smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC1CC([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000713984764 712475920 /nfs/dbraw/zinc/47/59/20/712475920.db2.gz NJUFNGDZFABTLC-UHFFFAOYSA-N 1 0 248.370 2.267 10 10 BECERO Cc1cc(Cl)c(Cl)c(C[NH3+])c1O ZINC000029225499 178060871 /nfs/dbraw/zinc/06/08/71/178060871.db2.gz FATRYTYIYRQJRH-UHFFFAOYSA-N 1 0 206.072 2.466 10 10 BECERO CCC(CC)N(C)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036194915 168369562 /nfs/dbraw/zinc/36/95/62/168369562.db2.gz MMZVSQMFXLRSRI-ZDUSSCGKSA-N 1 0 247.342 2.263 10 10 BECERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071300993 178802791 /nfs/dbraw/zinc/80/27/91/178802791.db2.gz SNMQJMKCXHUTSN-QMTHXVAHSA-N 1 0 235.327 2.122 10 10 BECERO Cc1ccc(Br)c([C@@H]([NH3+])CF)c1O ZINC000238532007 345071306 /nfs/dbraw/zinc/07/13/06/345071306.db2.gz MAZFIUIAORBNSM-ZETCQYMHSA-N 1 0 248.095 2.432 10 10 BECERO CNc1cc(Nc2ccc(N)cc2)[nH+]c(C)n1 ZINC000258665268 345785146 /nfs/dbraw/zinc/78/51/46/345785146.db2.gz HPDYLHXOWYPXRY-UHFFFAOYSA-N 1 0 229.287 2.153 10 10 BECERO Cc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000124561012 179079356 /nfs/dbraw/zinc/07/93/56/179079356.db2.gz POIFVGYWXHJZBJ-KBPBESRZSA-N 1 0 247.338 2.454 10 10 BECERO Cc1cccc(C[N@@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1O ZINC000226379620 179084118 /nfs/dbraw/zinc/08/41/18/179084118.db2.gz RHNPZSVRRYSPRG-JSGCOSHPSA-N 1 0 248.370 2.083 10 10 BECERO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1O ZINC000124703832 179100469 /nfs/dbraw/zinc/10/04/69/179100469.db2.gz UYFQDPPOLHJHSW-YPMHNXCESA-N 1 0 235.327 2.358 10 10 BECERO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1O ZINC000124815723 179101773 /nfs/dbraw/zinc/10/17/73/179101773.db2.gz QHQJOAWDEDELMV-QWHCGFSZSA-N 1 0 235.327 2.094 10 10 BECERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1C ZINC000089151248 191019377 /nfs/dbraw/zinc/01/93/77/191019377.db2.gz APNBLAOFLPWNQC-ZIAGYGMSSA-N 1 0 249.354 2.254 10 10 BECERO Nc1ccc(N(C2CC2)C2CCOCC2)cc1 ZINC000212797977 363119468 /nfs/dbraw/zinc/11/94/68/363119468.db2.gz PAIUGYCKRPJKCO-UHFFFAOYSA-N 1 0 232.327 2.417 10 10 BECERO C[NH2+]Cc1ccc(N(C)Cc2ccccn2)cc1 ZINC000036777854 188286476 /nfs/dbraw/zinc/28/64/76/188286476.db2.gz DRFGCYAWPPFJAR-UHFFFAOYSA-N 1 0 241.338 2.437 10 10 BECERO CCCC[N@H+](C)CCc1ccc(O)c(O)c1 ZINC000033826829 168774448 /nfs/dbraw/zinc/77/44/48/168774448.db2.gz CQZHJKYKNYLEQM-UHFFFAOYSA-N 1 0 223.316 2.372 10 10 BECERO CC[N@@H+]1CC[C@@]2(CCN(c3ccc(N)cc3)C2)C1 ZINC000584593275 358250859 /nfs/dbraw/zinc/25/08/59/358250859.db2.gz GRQRWEAGUFCPQM-OAHLLOKOSA-N 1 0 245.370 2.191 10 10 BECERO CCOC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050286922 358722162 /nfs/dbraw/zinc/72/21/62/358722162.db2.gz DXSGSRVWBKRANP-GFCCVEGCSA-N 1 0 248.370 2.194 10 10 BECERO Oc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132761331 358736238 /nfs/dbraw/zinc/73/62/38/358736238.db2.gz RUDZBBYUMQICIX-JSGCOSHPSA-N 1 0 233.311 2.146 10 10 BECERO Nc1ncccc1[C@@H]1CNc2ccccc2N1 ZINC000616689897 369112559 /nfs/dbraw/zinc/11/25/59/369112559.db2.gz LXISGNWRCGGOGJ-LBPRGKRZSA-N 1 0 226.283 2.243 10 10 BECERO Nc1ccc(CC[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000035677195 181705216 /nfs/dbraw/zinc/70/52/16/181705216.db2.gz IBUZVFLJILRXQX-HNNXBMFYSA-N 1 0 248.370 2.048 10 10 BECERO OCCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000193280414 183051705 /nfs/dbraw/zinc/05/17/05/183051705.db2.gz VDEYPRMYNVKWHM-UHFFFAOYSA-N 1 0 245.322 2.408 10 10 BECERO CCCN(C)c1ccc2c(c1)NC(=O)[C@H]2[NH2+]CC ZINC000036194642 169088567 /nfs/dbraw/zinc/08/85/67/169088567.db2.gz UXKZUFBZRDLLBK-ZDUSSCGKSA-N 1 0 247.342 2.136 10 10 BECERO Oc1ccc(C[NH2+]C2CCCCC2)c(O)c1O ZINC000083364811 183270186 /nfs/dbraw/zinc/27/01/86/183270186.db2.gz VKZLKZGYLFDQAO-UHFFFAOYSA-N 1 0 237.299 2.226 10 10 BECERO Oc1ccc(C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC000083373587 183270312 /nfs/dbraw/zinc/27/03/12/183270312.db2.gz QCGKYPQEANHQFH-UHFFFAOYSA-N 1 0 245.278 2.093 10 10 BECERO Oc1ccc(C[NH2+]CCc2cccs2)c(O)c1 ZINC000019948705 183270859 /nfs/dbraw/zinc/27/08/59/183270859.db2.gz BHHUHXJLARWBTH-UHFFFAOYSA-N 1 0 249.335 2.492 10 10 BECERO Oc1ccc(Cl)cc1C[NH2+]Cc1ncc[nH]1 ZINC000070819490 183273032 /nfs/dbraw/zinc/27/30/32/183273032.db2.gz RXICTUFROCSCQW-UHFFFAOYSA-N 1 0 237.690 2.059 10 10 BECERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cc(F)ccc1O ZINC000134243967 384344012 /nfs/dbraw/zinc/34/40/12/384344012.db2.gz QWLADICNYORNAB-SBMIAAHKSA-N 1 0 239.290 2.359 10 10 BECERO Cc1ccc(O)c(C[N@@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1 ZINC000217747100 385890786 /nfs/dbraw/zinc/89/07/86/385890786.db2.gz UZMDIQFLHZXZGU-JSGCOSHPSA-N 1 0 248.370 2.083 10 10 BECERO [NH3+]CCC[C@@H]([NH3+])c1c([O-])cc(Cl)cc1Cl ZINC000575439640 387126558 /nfs/dbraw/zinc/12/65/58/387126558.db2.gz SQSJHGODMTXYIS-MRVPVSSYSA-N 1 0 249.141 2.438 10 10 BECERO [NH3+]CCCC[C@H]([NH3+])c1cccc(Cl)c1[O-] ZINC000575440153 387127926 /nfs/dbraw/zinc/12/79/26/387127926.db2.gz KWSHCVFROUPUAL-JTQLQIEISA-N 1 0 228.723 2.174 10 10 BECERO [NH3+]CCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000575438336 387130103 /nfs/dbraw/zinc/13/01/03/387130103.db2.gz ITNSTIJAXFUDAR-VIFPVBQESA-N 1 0 249.141 2.438 10 10 BECERO Oc1ccccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000230316727 387261221 /nfs/dbraw/zinc/26/12/21/387261221.db2.gz MUYCQTDVTVLDJI-JSGCOSHPSA-N 1 0 233.311 2.049 10 10 BECERO Cc1cc(C[NH3+])ccc1N1CCCCC1 ZINC000037733141 132345286 /nfs/dbraw/zinc/34/52/86/132345286.db2.gz TYCSMOYBYZDOSX-UHFFFAOYSA-N 1 0 204.317 2.444 10 10 BECERO Cc1cc(C[NH3+])ccc1N1C[C@@H](C)OC[C@@H]1C ZINC000037733225 132345310 /nfs/dbraw/zinc/34/53/10/132345310.db2.gz OUTSNDSMNLFJAR-NWDGAFQWSA-N 1 0 234.343 2.067 10 10 BECERO CCO[C@@H]1CCCN(c2ccc(C[NH3+])cc2)C1 ZINC000042408121 132351575 /nfs/dbraw/zinc/35/15/75/132351575.db2.gz HCWBFXRYHVYWNO-CQSZACIVSA-N 1 0 234.343 2.151 10 10 BECERO CC1(C)[C@H]([NH2+]Cc2ccccc2O)[C@H]2CCO[C@H]21 ZINC000229012462 134437114 /nfs/dbraw/zinc/43/71/14/134437114.db2.gz AVXKSXVKZQUNDO-MRVWCRGKSA-N 1 0 247.338 2.295 10 10 BECERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1O ZINC000156082637 397754766 /nfs/dbraw/zinc/75/47/66/397754766.db2.gz ACQVJCBUKBIHOL-CQSZACIVSA-N 1 0 248.370 2.308 10 10 BECERO CC(C)OCCC[NH2+]Cc1cccc(O)c1O ZINC000041116695 167222816 /nfs/dbraw/zinc/22/28/16/167222816.db2.gz JUFYEYGMTUCBNM-UHFFFAOYSA-N 1 0 239.315 2.003 10 10 BECERO CC(C)[NH2+][C@H](C)Cc1ccc(O)c(O)c1 ZINC000005962974 167138553 /nfs/dbraw/zinc/13/85/53/167138553.db2.gz XHZUCIJXFFYRHC-SECBINFHSA-N 1 0 209.289 2.027 10 10 BECERO CC(C)[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000020523307 167381604 /nfs/dbraw/zinc/38/16/04/167381604.db2.gz UHXNGWYAJWIJKX-SECBINFHSA-N 1 0 209.289 2.232 10 10 BECERO CC1CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000135563512 168147146 /nfs/dbraw/zinc/14/71/46/168147146.db2.gz DRZRRFMJTJKVRV-UHFFFAOYSA-N 1 0 235.283 2.009 10 10 BECERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)COC)cc1 ZINC000042519043 170126284 /nfs/dbraw/zinc/12/62/84/170126284.db2.gz UPQGGAMXEJAKFO-LBPRGKRZSA-N 1 0 236.359 2.267 10 10 BECERO CCOCCC[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019962982 170381249 /nfs/dbraw/zinc/38/12/49/170381249.db2.gz RQHOFCMKSQSMHG-JTQLQIEISA-N 1 0 239.315 2.175 10 10 BECERO C[NH+](C)C(C)(C)CNc1ccc(N)cc1 ZINC000043411201 172398500 /nfs/dbraw/zinc/39/85/00/172398500.db2.gz UEDKZOJXZIMAAO-UHFFFAOYSA-N 1 0 207.321 2.021 10 10 BECERO COC[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551146 174548609 /nfs/dbraw/zinc/54/86/09/174548609.db2.gz OUPNIQPMDLKMRG-QMMMGPOBSA-N 1 0 229.707 2.170 10 10 BECERO COc1ccc(N2C[C@H](C)C[NH2+]C[C@H](C)C2)cc1 ZINC000049662805 175139351 /nfs/dbraw/zinc/13/93/51/175139351.db2.gz ZSXZEEVEDLBSEX-BETUJISGSA-N 1 0 248.370 2.377 10 10 BECERO COc1ccc(N2CCC[NH2+][C@H](C)CC2)cc1 ZINC000049662783 175139550 /nfs/dbraw/zinc/13/95/50/175139550.db2.gz JCNBBDVHGKGAKI-GFCCVEGCSA-N 1 0 234.343 2.274 10 10 BECERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000052270637 175160305 /nfs/dbraw/zinc/16/03/05/175160305.db2.gz XASUFKCOHVUPMO-VDDIYKPWSA-N 1 0 221.300 2.460 10 10 BECERO COc1cccc([C@H]2C[C@H](C)C[NH2+]2)c1O ZINC000003705246 175296779 /nfs/dbraw/zinc/29/67/79/175296779.db2.gz HXAWLLXWDLNMJH-WCBMZHEXSA-N 1 0 207.273 2.071 10 10 BECERO C[C@@H]1CCN(c2c(F)cc(C[NH3+])cc2F)C1 ZINC000062711602 176179804 /nfs/dbraw/zinc/17/98/04/176179804.db2.gz VXJFPPOZNDOVET-MRVPVSSYSA-N 1 0 226.270 2.270 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCCO[C@H](C)C2)cc1 ZINC000061919092 176318711 /nfs/dbraw/zinc/31/87/11/176318711.db2.gz XVQKTGIQVHZTDF-VXGBXAGGSA-N 1 0 234.343 2.322 10 10 BECERO C[C@@H]1CN(c2ccc(C[NH3+])c(Cl)c2)CCO1 ZINC000061845505 176319396 /nfs/dbraw/zinc/31/93/96/176319396.db2.gz ZAWPFIPYOVRGFI-SECBINFHSA-N 1 0 240.734 2.024 10 10 BECERO C[C@H]1CC[N@H+](CCc2ccc(N)cc2)C1 ZINC000040716979 177160998 /nfs/dbraw/zinc/16/09/98/177160998.db2.gz LRUSWXQCAIFTIK-NSHDSACASA-N 1 0 204.317 2.153 10 10 BECERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000156075628 177280804 /nfs/dbraw/zinc/28/08/04/177280804.db2.gz CIRLETGMTNOXEE-GXTWGEPZSA-N 1 0 246.354 2.061 10 10 BECERO CC[NH2+]Cc1ccc(N2CCO[C@H](CC)C2)cc1 ZINC000036770471 535478052 /nfs/dbraw/zinc/47/80/52/535478052.db2.gz DYWZLHVZJPDMFW-OAHLLOKOSA-N 1 0 248.370 2.411 10 10 BECERO CC(C)COc1ccc(N2CC[NH2+]CC2)cc1 ZINC000019688462 535227231 /nfs/dbraw/zinc/22/72/31/535227231.db2.gz WTCHFSROYLHHOK-UHFFFAOYSA-N 1 0 234.343 2.131 10 10 BECERO CC[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285753 535479855 /nfs/dbraw/zinc/47/98/55/535479855.db2.gz JAZZLDAQXWPZHZ-UHFFFAOYSA-N 1 0 204.317 2.179 10 10 BECERO CCOc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049694249 535734827 /nfs/dbraw/zinc/73/48/27/535734827.db2.gz UJHJXKPODQTDJD-RISCZKNCSA-N 1 0 234.343 2.259 10 10 BECERO CCOc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000043470506 535735440 /nfs/dbraw/zinc/73/54/40/535735440.db2.gz FVVFUBLGZULRJV-NSHDSACASA-N 1 0 220.316 2.013 10 10 BECERO CC[C@H]1CO[C@H](C)CN1c1ccc(C[NH3+])cc1 ZINC000036794465 536171663 /nfs/dbraw/zinc/17/16/63/536171663.db2.gz QVEIICLLWVPKHY-YPMHNXCESA-N 1 0 234.343 2.149 10 10 BECERO COc1ccc(N2CC[NH2+][C@H](C)C2)cc1Cl ZINC000071550339 536705676 /nfs/dbraw/zinc/70/56/76/536705676.db2.gz SKMQCAXKGIIJNB-SECBINFHSA-N 1 0 240.734 2.147 10 10 BECERO COc1ccc(O)c(C[NH2+]Cc2ccoc2)c1 ZINC000134650497 591945372 /nfs/dbraw/zinc/94/53/72/591945372.db2.gz BLYIJCLCDAMRJX-UHFFFAOYSA-N 1 0 233.267 2.284 10 10 BECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1 ZINC000040672733 636936133 /nfs/dbraw/zinc/93/61/33/636936133.db2.gz IJFHJRNTOZNNQL-CHWSQXEVSA-N 1 0 248.370 2.445 10 10 BECERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000049948920 643566993 /nfs/dbraw/zinc/56/69/93/643566993.db2.gz JXTFHXWDPSWNHN-CABCVRRESA-N 1 0 248.370 2.410 10 10 BECERO COC[C@@H](C)C[N@H+](C)Cc1ccccc1O ZINC000132958173 645856787 /nfs/dbraw/zinc/85/67/87/645856787.db2.gz NKKXXDWZSJRSDO-NSHDSACASA-N 1 0 223.316 2.107 10 10 BECERO COCC1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000713981549 712475977 /nfs/dbraw/zinc/47/59/77/712475977.db2.gz TWOCZMPYNHAPAU-KGPNIALWSA-N 1 0 247.338 2.394 10 10 BECERO Cc1cc(C[NH2+]C(C)C)ccc1N1CC[C@@H](O)C1 ZINC000061711149 178017463 /nfs/dbraw/zinc/01/74/63/178017463.db2.gz JTWXBTMFNJFYRV-CQSZACIVSA-N 1 0 248.370 2.064 10 10 BECERO Cc1cc(N2CCC[C@H]2C)ccc1C[NH3+] ZINC000050582733 178115581 /nfs/dbraw/zinc/11/55/81/178115581.db2.gz OHQWNWOBRJIYTI-LLVKDONJSA-N 1 0 204.317 2.442 10 10 BECERO Nc1ccc(CC2CCC([NH3+])CC2)cc1 ZINC000005161854 342759113 /nfs/dbraw/zinc/75/91/13/342759113.db2.gz NRVOGWCXEOJNFS-UHFFFAOYSA-N 1 0 204.317 2.329 10 10 BECERO CO[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146525680 342770711 /nfs/dbraw/zinc/77/07/11/342770711.db2.gz GEGHEJOSZOWZLU-BXUZGUMPSA-N 1 0 234.343 2.268 10 10 BECERO Cc1ccc(C)n1-c1ccc([C@@H](O)C[NH3+])cc1 ZINC000040539417 178508664 /nfs/dbraw/zinc/50/86/64/178508664.db2.gz NJMZGJNBGYRFBE-AWEZNQCLSA-N 1 0 230.311 2.086 10 10 BECERO [NH3+][C@H](CF)c1ccc(Br)cc1O ZINC000238684546 345108929 /nfs/dbraw/zinc/10/89/29/345108929.db2.gz KNIXWUQOLVUPFB-SSDOTTSWSA-N 1 0 234.068 2.124 10 10 BECERO Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1O ZINC000124833438 179094461 /nfs/dbraw/zinc/09/44/61/179094461.db2.gz AMUUFIXWXAMKMO-TZMCWYRMSA-N 1 0 249.354 2.341 10 10 BECERO Cc1cccc(C[NH2+]Cc2ccncc2)c1O ZINC000083356166 179096804 /nfs/dbraw/zinc/09/68/04/179096804.db2.gz YXYPZLCYMDFNIO-UHFFFAOYSA-N 1 0 228.295 2.385 10 10 BECERO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1O ZINC000124704220 179100693 /nfs/dbraw/zinc/10/06/93/179100693.db2.gz UYFQDPPOLHJHSW-DGCLKSJQSA-N 1 0 235.327 2.358 10 10 BECERO CN(c1ccc(C[NH3+])cc1)[C@H]1CCSC1 ZINC000037175488 187587311 /nfs/dbraw/zinc/58/73/11/187587311.db2.gz BILQIRZKPCIGEQ-LBPRGKRZSA-N 1 0 222.357 2.087 10 10 BECERO [O-]c1c(F)c(Br)ccc1[C@H]1CC[NH2+]1 ZINC000307346825 352101276 /nfs/dbraw/zinc/10/12/76/352101276.db2.gz PHXWUEVLVXJXFV-SSDOTTSWSA-N 1 0 246.079 2.328 10 10 BECERO CC(C)[N@H+](CCN(C)C)Cc1ccc(N)cc1 ZINC000035365365 188285595 /nfs/dbraw/zinc/28/55/95/188285595.db2.gz QPXQUDNYICVYKI-UHFFFAOYSA-N 1 0 235.375 2.041 10 10 BECERO COc1ccc([C@@H](C)[NH2+]C(C)C)c(O)c1 ZINC000020085546 188351405 /nfs/dbraw/zinc/35/14/05/188351405.db2.gz NRYHITMJUAARHW-SECBINFHSA-N 1 0 209.289 2.460 10 10 BECERO C[C@H]1[C@H](Sc2nccs2)CC[C@@H]1[NH3+] ZINC000252469267 363283488 /nfs/dbraw/zinc/28/34/88/363283488.db2.gz RAJIFKKGRZBQQU-GJMOJQLCSA-N 1 0 214.359 2.361 10 10 BECERO C[C@@H]1[C@H]([NH3+])CC[C@H]1Sc1nccs1 ZINC000252469266 363283512 /nfs/dbraw/zinc/28/35/12/363283512.db2.gz RAJIFKKGRZBQQU-BWZBUEFSSA-N 1 0 214.359 2.361 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190336800 357701256 /nfs/dbraw/zinc/70/12/56/357701256.db2.gz LESFUOJCEOUOSC-NFAWXSAZSA-N 1 0 247.338 2.358 10 10 BECERO [NH3+]CCCCCCc1ccc(O)c(O)c1 ZINC000032148112 181375584 /nfs/dbraw/zinc/37/55/84/181375584.db2.gz NWIYOMSIPUJBRM-UHFFFAOYSA-N 1 0 209.289 2.159 10 10 BECERO [NH3+]Cc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2)cc1 ZINC000072236207 181484944 /nfs/dbraw/zinc/48/49/44/181484944.db2.gz CZVNTXNZLHDIMM-XRGAULLZSA-N 1 0 240.350 2.404 10 10 BECERO Oc1ccc(C[NH2+]Cc2cccs2)cc1O ZINC000020138902 183270240 /nfs/dbraw/zinc/27/02/40/183270240.db2.gz VARSXUAMPUJSCG-UHFFFAOYSA-N 1 0 235.308 2.449 10 10 BECERO Oc1ccc(C[NH2+]CCc2cccs2)cc1O ZINC000019948625 183270428 /nfs/dbraw/zinc/27/04/28/183270428.db2.gz IWMNYJYXOGSFNE-UHFFFAOYSA-N 1 0 249.335 2.492 10 10 BECERO CCCN(c1ccc2c(c1)NC(=O)[C@H]2[NH3+])C(C)C ZINC000036194612 169182774 /nfs/dbraw/zinc/18/27/74/169182774.db2.gz ANBPAVDJURXTTN-ZDUSSCGKSA-N 1 0 247.342 2.263 10 10 BECERO CCC[NH2+][C@H]1c2ccc(N(C)CC)cc2NC1=O ZINC000036194520 169281269 /nfs/dbraw/zinc/28/12/69/169281269.db2.gz CXRQIAQULJTNDQ-ZDUSSCGKSA-N 1 0 247.342 2.136 10 10 BECERO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCO1 ZINC000226584561 386337443 /nfs/dbraw/zinc/33/74/43/386337443.db2.gz CXDAKJQUAHJQPX-TVQRCGJNSA-N 1 0 239.290 2.188 10 10 BECERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000369214509 387034342 /nfs/dbraw/zinc/03/43/42/387034342.db2.gz LFRRRYHMZMXKLD-GXTWGEPZSA-N 1 0 247.338 2.311 10 10 BECERO COc1ccc([C@H]([NH3+])CC(F)F)c(O)c1 ZINC000575437276 387107074 /nfs/dbraw/zinc/10/70/74/387107074.db2.gz CERYERXEIPEJDX-MRVPVSSYSA-N 1 0 217.215 2.056 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316097 387261810 /nfs/dbraw/zinc/26/18/10/387261810.db2.gz PWFQNVAPYKHMRD-UKRRQHHQSA-N 1 0 247.338 2.358 10 10 BECERO CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1O ZINC000367713017 388567447 /nfs/dbraw/zinc/56/74/47/388567447.db2.gz PGTWBHAFMUPIOK-FQUUOJAGSA-N 1 0 247.338 2.325 10 10 BECERO CCCC[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000008030939 132318582 /nfs/dbraw/zinc/31/85/82/132318582.db2.gz UFVUOUCMEATLAN-UHFFFAOYSA-N 1 0 233.359 2.191 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCO[C@@H](C)C2)c(F)c1 ZINC000019872127 132328479 /nfs/dbraw/zinc/32/84/79/132328479.db2.gz JWGNZFARTRPQGP-VHSXEESVSA-N 1 0 238.306 2.071 10 10 BECERO Cc1cc(N2CCCCC2)ccc1C[NH3+] ZINC000050581472 132359323 /nfs/dbraw/zinc/35/93/23/132359323.db2.gz MLGLXQBJMMXRIB-UHFFFAOYSA-N 1 0 204.317 2.444 10 10 BECERO C[C@@H]1CCCCN1c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000057579809 132365836 /nfs/dbraw/zinc/36/58/36/132365836.db2.gz PIKGCJHOAHRMBZ-NOZJJQNGSA-N 1 0 245.326 2.017 10 10 BECERO Cc1cc(N2CC[NH2+]CC2)ccc1OCC1CC1 ZINC000063063278 132388420 /nfs/dbraw/zinc/38/84/20/132388420.db2.gz CPOVVHJPKMQFLU-UHFFFAOYSA-N 1 0 246.354 2.193 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249781436 135045265 /nfs/dbraw/zinc/04/52/65/135045265.db2.gz LESFUOJCEOUOSC-GZBFAFLISA-N 1 0 247.338 2.358 10 10 BECERO CC(C)Oc1ccc(N2CC[NH2+]C[C@H]2C)cc1 ZINC000041264351 167295879 /nfs/dbraw/zinc/29/58/79/167295879.db2.gz YZEHNQCMQUOKDU-GFCCVEGCSA-N 1 0 234.343 2.272 10 10 BECERO CC1CC[NH+](Cc2cc(N)ccc2O)CC1 ZINC000037271961 168184993 /nfs/dbraw/zinc/18/49/93/168184993.db2.gz XYRDVXUGMHYTRH-UHFFFAOYSA-N 1 0 220.316 2.206 10 10 BECERO CCN(CCO)c1ccc(C[NH2+]C(C)C)cc1 ZINC000037900372 169860719 /nfs/dbraw/zinc/86/07/19/169860719.db2.gz VUVRIFHSLCEFCN-UHFFFAOYSA-N 1 0 236.359 2.003 10 10 BECERO CC[NH2+]Cc1ccc(N(CCO)C(C)C)cc1 ZINC000042480219 170127403 /nfs/dbraw/zinc/12/74/03/170127403.db2.gz GWZPLRFPYNSNRN-UHFFFAOYSA-N 1 0 236.359 2.003 10 10 BECERO CC[C@H](C)[N@H+](C)Cc1cc(N)ccc1O ZINC000037273407 171307815 /nfs/dbraw/zinc/30/78/15/171307815.db2.gz ZBQNRFXNHJIFAH-VIFPVBQESA-N 1 0 208.305 2.205 10 10 BECERO CC[C@H](C)[NH2+]CCOc1ccc(N)cc1 ZINC000041217969 171340659 /nfs/dbraw/zinc/34/06/59/171340659.db2.gz AEYFMDLKMYTFBJ-JTQLQIEISA-N 1 0 208.305 2.036 10 10 BECERO COc1ccc(C[NH2+]C2CCCC2)c(O)c1 ZINC000040905608 175105744 /nfs/dbraw/zinc/10/57/44/175105744.db2.gz OKCZHQQNIVPYLN-UHFFFAOYSA-N 1 0 221.300 2.433 10 10 BECERO COc1ccc(C[NH2+]Cc2cccnc2)c(O)c1 ZINC000040905960 175107993 /nfs/dbraw/zinc/10/79/93/175107993.db2.gz SCJYBPUDWUZYTD-UHFFFAOYSA-N 1 0 244.294 2.086 10 10 BECERO COc1ccc(N(C)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000049969354 175136130 /nfs/dbraw/zinc/13/61/30/175136130.db2.gz QTJNIPCOEFKNEC-QWHCGFSZSA-N 1 0 220.316 2.011 10 10 BECERO COc1ccc(N(CCC[NH3+])CC(F)F)cc1 ZINC000037755628 175137091 /nfs/dbraw/zinc/13/70/91/175137091.db2.gz XEHDIHXMMYFMKO-UHFFFAOYSA-N 1 0 244.285 2.116 10 10 BECERO COc1ccc(N(CCC[NH3+])CC2CC2)cc1 ZINC000036765317 175137336 /nfs/dbraw/zinc/13/73/36/175137336.db2.gz GCHHWCAYFLRVNC-UHFFFAOYSA-N 1 0 234.343 2.260 10 10 BECERO COc1cccc(C[NH2+]C(C)(C)C)c1O ZINC000021960142 175262953 /nfs/dbraw/zinc/26/29/53/175262953.db2.gz AWJRSCDMXXICGD-UHFFFAOYSA-N 1 0 209.289 2.289 10 10 BECERO C[C@@H]1C[NH+](CCCc2ccc(N)cc2)C[C@@H](C)O1 ZINC000058267406 176289479 /nfs/dbraw/zinc/28/94/79/176289479.db2.gz WZHUIGKWESKDTF-CHWSQXEVSA-N 1 0 248.370 2.311 10 10 BECERO C[C@H]1CCC[C@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000053115639 177143378 /nfs/dbraw/zinc/14/33/78/177143378.db2.gz MXMTUVUOVLKPPM-WFASDCNBSA-N 1 0 249.354 2.423 10 10 BECERO C[C@@H]1C[N@@H+](CCCc2ccc(N)cc2)C[C@H](C)O1 ZINC000058267401 177250290 /nfs/dbraw/zinc/25/02/90/177250290.db2.gz WZHUIGKWESKDTF-BETUJISGSA-N 1 0 248.370 2.311 10 10 BECERO CC[NH2+]Cc1ccc(N2CCC[C@H](O)C2)c(C)c1 ZINC000050561419 535478790 /nfs/dbraw/zinc/47/87/90/535478790.db2.gz KPYNFPXVZFHNOM-AWEZNQCLSA-N 1 0 248.370 2.066 10 10 BECERO CC[NH2+]Cc1ccc(N2CCO[C@@H](CC)C2)cc1 ZINC000036770472 535478810 /nfs/dbraw/zinc/47/88/10/535478810.db2.gz DYWZLHVZJPDMFW-HNNXBMFYSA-N 1 0 248.370 2.411 10 10 BECERO CCOc1ccc(N2CC[NH2+][C@@H](CC)C2)cc1 ZINC000016944844 535734623 /nfs/dbraw/zinc/73/46/23/535734623.db2.gz ANXHXQPXYRJJQO-LBPRGKRZSA-N 1 0 234.343 2.274 10 10 BECERO CCOc1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058445780 535735064 /nfs/dbraw/zinc/73/50/64/535735064.db2.gz COYQPWBARJVKQN-UHFFFAOYSA-N 1 0 234.343 2.274 10 10 BECERO CCOc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000049694250 535735300 /nfs/dbraw/zinc/73/53/00/535735300.db2.gz UJHJXKPODQTDJD-BXUZGUMPSA-N 1 0 234.343 2.259 10 10 BECERO CCN(CC)c1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120396511 589409559 /nfs/dbraw/zinc/40/95/59/589409559.db2.gz UXLBQIVVBIKBBF-UHFFFAOYSA-N 1 0 248.370 2.147 10 10 BECERO COC[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000132564794 591720305 /nfs/dbraw/zinc/72/03/05/591720305.db2.gz OWSLUHGNOJXKKZ-VIFPVBQESA-N 1 0 243.734 2.479 10 10 BECERO CC(C)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879655 637391143 /nfs/dbraw/zinc/39/11/43/637391143.db2.gz ZQFKCZWVHKMSIK-VIFPVBQESA-N 1 0 237.299 2.255 10 10 BECERO COC1CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230689668 641087699 /nfs/dbraw/zinc/08/76/99/641087699.db2.gz LDXXQOWTPHATTK-UHFFFAOYSA-N 1 0 241.718 2.313 10 10 BECERO CCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000044688681 643548036 /nfs/dbraw/zinc/54/80/36/643548036.db2.gz PDIYSYCEVSBZRQ-QWRGUYRKSA-N 1 0 223.316 2.468 10 10 BECERO CC[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1O ZINC000705187815 712125607 /nfs/dbraw/zinc/12/56/07/712125607.db2.gz RDNQDNQMYNGAHF-GCZXYKMCSA-N 1 0 235.327 2.204 10 10 BECERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1C ZINC000037321337 712568496 /nfs/dbraw/zinc/56/84/96/712568496.db2.gz PFPRFRSMUJDYHT-KBPBESRZSA-N 1 0 249.354 2.397 10 10 BECERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1C ZINC000037321336 712568710 /nfs/dbraw/zinc/56/87/10/712568710.db2.gz PFPRFRSMUJDYHT-KGLIPLIRSA-N 1 0 249.354 2.397 10 10 BECERO Cc1cc(N2CCC[C@@H]2CCCO)ccc1C[NH3+] ZINC000052761664 178114543 /nfs/dbraw/zinc/11/45/43/178114543.db2.gz HZUNJEYAUSSXBX-CQSZACIVSA-N 1 0 248.370 2.195 10 10 BECERO CO[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146525087 342770701 /nfs/dbraw/zinc/77/07/01/342770701.db2.gz GEGHEJOSZOWZLU-FZMZJTMJSA-N 1 0 234.343 2.268 10 10 BECERO c1csc(SC[C@H]2CCCC[NH2+]2)n1 ZINC000043495454 343475261 /nfs/dbraw/zinc/47/52/61/343475261.db2.gz ZREYOJUCZVXTCJ-MRVPVSSYSA-N 1 0 214.359 2.377 10 10 BECERO COc1ccc(C[NH2+][C@H]2CCO[C@H]2C)cc1C ZINC000120837747 187294380 /nfs/dbraw/zinc/29/43/80/187294380.db2.gz NXFQXZZAQMYTMT-AAEUAGOBSA-N 1 0 235.327 2.271 10 10 BECERO CN(C)c1ccc([C@H]([NH3+])CF)c(Cl)c1 ZINC000238314933 345021320 /nfs/dbraw/zinc/02/13/20/345021320.db2.gz YXLVXGUWECWIMU-SNVBAGLBSA-N 1 0 216.687 2.375 10 10 BECERO CC(C)[C@@H]([NH3+])c1ccc(N2CCOCC2)cc1 ZINC000115632098 345772023 /nfs/dbraw/zinc/77/20/23/345772023.db2.gz GGAIGNKYDVBTIS-CQSZACIVSA-N 1 0 234.343 2.179 10 10 BECERO CCOC(=O)[n+]1cccc2ccccc21 ZINC000143187212 345893051 /nfs/dbraw/zinc/89/30/51/345893051.db2.gz GECQNZHNZXJMST-UHFFFAOYSA-N 1 0 202.233 2.132 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000124815001 179098977 /nfs/dbraw/zinc/09/89/77/179098977.db2.gz QHQJOAWDEDELMV-OLZOCXBDSA-N 1 0 235.327 2.094 10 10 BECERO C[NH2+]Cc1ccc(N2CCCC2)cc1C ZINC000050580929 188328173 /nfs/dbraw/zinc/32/81/73/188328173.db2.gz FWLDZMLSHOEDSB-UHFFFAOYSA-N 1 0 204.317 2.315 10 10 BECERO [NH3+]Cc1ccc(N2CCC2)c(Br)c1 ZINC000306520005 360343878 /nfs/dbraw/zinc/34/38/78/360343878.db2.gz DCFVRWLDXPGIIR-UHFFFAOYSA-N 1 0 241.132 2.118 10 10 BECERO CN(C)c1cc(Br)c(C[NH3+])cc1F ZINC000306509368 360324898 /nfs/dbraw/zinc/32/48/98/360324898.db2.gz BRJHBMSJLYIMKC-UHFFFAOYSA-N 1 0 247.111 2.113 10 10 BECERO [NH3+][C@H](CF)c1cc(Br)ccc1O ZINC000238683788 361178560 /nfs/dbraw/zinc/17/85/60/361178560.db2.gz UETZHZRWXYESKC-SSDOTTSWSA-N 1 0 234.068 2.124 10 10 BECERO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(N)cc2)C1 ZINC000113337348 370403441 /nfs/dbraw/zinc/40/34/41/370403441.db2.gz ADEHHNQEZMQYGS-SWLSCSKDSA-N 1 0 245.370 2.332 10 10 BECERO Oc1ccc(C[NH2+]CCc2ccco2)c(O)c1 ZINC000035661751 183271024 /nfs/dbraw/zinc/27/10/24/183271024.db2.gz DSNNKCAMFFRJBP-UHFFFAOYSA-N 1 0 233.267 2.023 10 10 BECERO CCCN(CC)c1ccc2c(c1)NC(=O)[C@H]2[NH2+]C ZINC000036194603 169133655 /nfs/dbraw/zinc/13/36/55/169133655.db2.gz JOGIXLVAEGNYGR-ZDUSSCGKSA-N 1 0 247.342 2.136 10 10 BECERO CCCN(CC)c1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000102453768 169133753 /nfs/dbraw/zinc/13/37/53/169133753.db2.gz JOGIXLVAEGNYGR-CYBMUJFWSA-N 1 0 247.342 2.136 10 10 BECERO Oc1cccc(C[NH2+]Cc2cccs2)c1O ZINC000041049394 183290736 /nfs/dbraw/zinc/29/07/36/183290736.db2.gz FBRJLFWZRQLIQX-UHFFFAOYSA-N 1 0 235.308 2.449 10 10 BECERO CCC[N@H+](CCN(C)C)Cc1ccc(N)cc1 ZINC000035364783 169157166 /nfs/dbraw/zinc/15/71/66/169157166.db2.gz LCFFLACQHRGZDY-UHFFFAOYSA-N 1 0 235.375 2.042 10 10 BECERO Oc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077205535 183304071 /nfs/dbraw/zinc/30/40/71/183304071.db2.gz XCKVJFRDENGUBL-TZMCWYRMSA-N 1 0 235.327 2.033 10 10 BECERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1O ZINC000134236811 384341066 /nfs/dbraw/zinc/34/10/66/384341066.db2.gz WLJRWYKTQJNOSY-JBLDHEPKSA-N 1 0 221.300 2.220 10 10 BECERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000052274858 385270948 /nfs/dbraw/zinc/27/09/48/385270948.db2.gz CNVCEUDHYZFQEI-SKDRFNHKSA-N 1 0 203.285 2.120 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316099 387260918 /nfs/dbraw/zinc/26/09/18/387260918.db2.gz PWFQNVAPYKHMRD-DZGCQCFKSA-N 1 0 247.338 2.358 10 10 BECERO CCN(CC)c1ccc([C@H](C[NH3+])N(C)C)cc1 ZINC000039789108 388410762 /nfs/dbraw/zinc/41/07/62/388410762.db2.gz VHVVIKIIYGVKII-AWEZNQCLSA-N 1 0 235.375 2.094 10 10 BECERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296946167 388426174 /nfs/dbraw/zinc/42/61/74/388426174.db2.gz QPRQCCBWWICCPC-DLOVCJGASA-N 1 0 233.311 2.147 10 10 BECERO CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020084181 132329900 /nfs/dbraw/zinc/32/99/00/132329900.db2.gz AEHKHIHMGFQZEM-UHFFFAOYSA-N 1 0 248.370 2.411 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCOC[C@@H]2C)c(F)c1 ZINC000035776814 132339308 /nfs/dbraw/zinc/33/93/08/132339308.db2.gz QDGDCAOWXVBJIH-VHSXEESVSA-N 1 0 238.306 2.071 10 10 BECERO C[C@H]([NH3+])c1ccc(N2CCOCC2)c(Cl)c1 ZINC000058826282 132368525 /nfs/dbraw/zinc/36/85/25/132368525.db2.gz IMOGLFQWFYYGEB-VIFPVBQESA-N 1 0 240.734 2.196 10 10 BECERO CCN1CCCc2cc([C@H](C)[NH3+])ccc21 ZINC000011730030 132438882 /nfs/dbraw/zinc/43/88/82/132438882.db2.gz XTPUPUNSEGHUTJ-JTQLQIEISA-N 1 0 204.317 2.479 10 10 BECERO CC(C)[NH2+]Cc1ccc(N(CCO)C2CC2)cc1 ZINC000042480333 167118875 /nfs/dbraw/zinc/11/88/75/167118875.db2.gz ZHKOZPUOQCWSIA-UHFFFAOYSA-N 1 0 248.370 2.146 10 10 BECERO CC(C)[C@@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000036194897 167370250 /nfs/dbraw/zinc/37/02/50/167370250.db2.gz CUYBIMIGWGCMOL-NOZJJQNGSA-N 1 0 247.342 2.119 10 10 BECERO CC[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000040905605 171343338 /nfs/dbraw/zinc/34/33/38/171343338.db2.gz QPVBUGNWCRXHNZ-VIFPVBQESA-N 1 0 209.289 2.289 10 10 BECERO C[NH2+]Cc1cc(F)c(N(C)C2CC2)c(F)c1 ZINC000062710140 173387212 /nfs/dbraw/zinc/38/72/12/173387212.db2.gz PPHBDPFVAKWALY-UHFFFAOYSA-N 1 0 226.270 2.283 10 10 BECERO COCCN(c1ccc([C@@H](C)[NH3+])cc1)C1CC1 ZINC000042518535 174301843 /nfs/dbraw/zinc/30/18/43/174301843.db2.gz IBROYGGTYLAGMH-LLVKDONJSA-N 1 0 234.343 2.322 10 10 BECERO COCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C1CC1 ZINC000042613787 174302455 /nfs/dbraw/zinc/30/24/55/174302455.db2.gz LSOGMCGIICKGRB-LBPRGKRZSA-N 1 0 248.370 2.397 10 10 BECERO COc1ccc(N(C)[C@@H](C[NH3+])c2ccoc2)cc1 ZINC000063047952 175136173 /nfs/dbraw/zinc/13/61/73/175136173.db2.gz QKVNLDFCVUPQLX-AWEZNQCLSA-N 1 0 246.310 2.424 10 10 BECERO COc1ccc(N(C)[C@H](C[NH3+])c2ccoc2)cc1 ZINC000063047953 175136680 /nfs/dbraw/zinc/13/66/80/175136680.db2.gz QKVNLDFCVUPQLX-CQSZACIVSA-N 1 0 246.310 2.424 10 10 BECERO COc1ccc(N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000011891641 175139891 /nfs/dbraw/zinc/13/98/91/175139891.db2.gz VUSDKZMZRYMYEM-VIFPVBQESA-N 1 0 240.734 2.134 10 10 BECERO COc1ccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000061569211 175140118 /nfs/dbraw/zinc/14/01/18/175140118.db2.gz OHCNYIPVQSCHMY-YHWZYXNKSA-N 1 0 246.354 2.462 10 10 BECERO C[C@@H]1CCCN1c1ccc(C[NH3+])cc1F ZINC000037909607 176111363 /nfs/dbraw/zinc/11/13/63/176111363.db2.gz BUYHVHOUVGOKCE-SECBINFHSA-N 1 0 208.280 2.273 10 10 BECERO C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037910262 177111577 /nfs/dbraw/zinc/11/15/77/177111577.db2.gz STYIDRPZDOTZHU-WFASDCNBSA-N 1 0 247.386 2.237 10 10 BECERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000093606551 177299214 /nfs/dbraw/zinc/29/92/14/177299214.db2.gz DKFCUYFJDMIVMH-BETUJISGSA-N 1 0 248.370 2.362 10 10 BECERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000052269294 177385475 /nfs/dbraw/zinc/38/54/75/177385475.db2.gz CXMYJFFBZIQBKD-GXFFZTMASA-N 1 0 204.317 2.251 10 10 BECERO CC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000034823293 535479115 /nfs/dbraw/zinc/47/91/15/535479115.db2.gz RPMUBCNIYYYSCB-CHWSQXEVSA-N 1 0 248.370 2.410 10 10 BECERO CC[C@H]1CN(c2ccc(OC)cc2)[C@H](C)C[NH2+]1 ZINC000083361357 536160423 /nfs/dbraw/zinc/16/04/23/536160423.db2.gz IADNGVMJIOOZHC-NEPJUHHUSA-N 1 0 234.343 2.272 10 10 BECERO C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)[C@@H](C)C1 ZINC000049693933 536378603 /nfs/dbraw/zinc/37/86/03/536378603.db2.gz XRTSPUFUFMXTKW-NWDGAFQWSA-N 1 0 234.343 2.272 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000049710992 536706917 /nfs/dbraw/zinc/70/69/17/536706917.db2.gz UBJZIBSCKWYFHQ-UWVGGRQHSA-N 1 0 238.306 2.150 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000049710972 536707358 /nfs/dbraw/zinc/70/73/58/536707358.db2.gz CZPQERYCKVGVEF-CABZTGNLSA-N 1 0 238.306 2.008 10 10 BECERO CC[C@@H]([NH3+])c1cc(Cl)cc(OC)c1O ZINC000757142815 582523029 /nfs/dbraw/zinc/52/30/29/582523029.db2.gz DEHAUCFBTJNIOP-MRVPVSSYSA-N 1 0 215.680 2.464 10 10 BECERO Cc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1O ZINC000124694905 590075742 /nfs/dbraw/zinc/07/57/42/590075742.db2.gz WYWWKEFQQZMUKE-ZDUSSCGKSA-N 1 0 235.327 2.359 10 10 BECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1 ZINC000040672735 636935120 /nfs/dbraw/zinc/93/51/20/636935120.db2.gz IJFHJRNTOZNNQL-OLZOCXBDSA-N 1 0 248.370 2.445 10 10 BECERO COC[C@H](C)C[N@H+](C)Cc1ccccc1O ZINC000132958409 645857138 /nfs/dbraw/zinc/85/71/38/645857138.db2.gz NKKXXDWZSJRSDO-LLVKDONJSA-N 1 0 223.316 2.107 10 10 BECERO Nc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000048895890 983236874 /nfs/dbraw/zinc/23/68/74/983236874.db2.gz CAPPURAALHJHNX-UHFFFAOYSA-N 1 0 222.357 2.208 10 10 BECERO COc1ccc(C[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000040906145 1171157197 /nfs/dbraw/zinc/15/71/97/1171157197.db2.gz ZFQVHUNRWGPDGB-SECBINFHSA-N 1 0 221.300 2.289 10 10 BECERO Cc1cc(C[NH2+]CCO)c(C)n1-c1ccccc1 ZINC000036923325 178021289 /nfs/dbraw/zinc/02/12/89/178021289.db2.gz AVRVEAXDWLWIHW-UHFFFAOYSA-N 1 0 244.338 2.176 10 10 BECERO Cc1cc(N(C)C[C@@H]2CCCO2)ccc1C[NH3+] ZINC000050583517 178098528 /nfs/dbraw/zinc/09/85/28/178098528.db2.gz OXSLCBXNCUBNEL-AWEZNQCLSA-N 1 0 234.343 2.069 10 10 BECERO Cc1cc2c(ccc(O)c2C[NH+](C)C)n1C ZINC000039110003 178277701 /nfs/dbraw/zinc/27/77/01/178277701.db2.gz XUUTUARTXYDRFI-UHFFFAOYSA-N 1 0 218.300 2.254 10 10 BECERO CO[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146525486 343302243 /nfs/dbraw/zinc/30/22/43/343302243.db2.gz GEGHEJOSZOWZLU-SMDDNHRTSA-N 1 0 234.343 2.268 10 10 BECERO c1csc(SCC2CC[NH2+]CC2)n1 ZINC000043498250 343475947 /nfs/dbraw/zinc/47/59/47/343475947.db2.gz IEQVVBIHISMSCJ-UHFFFAOYSA-N 1 0 214.359 2.235 10 10 BECERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccccc1O ZINC000049195479 187270593 /nfs/dbraw/zinc/27/05/93/187270593.db2.gz GDDCEMVBPCHARH-ZDUSSCGKSA-N 1 0 236.359 2.068 10 10 BECERO Cc1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000369212714 179077518 /nfs/dbraw/zinc/07/75/18/179077518.db2.gz COOCAWAOUFCIHH-UONOGXRCSA-N 1 0 247.338 2.311 10 10 BECERO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000077204184 191006073 /nfs/dbraw/zinc/00/60/73/191006073.db2.gz YUCCZJZUFGMHCE-TZMCWYRMSA-N 1 0 249.354 2.341 10 10 BECERO Cc1nccc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000038037465 180190584 /nfs/dbraw/zinc/19/05/84/180190584.db2.gz XQPBAEPOJUUODA-JTQLQIEISA-N 1 0 243.310 2.341 10 10 BECERO C[NH2+]Cc1ccc(N2CCC2)cc1Cl ZINC000307535967 353081930 /nfs/dbraw/zinc/08/19/30/353081930.db2.gz KITYFLFYHGHIEY-UHFFFAOYSA-N 1 0 210.708 2.270 10 10 BECERO CN(C)c1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000036805687 188278761 /nfs/dbraw/zinc/27/87/61/188278761.db2.gz KEJHTENCJKOHAA-UHFFFAOYSA-N 1 0 218.222 2.230 10 10 BECERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000231673447 353641975 /nfs/dbraw/zinc/64/19/75/353641975.db2.gz ZECVCCDJVOXABT-MWLCHTKSSA-N 1 0 249.310 2.399 10 10 BECERO COC(=O)C(C=Cc1ccccc1Cl)[N+]#N ZINC000584610238 358273258 /nfs/dbraw/zinc/27/32/58/358273258.db2.gz QMYSANZDVCGLAR-VOTSOKGWSA-N 1 0 236.658 2.197 10 10 BECERO CCCCC(=O)C([N+]#N)c1ccccc1 ZINC000584616478 358281459 /nfs/dbraw/zinc/28/14/59/358281459.db2.gz KYQRQBQGNPLWQT-UHFFFAOYSA-N 1 0 202.257 2.465 10 10 BECERO Oc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000132761561 358736379 /nfs/dbraw/zinc/73/63/79/358736379.db2.gz RUDZBBYUMQICIX-GXTWGEPZSA-N 1 0 233.311 2.146 10 10 BECERO Oc1ccc(C[NH2+]Cc2cccs2)c(O)c1 ZINC000020138961 183270621 /nfs/dbraw/zinc/27/06/21/183270621.db2.gz LCNCUGPMUMYBLQ-UHFFFAOYSA-N 1 0 235.308 2.449 10 10 BECERO Oc1cccc(C[NH2+]CCc2ccsc2)c1O ZINC000042600237 183288889 /nfs/dbraw/zinc/28/88/89/183288889.db2.gz XMQAGMLCZDTFPO-UHFFFAOYSA-N 1 0 249.335 2.492 10 10 BECERO Oc1ccccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368528183 183300981 /nfs/dbraw/zinc/30/09/81/183300981.db2.gz OJGTULFRMMYFCY-QWHCGFSZSA-N 1 0 233.311 2.003 10 10 BECERO CCCN(c1ccc2c(c1)NC(=O)[C@@H]2[NH3+])C1CC1 ZINC000102453820 169182201 /nfs/dbraw/zinc/18/22/01/169182201.db2.gz GIKHQCSWOMCZPZ-CYBMUJFWSA-N 1 0 245.326 2.017 10 10 BECERO CCC[NH2+][C@@H]1c2ccc(N(C)CC)cc2NC1=O ZINC000102453620 169290668 /nfs/dbraw/zinc/29/06/68/169290668.db2.gz CXRQIAQULJTNDQ-CYBMUJFWSA-N 1 0 247.342 2.136 10 10 BECERO CCC[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000037240129 169291361 /nfs/dbraw/zinc/29/13/61/169291361.db2.gz NLDOASBYSIYLIB-LBPRGKRZSA-N 1 0 234.343 2.274 10 10 BECERO C[NH+](C)C[C@@H]1CCCc2c(O)c(O)ccc21 ZINC000029207863 385025567 /nfs/dbraw/zinc/02/55/67/385025567.db2.gz QXIMLJZKBKQQJV-VIFPVBQESA-N 1 0 221.300 2.079 10 10 BECERO Cc1ccc([C@@H]([NH3+])CC(F)F)c(O)c1 ZINC000575437753 387110491 /nfs/dbraw/zinc/11/04/91/387110491.db2.gz SJOWIRQCJLLISO-QMMMGPOBSA-N 1 0 201.216 2.356 10 10 BECERO Cc1cc(F)cc([C@H]([NH3+])CCF)c1O ZINC000575439473 387123905 /nfs/dbraw/zinc/12/39/05/387123905.db2.gz NGAVBSRXXWNGBR-SECBINFHSA-N 1 0 201.216 2.199 10 10 BECERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1nccs1 ZINC000040677148 388017577 /nfs/dbraw/zinc/01/75/77/388017577.db2.gz OPVBRCRXGXOUEF-YUMQZZPRSA-N 1 0 214.359 2.363 10 10 BECERO COc1ccc(O)c([C@@H]([NH3+])CC(F)F)c1 ZINC000575437390 388621364 /nfs/dbraw/zinc/62/13/64/388621364.db2.gz DOWDVACPPYSQQW-QMMMGPOBSA-N 1 0 217.215 2.056 10 10 BECERO Cc1ccc([C@H](C)[NH2+]CC2CC(O)C2)c(O)c1 ZINC000091538894 388766858 /nfs/dbraw/zinc/76/68/58/388766858.db2.gz BFBRQIRBNAUQMO-UNXYVOJBSA-N 1 0 235.327 2.122 10 10 BECERO C[C@@H]1COCCN1c1ccc(C[NH2+]C2CC2)cc1 ZINC000035777792 132339464 /nfs/dbraw/zinc/33/94/64/132339464.db2.gz MOYCZIOKSCUIPB-GFCCVEGCSA-N 1 0 246.354 2.164 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C[C@H]1C ZINC000049693920 132356446 /nfs/dbraw/zinc/35/64/46/132356446.db2.gz UOTKEVQPOATGHN-RISCZKNCSA-N 1 0 234.343 2.129 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC)c(C)c2)C[C@H]1C ZINC000049713974 132357922 /nfs/dbraw/zinc/35/79/22/132357922.db2.gz QNPZOKNELVGZLI-OCCSQVGLSA-N 1 0 248.370 2.438 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249781432 135045599 /nfs/dbraw/zinc/04/55/99/135045599.db2.gz LESFUOJCEOUOSC-GUTXKFCHSA-N 1 0 247.338 2.358 10 10 BECERO CC[NH+](CC)C[C@@H]1CCc2c1ccc(O)c2O ZINC000029209064 169786610 /nfs/dbraw/zinc/78/66/10/169786610.db2.gz GZWKMVRLWNTOER-JTQLQIEISA-N 1 0 235.327 2.469 10 10 BECERO CC[NH2+]C[C@@H]1CCCc2c(O)c(O)ccc21 ZINC000029207575 170120386 /nfs/dbraw/zinc/12/03/86/170120386.db2.gz KHRKCQJGDMFZPA-VIFPVBQESA-N 1 0 221.300 2.127 10 10 BECERO CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000076274256 170125414 /nfs/dbraw/zinc/12/54/14/170125414.db2.gz FOPMKPNGUTWMIK-UHFFFAOYSA-N 1 0 215.680 2.164 10 10 BECERO CC[NH2+]Cc1ccc(N(C)CCCOC)cc1 ZINC000062033056 170126815 /nfs/dbraw/zinc/12/68/15/170126815.db2.gz AQEVWHOTBWWDNJ-UHFFFAOYSA-N 1 0 236.359 2.269 10 10 BECERO CCOCCC[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000019962943 170381109 /nfs/dbraw/zinc/38/11/09/170381109.db2.gz VMESZSSXGFZSLC-JTQLQIEISA-N 1 0 239.315 2.175 10 10 BECERO CCOCCN(CC)c1ccc(C[NH3+])cc1F ZINC000111116260 170396226 /nfs/dbraw/zinc/39/62/26/170396226.db2.gz DYNXFUFNHYPRBU-UHFFFAOYSA-N 1 0 240.322 2.147 10 10 BECERO C[NH2+]Cc1cc(F)c(N2CCCC2)c(F)c1 ZINC000062708946 173386903 /nfs/dbraw/zinc/38/69/03/173386903.db2.gz UBMHSJIWDHMLPN-UHFFFAOYSA-N 1 0 226.270 2.284 10 10 BECERO C[NH2+]Cc1ccc(N2CCCSCC2)cc1 ZINC000042444344 173389087 /nfs/dbraw/zinc/38/90/87/173389087.db2.gz SNLNBDMPQDGRIP-UHFFFAOYSA-N 1 0 236.384 2.349 10 10 BECERO COCCN(c1ccc(C[NH3+])cc1)[C@H](C)C1CC1 ZINC000042613789 174301812 /nfs/dbraw/zinc/30/18/12/174301812.db2.gz LSOGMCGIICKGRB-GFCCVEGCSA-N 1 0 248.370 2.397 10 10 BECERO COCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000019881260 174335009 /nfs/dbraw/zinc/33/50/09/174335009.db2.gz PHUQYESHELZZJZ-UHFFFAOYSA-N 1 0 231.295 2.281 10 10 BECERO COc1ccc(C[NH2+]C2CCC2)c(O)c1 ZINC000052208774 175105278 /nfs/dbraw/zinc/10/52/78/175105278.db2.gz FZIRRRIZWNEABR-UHFFFAOYSA-N 1 0 207.273 2.043 10 10 BECERO COc1ccc(C[NH2+]Cc2cn[nH]c2)cc1C ZINC000038006362 175108718 /nfs/dbraw/zinc/10/87/18/175108718.db2.gz CVKNZHGQQQITMA-UHFFFAOYSA-N 1 0 231.299 2.017 10 10 BECERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052270634 175160701 /nfs/dbraw/zinc/16/07/01/175160701.db2.gz XASUFKCOHVUPMO-AUTRQRHGSA-N 1 0 221.300 2.460 10 10 BECERO C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000037909751 176108629 /nfs/dbraw/zinc/10/86/29/176108629.db2.gz MHLKREPMEZCVTI-LLVKDONJSA-N 1 0 247.342 2.082 10 10 BECERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000053115636 176152497 /nfs/dbraw/zinc/15/24/97/176152497.db2.gz MXMTUVUOVLKPPM-DOMZBBRYSA-N 1 0 249.354 2.423 10 10 BECERO C[C@H](C[NH+]1CCCC1)Nc1ccc(N)cc1 ZINC000042598574 176664860 /nfs/dbraw/zinc/66/48/60/176664860.db2.gz ZPWHUYRNZPIQDO-LLVKDONJSA-N 1 0 219.332 2.165 10 10 BECERO C[C@H](c1ccc(N(C)C)cc1)N1CCC[NH2+]CC1 ZINC000038087088 177034706 /nfs/dbraw/zinc/03/47/06/177034706.db2.gz RWWAAOISEMNFFF-CYBMUJFWSA-N 1 0 247.386 2.109 10 10 BECERO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180069799 177260426 /nfs/dbraw/zinc/26/04/26/177260426.db2.gz QKYJWCHIZDCMAW-VIFPVBQESA-N 1 0 241.331 2.469 10 10 BECERO C[C@H]1C[N@H+](Cc2ccccc2O)CCS1 ZINC000179569761 177266950 /nfs/dbraw/zinc/26/69/50/177266950.db2.gz JPXDIHHDZMMILU-JTQLQIEISA-N 1 0 223.341 2.330 10 10 BECERO CC[NH2+]Cc1ccc(N2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000035788553 535478035 /nfs/dbraw/zinc/47/80/35/535478035.db2.gz YZVIHRXXMCFTKY-QWHCGFSZSA-N 1 0 248.370 2.410 10 10 BECERO CC[C@@H](C)[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000011756035 535566235 /nfs/dbraw/zinc/56/62/35/535566235.db2.gz PIQNUMJYSNGQRD-GFCCVEGCSA-N 1 0 233.359 2.189 10 10 BECERO CC(C)Oc1ccc(N2CCC([NH3+])CC2)cc1 ZINC000020473136 535000135 /nfs/dbraw/zinc/00/01/35/535000135.db2.gz VUZDPWJKXCVTAT-UHFFFAOYSA-N 1 0 234.343 2.401 10 10 BECERO C[NH2+][C@@H]1CCN(c2ccc(OC)c(C)c2)C[C@H]1C ZINC000049713975 536378162 /nfs/dbraw/zinc/37/81/62/536378162.db2.gz QNPZOKNELVGZLI-TZMCWYRMSA-N 1 0 248.370 2.438 10 10 BECERO COc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049693929 536707068 /nfs/dbraw/zinc/70/70/68/536707068.db2.gz RRDUSDDSJHQFEA-WDEREUQCSA-N 1 0 220.316 2.011 10 10 BECERO Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017235 588780212 /nfs/dbraw/zinc/78/02/12/588780212.db2.gz HRFGCPQFMNVOTH-UONOGXRCSA-N 1 0 246.354 2.109 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1O ZINC000127876349 590823993 /nfs/dbraw/zinc/82/39/93/590823993.db2.gz PTFNZYGMWWCBIQ-CHWSQXEVSA-N 1 0 235.327 2.094 10 10 BECERO COc1ccc(C[NH2+]Cc2ccoc2)c(O)c1 ZINC000134227199 591902793 /nfs/dbraw/zinc/90/27/93/591902793.db2.gz JQCPZCUDAKQXRO-UHFFFAOYSA-N 1 0 233.267 2.284 10 10 BECERO C[C@H]([NH2+]C1CSC1)c1ccccc1O ZINC000215965261 592000905 /nfs/dbraw/zinc/00/09/05/592000905.db2.gz CUXZZHGYFSYDQA-QMMMGPOBSA-N 1 0 209.314 2.158 10 10 BECERO Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000219125122 592211159 /nfs/dbraw/zinc/21/11/59/592211159.db2.gz LOQPYNDACURZIS-NSHDSACASA-N 1 0 243.310 2.341 10 10 BECERO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089163515 631498279 /nfs/dbraw/zinc/49/82/79/631498279.db2.gz PGSXGMSLDDACCW-UKRRQHHQSA-N 1 0 248.370 2.003 10 10 BECERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000308907560 631723607 /nfs/dbraw/zinc/72/36/07/631723607.db2.gz PJGSHLZDDLRLIQ-IEBDPFPHSA-N 1 0 203.285 2.378 10 10 BECERO CN(C)c1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC000044539881 640402801 /nfs/dbraw/zinc/40/28/01/640402801.db2.gz WGVSFSMSOHAWEV-HNNXBMFYSA-N 1 0 247.386 2.066 10 10 BECERO COc1ccc(N(C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062912232 641107344 /nfs/dbraw/zinc/10/73/44/641107344.db2.gz FUSXPEDNNLKPED-CQSZACIVSA-N 1 0 234.343 2.131 10 10 BECERO Cc1cc(N2CCC[C@H]2CCCO)ccc1C[NH3+] ZINC000052761665 178116216 /nfs/dbraw/zinc/11/62/16/178116216.db2.gz HZUNJEYAUSSXBX-AWEZNQCLSA-N 1 0 248.370 2.195 10 10 BECERO C[C@H]1C[NH2+][C@H](c2ccc(N(C)C)cc2)C1 ZINC000003705065 342736873 /nfs/dbraw/zinc/73/68/73/342736873.db2.gz DVITZOYXQOOEPO-MFKMUULPSA-N 1 0 204.317 2.423 10 10 BECERO CC[NH+](CC)Cc1ccc(NC(C)=O)cc1O ZINC000036456990 343005379 /nfs/dbraw/zinc/00/53/79/343005379.db2.gz USKVVSHKVGPAHH-UHFFFAOYSA-N 1 0 236.315 2.192 10 10 BECERO CC(C)(CCO)C[NH2+]Cc1cccc(F)c1[O-] ZINC000226611985 187228254 /nfs/dbraw/zinc/22/82/54/187228254.db2.gz FCICNECGEJNCKT-UHFFFAOYSA-N 1 0 241.306 2.030 10 10 BECERO Cc1cc(C[NH3+])c(O)c(C(F)(F)F)c1 ZINC000039105415 343384844 /nfs/dbraw/zinc/38/48/44/343384844.db2.gz ZXACLLAJFKCHIT-UHFFFAOYSA-N 1 0 205.179 2.178 10 10 BECERO COc1ccc(C[NH2+]CC(C)C)c(O)c1 ZINC000040905607 343410676 /nfs/dbraw/zinc/41/06/76/343410676.db2.gz MNPUSQXRVPWHDC-UHFFFAOYSA-N 1 0 209.289 2.146 10 10 BECERO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000189118897 347296680 /nfs/dbraw/zinc/29/66/80/347296680.db2.gz BWAPCRYJAVMEGX-RYUDHWBXSA-N 1 0 248.370 2.192 10 10 BECERO Cc1cc(C[NH3+])c([N+](=O)[O-])cc1N1CCCCC1 ZINC000196859478 348042850 /nfs/dbraw/zinc/04/28/50/348042850.db2.gz DDEGNKVWLYNUCB-UHFFFAOYSA-N 1 0 249.314 2.352 10 10 BECERO CC(=O)c1cc(Cl)cc(C[NH+](C)C)c1O ZINC000037322860 348319690 /nfs/dbraw/zinc/31/96/90/348319690.db2.gz BREIQWJAIDUWGI-UHFFFAOYSA-N 1 0 227.691 2.310 10 10 BECERO CCCCOCCN(C)c1ccc(C[NH3+])cc1 ZINC000049261697 187951811 /nfs/dbraw/zinc/95/18/11/187951811.db2.gz JPHBADYVVZMNKP-UHFFFAOYSA-N 1 0 236.359 2.398 10 10 BECERO CC(C)N(CCO)c1ccc([C@@H](C)[NH3+])cc1F ZINC000042479740 188293763 /nfs/dbraw/zinc/29/37/63/188293763.db2.gz KLIJDPKESZRAJE-SNVBAGLBSA-N 1 0 240.322 2.053 10 10 BECERO [NH3+][C@@H](CF)c1cc(Br)ccc1O ZINC000238572472 361156473 /nfs/dbraw/zinc/15/64/73/361156473.db2.gz UETZHZRWXYESKC-ZETCQYMHSA-N 1 0 234.068 2.124 10 10 BECERO [NH3+]C[C@H]1CCC[C@@H]1Sc1nccs1 ZINC000040677146 181461957 /nfs/dbraw/zinc/46/19/57/181461957.db2.gz OPVBRCRXGXOUEF-SFYZADRCSA-N 1 0 214.359 2.363 10 10 BECERO [NH3+][C@H](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC000054685138 181625598 /nfs/dbraw/zinc/62/55/98/181625598.db2.gz WSXMMIYNELYZQT-CYBMUJFWSA-N 1 0 243.306 2.210 10 10 BECERO CC[NH+](CC)CCNc1ccc(N)cc1 ZINC000020381884 371275967 /nfs/dbraw/zinc/27/59/67/371275967.db2.gz VGDBSAICXDCFAW-UHFFFAOYSA-N 1 0 207.321 2.023 10 10 BECERO c1csc(S[C@@H]2CCCC[NH2+]C2)n1 ZINC000132154827 371757816 /nfs/dbraw/zinc/75/78/16/371757816.db2.gz LACHOKORALKYFH-MRVPVSSYSA-N 1 0 214.359 2.377 10 10 BECERO Cc1ccc([C@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000132445804 371824837 /nfs/dbraw/zinc/82/48/37/371824837.db2.gz USFGJYGEELEEHS-NSHDSACASA-N 1 0 221.300 2.094 10 10 BECERO [NH3+]Cc1ccc(Sc2nccs2)nc1 ZINC000040677107 373594163 /nfs/dbraw/zinc/59/41/63/373594163.db2.gz WXCMIPMPBDMRFU-UHFFFAOYSA-N 1 0 223.326 2.148 10 10 BECERO CCC[N@H+](C)CCCC(=O)Nc1ccc(N)cc1 ZINC000037097801 169074701 /nfs/dbraw/zinc/07/47/01/169074701.db2.gz PTLFNXDOICTOKA-UHFFFAOYSA-N 1 0 249.358 2.329 10 10 BECERO CCC[N@H+](C)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000020226114 169086634 /nfs/dbraw/zinc/08/66/34/169086634.db2.gz SGCZZZGSYZRFKP-AWEZNQCLSA-N 1 0 235.375 2.094 10 10 BECERO Oc1ccc(C[NH2+]CCc2ccccc2)c(O)c1 ZINC000019919788 183270672 /nfs/dbraw/zinc/27/06/72/183270672.db2.gz KSWVWZFKKCPGFI-UHFFFAOYSA-N 1 0 243.306 2.430 10 10 BECERO CCC[N@H+](Cc1ccc(N)cc1)[C@H]1CCOC1 ZINC000112392498 169175019 /nfs/dbraw/zinc/17/50/19/169175019.db2.gz FPCUDCNAODTIQT-AWEZNQCLSA-N 1 0 234.343 2.270 10 10 BECERO Oc1cccc(C[NH2+]CC2CCCC2)c1O ZINC000041049413 183290070 /nfs/dbraw/zinc/29/00/70/183290070.db2.gz SYYLPPYMMAAKAM-UHFFFAOYSA-N 1 0 221.300 2.378 10 10 BECERO CCC[NH2+]Cc1ccc(N2CC[C@@H](O)C2)cc1C ZINC000061711172 169266794 /nfs/dbraw/zinc/26/67/94/169266794.db2.gz LVBFXBGNBSZUDD-OAHLLOKOSA-N 1 0 248.370 2.066 10 10 BECERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2CO)cc1 ZINC000042433176 169267226 /nfs/dbraw/zinc/26/72/26/169267226.db2.gz XWBYUAHQHDUOHQ-OAHLLOKOSA-N 1 0 248.370 2.147 10 10 BECERO CCC[NH2+]Cc1ccc(N(CC)CCO)cc1 ZINC000037900371 169267312 /nfs/dbraw/zinc/26/73/12/169267312.db2.gz NQVLNCLNMBJDQB-UHFFFAOYSA-N 1 0 236.359 2.005 10 10 BECERO CCC[NH2+][C@@H](C)c1ccc(N(C)CCO)cc1 ZINC000037899430 169275875 /nfs/dbraw/zinc/27/58/75/169275875.db2.gz VHUHPDCVRRLYRS-LBPRGKRZSA-N 1 0 236.359 2.176 10 10 BECERO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000036789812 169364399 /nfs/dbraw/zinc/36/43/99/169364399.db2.gz ZDVVSLYOQURWSD-LLVKDONJSA-N 1 0 249.358 2.328 10 10 BECERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1O ZINC000134236852 384340067 /nfs/dbraw/zinc/34/00/67/384340067.db2.gz WLJRWYKTQJNOSY-NHCYSSNCSA-N 1 0 221.300 2.220 10 10 BECERO Cc1n[nH][n+](C)c1N=Nc1ccc(N(C)C)cc1 ZINC000096331931 384452182 /nfs/dbraw/zinc/45/21/82/384452182.db2.gz HBFNCLZUMVPLQX-CCEZHUSRSA-O 1 0 245.310 2.024 10 10 BECERO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000156017509 385429039 /nfs/dbraw/zinc/42/90/39/385429039.db2.gz MFYNENXEZGIUQM-CYBMUJFWSA-N 1 0 248.370 2.084 10 10 BECERO [NH3+]Cc1ccnc(Sc2nccs2)c1 ZINC000040677106 388424568 /nfs/dbraw/zinc/42/45/68/388424568.db2.gz JLXXSBFKNKPGAD-UHFFFAOYSA-N 1 0 223.326 2.148 10 10 BECERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296946181 388426124 /nfs/dbraw/zinc/42/61/24/388426124.db2.gz QPRQCCBWWICCPC-WCQGTBRESA-N 1 0 233.311 2.147 10 10 BECERO C[C@H]([NH3+])c1ccc(N2CCSCC2)c(F)c1 ZINC000020257412 132330567 /nfs/dbraw/zinc/33/05/67/132330567.db2.gz MKPPCXOMGPQRNR-VIFPVBQESA-N 1 0 240.347 2.399 10 10 BECERO CC(C)[NH2+]Cc1ccc(N2CCOC[C@H]2C)cc1 ZINC000035777798 132339347 /nfs/dbraw/zinc/33/93/47/132339347.db2.gz FRKDYYXMFWRUTF-CYBMUJFWSA-N 1 0 248.370 2.410 10 10 BECERO C[NH2+]C1CCN(c2ccc(OC)c(C)c2)CC1 ZINC000049530916 132356256 /nfs/dbraw/zinc/35/62/56/132356256.db2.gz LJKCYWUKOXIKDZ-UHFFFAOYSA-N 1 0 234.343 2.192 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC)cc2)[C@H](C)C1 ZINC000049693934 132356429 /nfs/dbraw/zinc/35/64/29/132356429.db2.gz XRTSPUFUFMXTKW-NEPJUHHUSA-N 1 0 234.343 2.272 10 10 BECERO C[NH2+]Cc1ccc(N2CCOC(C)(C)C2)c(C)c1 ZINC000050560557 132359121 /nfs/dbraw/zinc/35/91/21/132359121.db2.gz CTCSJRLNHSMYNT-UHFFFAOYSA-N 1 0 248.370 2.330 10 10 BECERO C[NH2+]Cc1ccc(N2CCOC(C)(C)C2)cc1C ZINC000050582490 132359241 /nfs/dbraw/zinc/35/92/41/132359241.db2.gz XYMNSGNTDYOPCW-UHFFFAOYSA-N 1 0 248.370 2.330 10 10 BECERO Cc1cc(N2C[C@@H](C)OC[C@@H]2C)ccc1C[NH3+] ZINC000050582183 132359276 /nfs/dbraw/zinc/35/92/76/132359276.db2.gz IORCNFUVMLQCFV-NWDGAFQWSA-N 1 0 234.343 2.067 10 10 BECERO C[C@@H]1COCCN1c1ccc(C[NH3+])cc1Cl ZINC000062792887 132388866 /nfs/dbraw/zinc/38/88/66/132388866.db2.gz JOGIQRDAVRJTOB-SECBINFHSA-N 1 0 240.734 2.024 10 10 BECERO CC[NH+](CC)CCN(C)c1ccc(N)cc1 ZINC000019730734 169776946 /nfs/dbraw/zinc/77/69/46/169776946.db2.gz QPLDIIWHNWRNCC-UHFFFAOYSA-N 1 0 221.348 2.047 10 10 BECERO CC(C)[NH2+]C[C@@H]1CCc2cc(O)c(O)cc21 ZINC000029207583 167113213 /nfs/dbraw/zinc/11/32/13/167113213.db2.gz IPMXJGINCCLBSU-JTQLQIEISA-N 1 0 221.300 2.126 10 10 BECERO CC(C)OCCC[NH2+]Cc1ccc(O)cc1O ZINC000020197955 167222589 /nfs/dbraw/zinc/22/25/89/167222589.db2.gz NSWVIRZZJDPFCK-UHFFFAOYSA-N 1 0 239.315 2.003 10 10 BECERO CC[N@H+](CCc1ccc(N)cc1)[C@@H](C)COC ZINC000042738100 169873796 /nfs/dbraw/zinc/87/37/96/169873796.db2.gz HSJXEJAARQLPBV-LBPRGKRZSA-N 1 0 236.359 2.168 10 10 BECERO CCn1cc[nH+]c1Nc1ccc(N)cc1 ZINC000050608105 172227173 /nfs/dbraw/zinc/22/71/73/172227173.db2.gz DHSKOGZBKSWDFL-UHFFFAOYSA-N 1 0 202.261 2.229 10 10 BECERO CN(Cc1ccco1)c1ccc(C[NH3+])cc1 ZINC000035700454 172891284 /nfs/dbraw/zinc/89/12/84/172891284.db2.gz XLDRXNFJJZABIT-UHFFFAOYSA-N 1 0 216.284 2.375 10 10 BECERO C[NH2+]CCN(C)c1ccc(OC(C)C)c(F)c1 ZINC000107291608 173353598 /nfs/dbraw/zinc/35/35/98/173353598.db2.gz FWTSJPRWHYVZGB-UHFFFAOYSA-N 1 0 240.322 2.269 10 10 BECERO C[NH2+]CCN(C)c1ccc(OC)c(C(C)C)c1 ZINC000107290837 173353942 /nfs/dbraw/zinc/35/39/42/173353942.db2.gz ORZWYYDSGQURAO-UHFFFAOYSA-N 1 0 236.359 2.474 10 10 BECERO C[NH2+]Cc1ccc(N2CC[C@H](C)C2)c(F)c1 ZINC000040719260 173388994 /nfs/dbraw/zinc/38/89/94/173388994.db2.gz FCKICNMZCVGFPU-JTQLQIEISA-N 1 0 222.307 2.391 10 10 BECERO C[NH2+]Cc1ccc(N2CCCO[C@H](C)C2)cc1 ZINC000061920063 173389208 /nfs/dbraw/zinc/38/92/08/173389208.db2.gz LLHMQAVWZRCENF-GFCCVEGCSA-N 1 0 234.343 2.021 10 10 BECERO C[NH2+][C@H](C)c1ccc(N(C)CCCOC)cc1 ZINC000062032080 173448777 /nfs/dbraw/zinc/44/87/77/173448777.db2.gz ZPXKFGWSGMJTLV-GFCCVEGCSA-N 1 0 236.359 2.440 10 10 BECERO COCCC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000037753931 174226028 /nfs/dbraw/zinc/22/60/28/174226028.db2.gz ZBLWGMODBJUTNB-UHFFFAOYSA-N 1 0 234.343 2.270 10 10 BECERO COc1ccc(C[NH2+]C(C)(C)C)c(O)c1 ZINC000040905573 175105890 /nfs/dbraw/zinc/10/58/90/175105890.db2.gz YJLIIYRJHWHPEA-UHFFFAOYSA-N 1 0 209.289 2.289 10 10 BECERO COc1ccc(N(C)Cc2ccc(C[NH3+])o2)cc1 ZINC000052541806 175136426 /nfs/dbraw/zinc/13/64/26/175136426.db2.gz FEYFZADOWDSOGR-UHFFFAOYSA-N 1 0 246.310 2.383 10 10 BECERO COc1ccc(N2CC[NH2+][C@H](C)CC2)cc1F ZINC000049661987 175139285 /nfs/dbraw/zinc/13/92/85/175139285.db2.gz WQVBCJXNIWJSCJ-SNVBAGLBSA-N 1 0 238.306 2.023 10 10 BECERO COc1ccc(N2CC[NH2+][C@@H](C)CC2)cc1F ZINC000049661988 175139679 /nfs/dbraw/zinc/13/96/79/175139679.db2.gz WQVBCJXNIWJSCJ-JTQLQIEISA-N 1 0 238.306 2.023 10 10 BECERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000052270632 175159805 /nfs/dbraw/zinc/15/98/05/175159805.db2.gz XASUFKCOHVUPMO-PTRXPTGYSA-N 1 0 221.300 2.460 10 10 BECERO C[C@@H]1CC[N@H+](CCc2ccc(N)cc2)C1 ZINC000040716978 176170515 /nfs/dbraw/zinc/17/05/15/176170515.db2.gz LRUSWXQCAIFTIK-LLVKDONJSA-N 1 0 204.317 2.153 10 10 BECERO C[C@@H]1CCN(c2ccc(C[NH3+])cc2F)C1 ZINC000041043372 176181939 /nfs/dbraw/zinc/18/19/39/176181939.db2.gz DFDMYWMNYLYUQB-SECBINFHSA-N 1 0 208.280 2.131 10 10 BECERO C[C@H](c1cc(Cl)ccc1O)N1CC[NH2+]CC1 ZINC000076817252 177031627 /nfs/dbraw/zinc/03/16/27/177031627.db2.gz KWZXFSIZHHIJSE-SECBINFHSA-N 1 0 240.734 2.012 10 10 BECERO C[C@H]1CCC[N@H+](Cc2cc(N)ccc2O)C1 ZINC000037272161 177100455 /nfs/dbraw/zinc/10/04/55/177100455.db2.gz VFISIGZHXZIOOH-JTQLQIEISA-N 1 0 220.316 2.206 10 10 BECERO CCOc1ccc(N2CC[NH2+]C[C@@H]2CC)cc1 ZINC000016945092 535735379 /nfs/dbraw/zinc/73/53/79/535735379.db2.gz KBNFEJCDWXMBJG-LBPRGKRZSA-N 1 0 234.343 2.274 10 10 BECERO C[NH2+][C@@H]1CCN(c2ccc(OC)cc2C)C[C@H]1C ZINC000061567992 536378135 /nfs/dbraw/zinc/37/81/35/536378135.db2.gz IMJZLOAGFUQQAG-TZMCWYRMSA-N 1 0 248.370 2.438 10 10 BECERO CC[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)cc1C ZINC000050581174 535478538 /nfs/dbraw/zinc/47/85/38/535478538.db2.gz XVWUUIYSPIHCRX-ZDUSSCGKSA-N 1 0 248.370 2.330 10 10 BECERO CCOCC[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286533 535625783 /nfs/dbraw/zinc/62/57/83/535625783.db2.gz KGXNGUFUORIFOG-UHFFFAOYSA-N 1 0 248.370 2.195 10 10 BECERO CCOc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000043470508 535734774 /nfs/dbraw/zinc/73/47/74/535734774.db2.gz FVVFUBLGZULRJV-LLVKDONJSA-N 1 0 220.316 2.013 10 10 BECERO CC[C@@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])cc1 ZINC000036794466 535843599 /nfs/dbraw/zinc/84/35/99/535843599.db2.gz QVEIICLLWVPKHY-WCQYABFASA-N 1 0 234.343 2.149 10 10 BECERO C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)[C@H](C)C1 ZINC000049693932 536378188 /nfs/dbraw/zinc/37/81/88/536378188.db2.gz XRTSPUFUFMXTKW-VXGBXAGGSA-N 1 0 234.343 2.272 10 10 BECERO COc1ccc(N2CC(C)(C)[NH2+]C[C@@H]2C)cc1 ZINC000058445778 536667780 /nfs/dbraw/zinc/66/77/80/536667780.db2.gz VNUCBKILTQROSR-NSHDSACASA-N 1 0 234.343 2.272 10 10 BECERO CCN1CCC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000124730926 590079432 /nfs/dbraw/zinc/07/94/32/590079432.db2.gz JHUFUGOGXUMLMD-CQSZACIVSA-N 1 0 248.370 2.275 10 10 BECERO COCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000212327032 591352532 /nfs/dbraw/zinc/35/25/32/591352532.db2.gz NDSJXUCCAPQLOM-PLNGDYQASA-N 1 0 234.343 2.002 10 10 BECERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1 ZINC000040672734 636936398 /nfs/dbraw/zinc/93/63/98/636936398.db2.gz IJFHJRNTOZNNQL-QWHCGFSZSA-N 1 0 248.370 2.445 10 10 BECERO COC1CC([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000230675988 641079513 /nfs/dbraw/zinc/07/95/13/641079513.db2.gz DVXZRJFRWAUOIZ-PUSIOWJLSA-N 1 0 239.290 2.359 10 10 BECERO COC1CC([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000230675994 641080733 /nfs/dbraw/zinc/08/07/33/641080733.db2.gz DVXZRJFRWAUOIZ-MFAVDMRSSA-N 1 0 239.290 2.359 10 10 BECERO COCC1CC([NH2+]Cc2cc(C)ccc2O)C1 ZINC000713935060 712473725 /nfs/dbraw/zinc/47/37/25/712473725.db2.gz KGYIVBQVTYZPRC-UHFFFAOYSA-N 1 0 235.327 2.215 10 10 BECERO C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000071445270 398150782 /nfs/dbraw/zinc/15/07/82/398150782.db2.gz ZRKTUDIGBQVFTP-YFKPBYRVSA-N 1 0 205.179 2.431 10 10 BECERO C[NH+](C)CC(C)(C)COc1ccc(N)cc1 ZINC000148032435 342787082 /nfs/dbraw/zinc/78/70/82/342787082.db2.gz MGIFEJOJGZZMGS-UHFFFAOYSA-N 1 0 222.332 2.235 10 10 BECERO Cc1ccc(C[NH2+]Cc2ccc(N)cc2)o1 ZINC000053040478 178616710 /nfs/dbraw/zinc/61/67/10/178616710.db2.gz FGEYUTJMBITEAZ-UHFFFAOYSA-N 1 0 216.284 2.460 10 10 BECERO Cc1cc(Br)cc([C@H]([NH3+])CF)c1O ZINC000238462815 345053399 /nfs/dbraw/zinc/05/33/99/345053399.db2.gz TXFKZGGDDQQTGF-MRVPVSSYSA-N 1 0 248.095 2.432 10 10 BECERO Cc1cccc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000124529810 179066121 /nfs/dbraw/zinc/06/61/21/179066121.db2.gz UYUXAZAGYLDULB-CYBMUJFWSA-N 1 0 235.327 2.311 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1O ZINC000135607325 179097474 /nfs/dbraw/zinc/09/74/74/179097474.db2.gz YOZZROCXCOQYJU-ZIAGYGMSSA-N 1 0 249.354 2.484 10 10 BECERO CC([N+]#N)c1ccc(Br)cc1 ZINC000196287453 347492712 /nfs/dbraw/zinc/49/27/12/347492712.db2.gz XZCDYTAJRIYHHB-UHFFFAOYSA-N 1 0 211.062 2.488 10 10 BECERO c1csc(S[C@H]2CCCC[NH2+]C2)n1 ZINC000132155048 348924260 /nfs/dbraw/zinc/92/42/60/348924260.db2.gz LACHOKORALKYFH-QMMMGPOBSA-N 1 0 214.359 2.377 10 10 BECERO O=C(c1ccc(Cl)cc1)[n+]1ccccc1 ZINC000584613782 358278083 /nfs/dbraw/zinc/27/80/83/358278083.db2.gz GZJBKSGXOMJXDV-UHFFFAOYSA-N 1 0 218.663 2.316 10 10 BECERO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1O ZINC000367713020 367090165 /nfs/dbraw/zinc/09/01/65/367090165.db2.gz PGTWBHAFMUPIOK-YIYPIFLZSA-N 1 0 247.338 2.325 10 10 BECERO Oc1c(O)c(Cl)c2c(c1Cl)CC[NH2+]CC2 ZINC000035570418 183254973 /nfs/dbraw/zinc/25/49/73/183254973.db2.gz XCJPKGFHOXKLBP-UHFFFAOYSA-N 1 0 248.109 2.093 10 10 BECERO Oc1ccc(C[NH2+]CCc2ccsc2)c(O)c1 ZINC000042598785 183271003 /nfs/dbraw/zinc/27/10/03/183271003.db2.gz QSJKLGKJAQHGOT-UHFFFAOYSA-N 1 0 249.335 2.492 10 10 BECERO Oc1cccc(C[NH2+]CCc2ccccc2)c1O ZINC000041116369 183289483 /nfs/dbraw/zinc/28/94/83/183289483.db2.gz QUKSGHZYVVIINK-UHFFFAOYSA-N 1 0 243.306 2.430 10 10 BECERO CCCN(CCCOC)c1ccc(C[NH3+])cc1 ZINC000037753596 169156842 /nfs/dbraw/zinc/15/68/42/169156842.db2.gz DKNCWWCTFTYMQP-UHFFFAOYSA-N 1 0 236.359 2.398 10 10 BECERO CCCOc1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC000051786210 169319009 /nfs/dbraw/zinc/31/90/09/169319009.db2.gz TUICBQIOVDOGGJ-LLVKDONJSA-N 1 0 220.316 2.013 10 10 BECERO Nc1ccc(OCc2ccc(OC[NH3+])cc2)cc1 ZINC000038609485 384089329 /nfs/dbraw/zinc/08/93/29/384089329.db2.gz ARJNPAHQVKCTJV-UHFFFAOYSA-N 1 0 244.294 2.143 10 10 BECERO C[NH+](C)C[C@H]1CCCc2cc(O)c(O)cc21 ZINC000027888222 384232373 /nfs/dbraw/zinc/23/23/73/384232373.db2.gz QBRKSAWIGDQXSR-SNVBAGLBSA-N 1 0 221.300 2.079 10 10 BECERO CCOc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1O ZINC000052270895 384727452 /nfs/dbraw/zinc/72/74/52/384727452.db2.gz QFUKZBBNUFJRLH-MWLCHTKSSA-N 1 0 221.300 2.289 10 10 BECERO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000226584554 386337743 /nfs/dbraw/zinc/33/77/43/386337743.db2.gz CXDAKJQUAHJQPX-RNCFNFMXSA-N 1 0 239.290 2.188 10 10 BECERO Oc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228143682 387079743 /nfs/dbraw/zinc/07/97/43/387079743.db2.gz RUDZBBYUMQICIX-TZMCWYRMSA-N 1 0 233.311 2.146 10 10 BECERO COc1cccc([C@@H]([NH3+])CC(F)F)c1O ZINC000575437194 387105463 /nfs/dbraw/zinc/10/54/63/387105463.db2.gz AGWSRDNWONNCPS-ZETCQYMHSA-N 1 0 217.215 2.056 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187136552 387170004 /nfs/dbraw/zinc/17/00/04/387170004.db2.gz QBCJSHQOGSTHAW-BZPMIXESSA-N 1 0 233.311 2.049 10 10 BECERO CCC[NH2+]Cc1ccc(N2CCOC[C@H]2C)cc1 ZINC000035777807 132339447 /nfs/dbraw/zinc/33/94/47/132339447.db2.gz SCPRWSYNWUDWBZ-CYBMUJFWSA-N 1 0 248.370 2.411 10 10 BECERO CC[C@H]1CN(c2ccc(C[NH2+]C)cc2)CCO1 ZINC000036770474 132342789 /nfs/dbraw/zinc/34/27/89/132342789.db2.gz MYJIFJRKFVHSNX-AWEZNQCLSA-N 1 0 234.343 2.021 10 10 BECERO C[NH2+]C1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000037290778 132344135 /nfs/dbraw/zinc/34/41/35/132344135.db2.gz ITRGKTCOXZVQDP-UHFFFAOYSA-N 1 0 238.306 2.023 10 10 BECERO C[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000037266678 132344149 /nfs/dbraw/zinc/34/41/49/132344149.db2.gz FDYQEZFUIIDVQB-UHFFFAOYSA-N 1 0 234.343 2.021 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000043425778 132353221 /nfs/dbraw/zinc/35/32/21/132353221.db2.gz JPVGTZSGCPBUHS-UGFHNGPFSA-N 1 0 246.354 2.464 10 10 BECERO C[C@H]1COCCN1c1ccc(C[NH3+])cc1Cl ZINC000062792888 132388346 /nfs/dbraw/zinc/38/83/46/132388346.db2.gz JOGIQRDAVRJTOB-VIFPVBQESA-N 1 0 240.734 2.024 10 10 BECERO CCOc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071544806 132393800 /nfs/dbraw/zinc/39/38/00/132393800.db2.gz GKZNZIXVQPKOGK-NEPJUHHUSA-N 1 0 234.343 2.272 10 10 BECERO CC[C@@H]1C[NH2+]CCN1c1ccc(OC)c(F)c1 ZINC000083366188 132423529 /nfs/dbraw/zinc/42/35/29/132423529.db2.gz JUPCGDQDSHVOQX-SNVBAGLBSA-N 1 0 238.306 2.023 10 10 BECERO CC(C)OCCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000020197919 167224171 /nfs/dbraw/zinc/22/41/71/167224171.db2.gz JYHOSHVWWOEQBK-UHFFFAOYSA-N 1 0 239.315 2.003 10 10 BECERO CC(C)C[N@H+](C)CCc1ccc(O)c(O)c1 ZINC000039098601 166936688 /nfs/dbraw/zinc/93/66/88/166936688.db2.gz HTTWCTSEBXEPIN-UHFFFAOYSA-N 1 0 223.316 2.228 10 10 BECERO CC(C)[NH2+]C[C@@H]1CCc2c1ccc(O)c2O ZINC000029210995 167113587 /nfs/dbraw/zinc/11/35/87/167113587.db2.gz FDHQCFVIUFBAKN-VIFPVBQESA-N 1 0 221.300 2.126 10 10 BECERO CC(C)[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC000041049405 167382043 /nfs/dbraw/zinc/38/20/43/167382043.db2.gz GUNGAERPJNDWBS-SECBINFHSA-N 1 0 209.289 2.232 10 10 BECERO CC(C)[C@@H](C[NH2+]Cc1ccccc1O)N(C)C ZINC000020145571 167399189 /nfs/dbraw/zinc/39/91/89/167399189.db2.gz GPXNYKDJOVIEET-CYBMUJFWSA-N 1 0 236.359 2.068 10 10 BECERO CC[NH2+][C@@H](C)c1ccc(N(CC)CCO)cc1 ZINC000037900279 170141573 /nfs/dbraw/zinc/14/15/73/170141573.db2.gz HHDCVCCOYDJEJK-LBPRGKRZSA-N 1 0 236.359 2.176 10 10 BECERO CCOc1cc(C)c(N(C)CCC[NH3+])cc1C ZINC000107290872 170519638 /nfs/dbraw/zinc/51/96/38/170519638.db2.gz YNOAHAGVFCPOAJ-UHFFFAOYSA-N 1 0 236.359 2.487 10 10 BECERO COc1cc(C)c(N2CCC[NH2+]CC2)cc1C ZINC000077369950 174959519 /nfs/dbraw/zinc/95/95/19/174959519.db2.gz VCBVZXTVWRSSJY-UHFFFAOYSA-N 1 0 234.343 2.112 10 10 BECERO COc1ccc(N2CCC[NH2+]C[C@@H](C)C2)cc1 ZINC000049662801 175139524 /nfs/dbraw/zinc/13/95/24/175139524.db2.gz QZHOATMREBQOIG-GFCCVEGCSA-N 1 0 234.343 2.131 10 10 BECERO COc1ccc(N2CCC[NH2+]CCC2)cc1C ZINC000049667125 175139618 /nfs/dbraw/zinc/13/96/18/175139618.db2.gz USPDQOQIXMMYJN-UHFFFAOYSA-N 1 0 234.343 2.193 10 10 BECERO C[C@@H]1CCCC[N@@H+]1Cc1cc(N)ccc1O ZINC000037272027 176072703 /nfs/dbraw/zinc/07/27/03/176072703.db2.gz USRLMJHVRRZKJD-SNVBAGLBSA-N 1 0 220.316 2.349 10 10 BECERO C[C@H]([NH2+]CC1CC1)c1ccc(O)cc1O ZINC000019884842 176838431 /nfs/dbraw/zinc/83/84/31/176838431.db2.gz NQQNMVOSWLPNOZ-QMMMGPOBSA-N 1 0 207.273 2.158 10 10 BECERO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000022155991 177073536 /nfs/dbraw/zinc/07/35/36/177073536.db2.gz XCFFFTXLLSMPLU-NSHDSACASA-N 1 0 247.342 2.082 10 10 BECERO C[C@H]1CCCN1c1ccc(C[NH3+])cc1F ZINC000037909608 177111856 /nfs/dbraw/zinc/11/18/56/177111856.db2.gz BUYHVHOUVGOKCE-VIFPVBQESA-N 1 0 208.280 2.273 10 10 BECERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000053115633 177128010 /nfs/dbraw/zinc/12/80/10/177128010.db2.gz MXMTUVUOVLKPPM-SWLSCSKDSA-N 1 0 249.354 2.423 10 10 BECERO C[C@H]1C[C@H](C)C[NH+](Cc2cc(N)ccc2O)C1 ZINC000037272594 177358650 /nfs/dbraw/zinc/35/86/50/177358650.db2.gz PWTLQNHNEFZUCA-QWRGUYRKSA-N 1 0 234.343 2.452 10 10 BECERO C[C@H]1[NH2+]CCC[C@@]1(C)c1ccc(O)c(O)c1 ZINC000039098391 177395040 /nfs/dbraw/zinc/39/50/40/177395040.db2.gz UINJNTGRCFEESO-NOZJJQNGSA-N 1 0 221.300 2.127 10 10 BECERO CCO[C@H]1CCCN(c2ccc(C[NH3+])cc2)C1 ZINC000042408122 535622045 /nfs/dbraw/zinc/62/20/45/535622045.db2.gz HCWBFXRYHVYWNO-AWEZNQCLSA-N 1 0 234.343 2.151 10 10 BECERO CCOc1ccc(N2CC[NH2+]C[C@H]2CC)cc1 ZINC000016945096 535735520 /nfs/dbraw/zinc/73/55/20/535735520.db2.gz KBNFEJCDWXMBJG-GFCCVEGCSA-N 1 0 234.343 2.274 10 10 BECERO C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000034823295 536469568 /nfs/dbraw/zinc/46/95/68/536469568.db2.gz OQUPCXCMXXEIRU-TXEJJXNPSA-N 1 0 234.343 2.020 10 10 BECERO COc1ccc(N2CC[NH2+]C[C@H]2C)cc1Cl ZINC000041284366 536705781 /nfs/dbraw/zinc/70/57/81/536705781.db2.gz DJBQQTFEBRZIGV-SECBINFHSA-N 1 0 240.734 2.147 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017231 588780416 /nfs/dbraw/zinc/78/04/16/588780416.db2.gz HRFGCPQFMNVOTH-ZIAGYGMSSA-N 1 0 246.354 2.109 10 10 BECERO COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000132564994 591720788 /nfs/dbraw/zinc/72/07/88/591720788.db2.gz OWSLUHGNOJXKKZ-SECBINFHSA-N 1 0 243.734 2.479 10 10 BECERO CCc1cccc(C[NH2+]C2CC(COC)C2)c1O ZINC000713977759 712475356 /nfs/dbraw/zinc/47/53/56/712475356.db2.gz HFSKPMDQIVESLS-UHFFFAOYSA-N 1 0 249.354 2.469 10 10 BECERO CN(C)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988621 712796196 /nfs/dbraw/zinc/79/61/96/712796196.db2.gz DNAAWWBUJDPRDE-OAHLLOKOSA-N 1 0 248.370 2.411 10 10 BECERO Oc1ccc([C@@H]2C[NH2+]Cc3ccccc32)cc1O ZINC000013826413 343105262 /nfs/dbraw/zinc/10/52/62/343105262.db2.gz CMPLLVRADIMHPM-ZDUSSCGKSA-N 1 0 241.290 2.333 10 10 BECERO CCc1cc(N)cc(C[NH+](CC)CC)c1O ZINC000039102348 343384424 /nfs/dbraw/zinc/38/44/24/343384424.db2.gz UNOFMFAMDCPZDD-UHFFFAOYSA-N 1 0 222.332 2.379 10 10 BECERO C[NH2+]Cc1ccc(N(CCOC)C2CC2)cc1 ZINC000042519095 187266110 /nfs/dbraw/zinc/26/61/10/187266110.db2.gz KLSIYZUJTDBLCA-UHFFFAOYSA-N 1 0 234.343 2.021 10 10 BECERO CN(C)c1ccc([C@@H]([NH3+])CF)c(Cl)c1 ZINC000238314329 345021203 /nfs/dbraw/zinc/02/12/03/345021203.db2.gz YXLVXGUWECWIMU-JTQLQIEISA-N 1 0 216.687 2.375 10 10 BECERO Cc1cccc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000124529632 179065376 /nfs/dbraw/zinc/06/53/76/179065376.db2.gz UYUXAZAGYLDULB-ZDUSSCGKSA-N 1 0 235.327 2.311 10 10 BECERO Cc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000124561292 179079757 /nfs/dbraw/zinc/07/97/57/179079757.db2.gz POIFVGYWXHJZBJ-UONOGXRCSA-N 1 0 247.338 2.454 10 10 BECERO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1O ZINC000124703624 179095149 /nfs/dbraw/zinc/09/51/49/179095149.db2.gz UYFQDPPOLHJHSW-AAEUAGOBSA-N 1 0 235.327 2.358 10 10 BECERO Nc1ccc([C@H]2CNc3ccccc3N2)cn1 ZINC000616680591 351247698 /nfs/dbraw/zinc/24/76/98/351247698.db2.gz MSYNMSKUTXQZOK-GFCCVEGCSA-N 1 0 226.283 2.073 10 10 BECERO C[C@@H]1C[NH2+][C@H](c2ccc(N(C)C)cc2)C1 ZINC000003705064 188275619 /nfs/dbraw/zinc/27/56/19/188275619.db2.gz DVITZOYXQOOEPO-GWCFXTLKSA-N 1 0 204.317 2.423 10 10 BECERO CC(C)[N@H+](C)[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000039098584 188290958 /nfs/dbraw/zinc/29/09/58/188290958.db2.gz RFIAKLQKPPGTQQ-JTQLQIEISA-N 1 0 223.316 2.369 10 10 BECERO N#[N+]CC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000584627935 358297500 /nfs/dbraw/zinc/29/75/00/358297500.db2.gz UXLBJBWCPCIPSG-UHFFFAOYSA-N 1 0 218.300 2.463 10 10 BECERO CCC[C@@H]([NH3+])c1ccc(F)c(F)c1[O-] ZINC000238235766 360735901 /nfs/dbraw/zinc/73/59/01/360735901.db2.gz FOVBENHKCDFRNC-MRVPVSSYSA-N 1 0 201.216 2.470 10 10 BECERO CC(C)[NH2+]CCN(c1ccc(N)cc1)C(C)C ZINC000616220992 369063831 /nfs/dbraw/zinc/06/38/31/369063831.db2.gz WQZTUBMUVCUGSC-UHFFFAOYSA-N 1 0 235.375 2.482 10 10 BECERO CCCN(C)c1c(F)cc(C[NH3+])cc1F ZINC000062710296 169087721 /nfs/dbraw/zinc/08/77/21/169087721.db2.gz WOVLACYUJZOCHD-UHFFFAOYSA-N 1 0 214.259 2.270 10 10 BECERO Oc1ccc(C[NH2+]CC2CCCC2)c(O)c1 ZINC000037258165 183270112 /nfs/dbraw/zinc/27/01/12/183270112.db2.gz OQZGAQGMLNSWMC-UHFFFAOYSA-N 1 0 221.300 2.378 10 10 BECERO Oc1ccc(C[NH2+]CCc2ccccc2)cc1O ZINC000008381151 183270573 /nfs/dbraw/zinc/27/05/73/183270573.db2.gz LHNBVCJQSORVBZ-UHFFFAOYSA-N 1 0 243.306 2.430 10 10 BECERO Oc1ccc(Cl)cc1C[NH2+]Cc1cn[nH]c1 ZINC000038005849 183273007 /nfs/dbraw/zinc/27/30/07/183273007.db2.gz RFPJPCMXZKEGHA-UHFFFAOYSA-N 1 0 237.690 2.059 10 10 BECERO CCCN(CCC)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000102452425 169153671 /nfs/dbraw/zinc/15/36/71/169153671.db2.gz WCVWUTKBLDCSPS-CYBMUJFWSA-N 1 0 247.342 2.265 10 10 BECERO Oc1cccc(C[NH2+]Cc2ccccc2)c1O ZINC000041116219 183291712 /nfs/dbraw/zinc/29/17/12/183291712.db2.gz VJZZGWHFNLBIOJ-UHFFFAOYSA-N 1 0 229.279 2.388 10 10 BECERO Oc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077205525 183303423 /nfs/dbraw/zinc/30/34/23/183303423.db2.gz XCKVJFRDENGUBL-JSGCOSHPSA-N 1 0 235.327 2.033 10 10 BECERO CCCOc1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC000051786208 169319431 /nfs/dbraw/zinc/31/94/31/169319431.db2.gz TUICBQIOVDOGGJ-NSHDSACASA-N 1 0 220.316 2.013 10 10 BECERO C[NH+](C)C[C@H]1CCCc2c(O)c(O)ccc21 ZINC000029207867 385026299 /nfs/dbraw/zinc/02/62/99/385026299.db2.gz QXIMLJZKBKQQJV-SECBINFHSA-N 1 0 221.300 2.079 10 10 BECERO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000226584557 386335713 /nfs/dbraw/zinc/33/57/13/386335713.db2.gz CXDAKJQUAHJQPX-ZANVPECISA-N 1 0 239.290 2.188 10 10 BECERO Cc1ccc([C@H]([NH3+])CC(F)F)c(O)c1 ZINC000575437344 387107558 /nfs/dbraw/zinc/10/75/58/387107558.db2.gz SJOWIRQCJLLISO-MRVPVSSYSA-N 1 0 201.216 2.356 10 10 BECERO COc1cccc(O)c1[C@H]([NH3+])CC(F)F ZINC000575437327 387107824 /nfs/dbraw/zinc/10/78/24/387107824.db2.gz RWVJIFNLPITDRY-ZCFIWIBFSA-N 1 0 217.215 2.056 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187136518 387169974 /nfs/dbraw/zinc/16/99/74/387169974.db2.gz QBCJSHQOGSTHAW-YRGRVCCFSA-N 1 0 233.311 2.049 10 10 BECERO C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000071445271 388093253 /nfs/dbraw/zinc/09/32/53/388093253.db2.gz ZRKTUDIGBQVFTP-RXMQYKEDSA-N 1 0 205.179 2.431 10 10 BECERO CCN(CC)c1ccc([C@@H](C[NH3+])N(C)C)cc1 ZINC000039789106 388410706 /nfs/dbraw/zinc/41/07/06/388410706.db2.gz VHVVIKIIYGVKII-CQSZACIVSA-N 1 0 235.375 2.094 10 10 BECERO c1coc(-c2ccc(N3CCC[NH2+]CC3)cc2)n1 ZINC000082550977 388587725 /nfs/dbraw/zinc/58/77/25/388587725.db2.gz AUMQKEQQSDYUAF-UHFFFAOYSA-N 1 0 243.310 2.141 10 10 BECERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367707067 388567505 /nfs/dbraw/zinc/56/75/05/388567505.db2.gz LCFFQHSYUZOGHM-ZRJCITRHSA-N 1 0 247.338 2.244 10 10 BECERO CC(C)CC[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000011756042 132320369 /nfs/dbraw/zinc/32/03/69/132320369.db2.gz PEGJZIPEIMSNIS-UHFFFAOYSA-N 1 0 247.386 2.437 10 10 BECERO C[NH2+]Cc1ccc(N2CCSCC2)c(F)c1 ZINC000034824416 132337046 /nfs/dbraw/zinc/33/70/46/132337046.db2.gz CGXVHWQVOUWSBI-UHFFFAOYSA-N 1 0 240.347 2.098 10 10 BECERO C[C@H]1COCCN1c1ccc(C[NH2+]C2CC2)cc1 ZINC000035777795 132339342 /nfs/dbraw/zinc/33/93/42/132339342.db2.gz MOYCZIOKSCUIPB-LBPRGKRZSA-N 1 0 246.354 2.164 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C[C@@H]1C ZINC000049693921 132356580 /nfs/dbraw/zinc/35/65/80/132356580.db2.gz UOTKEVQPOATGHN-FZMZJTMJSA-N 1 0 234.343 2.129 10 10 BECERO C[NH2+]Cc1ccc(N2CCSCC2)cc1C ZINC000050581615 132359242 /nfs/dbraw/zinc/35/92/42/132359242.db2.gz GYEQTKOIPIYVLX-UHFFFAOYSA-N 1 0 236.384 2.268 10 10 BECERO Cc1cc(N2CC[NH2+]CC2)ccc1OC(C)C ZINC000063063264 132388531 /nfs/dbraw/zinc/38/85/31/132388531.db2.gz KGFSGFKBOOOWHI-UHFFFAOYSA-N 1 0 234.343 2.192 10 10 BECERO CC[NH+](CC)CCCOc1ccc(N)cc1 ZINC000019731914 169775976 /nfs/dbraw/zinc/77/59/76/169775976.db2.gz WQQRLTZBDUWWAU-UHFFFAOYSA-N 1 0 222.332 2.380 10 10 BECERO CC(C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050285776 167118999 /nfs/dbraw/zinc/11/89/99/167118999.db2.gz MUXRYAYOYRHPFJ-UHFFFAOYSA-N 1 0 204.317 2.177 10 10 BECERO CC(C)Oc1ccc(N2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891687 167295335 /nfs/dbraw/zinc/29/53/35/167295335.db2.gz QMPIDKARIZLSSH-LBPRGKRZSA-N 1 0 234.343 2.259 10 10 BECERO CC[NH2+][C@@H]1CCN(c2ccc(OC)c(F)c2)C1 ZINC000037290772 170153210 /nfs/dbraw/zinc/15/32/10/170153210.db2.gz AKNNMYVVPGKJQL-SNVBAGLBSA-N 1 0 238.306 2.023 10 10 BECERO CC[NH2+][C@@H]1c2ccc(N(C)C(C)C)cc2NC1=O ZINC000102452770 170166031 /nfs/dbraw/zinc/16/60/31/170166031.db2.gz BGWALAUIKLBPPL-CYBMUJFWSA-N 1 0 247.342 2.134 10 10 BECERO CC[C@H](C)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000036194719 171275807 /nfs/dbraw/zinc/27/58/07/171275807.db2.gz ZOMBBNCHAAAFHM-TVQRCGJNSA-N 1 0 247.342 2.121 10 10 BECERO C[NH+]1CCC(Nc2c(N)cccc2Cl)CC1 ZINC000037267288 172997263 /nfs/dbraw/zinc/99/72/63/172997263.db2.gz UTEARHVRKOGKMV-UHFFFAOYSA-N 1 0 239.750 2.428 10 10 BECERO C[NH2+][C@@H](C)c1ccc(N(CCO)C(C)C)cc1 ZINC000042479785 173418783 /nfs/dbraw/zinc/41/87/83/173418783.db2.gz ZTEKSCYATZYXJP-LBPRGKRZSA-N 1 0 236.359 2.174 10 10 BECERO COCCN(c1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000042518534 174301808 /nfs/dbraw/zinc/30/18/08/174301808.db2.gz IBROYGGTYLAGMH-NSHDSACASA-N 1 0 234.343 2.322 10 10 BECERO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1C ZINC000120837267 175109994 /nfs/dbraw/zinc/10/99/94/175109994.db2.gz NXFQXZZAQMYTMT-DGCLKSJQSA-N 1 0 235.327 2.271 10 10 BECERO COc1ccc(N(C)C[C@@H]([NH3+])CC2CC2)cc1 ZINC000082341643 175136356 /nfs/dbraw/zinc/13/63/56/175136356.db2.gz JQBUQVXGMHWTTD-LBPRGKRZSA-N 1 0 234.343 2.259 10 10 BECERO COc1ccc(N(CC[NH3+])CC(C)C)cc1 ZINC000076611374 175137371 /nfs/dbraw/zinc/13/73/71/175137371.db2.gz OXYKRZNKXRTRFQ-UHFFFAOYSA-N 1 0 222.332 2.116 10 10 BECERO COc1ccc(N2CCC[NH2+]CC2)cc1Cl ZINC000071550338 175139573 /nfs/dbraw/zinc/13/95/73/175139573.db2.gz FBQJFGGEUFMYAB-UHFFFAOYSA-N 1 0 240.734 2.148 10 10 BECERO COc1ccc([C@@H]([NH3+])c2ccccc2)c(O)c1 ZINC000021966796 175180135 /nfs/dbraw/zinc/18/01/35/175180135.db2.gz JCIIGUMSSXZLOY-AWEZNQCLSA-N 1 0 229.279 2.449 10 10 BECERO C[C@@H]1CCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000037909939 176108110 /nfs/dbraw/zinc/10/81/10/176108110.db2.gz GHFUBXZWGADDDU-LLVKDONJSA-N 1 0 220.316 2.132 10 10 BECERO C[C@@H]1CCCN1c1c(F)cc(C[NH3+])cc1F ZINC000062711446 176111705 /nfs/dbraw/zinc/11/17/05/176111705.db2.gz HKMGTPOBEDWBAG-MRVPVSSYSA-N 1 0 226.270 2.412 10 10 BECERO C[C@H]1CN(c2ccc(C[NH3+])c(Cl)c2)CCO1 ZINC000061845506 177277655 /nfs/dbraw/zinc/27/76/55/177277655.db2.gz ZAWPFIPYOVRGFI-VIFPVBQESA-N 1 0 240.734 2.024 10 10 BECERO C[C@H]1COCCN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845691 177293333 /nfs/dbraw/zinc/29/33/33/177293333.db2.gz CUFICQXQNUQLRU-VIFPVBQESA-N 1 0 240.734 2.024 10 10 BECERO CCOc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049694260 535735424 /nfs/dbraw/zinc/73/54/24/535735424.db2.gz ZGEHDEZQVZCRTM-NWDGAFQWSA-N 1 0 234.343 2.401 10 10 BECERO C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000034823296 536469676 /nfs/dbraw/zinc/46/96/76/536469676.db2.gz OQUPCXCMXXEIRU-RYUDHWBXSA-N 1 0 234.343 2.020 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000049713972 536706532 /nfs/dbraw/zinc/70/65/32/536706532.db2.gz NAGWGPKZEKXGMK-YPMHNXCESA-N 1 0 234.343 2.177 10 10 BECERO COc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000049713985 536707179 /nfs/dbraw/zinc/70/71/79/536707179.db2.gz LFXZESGLUNSZOS-NWDGAFQWSA-N 1 0 234.343 2.320 10 10 BECERO CCN1CCC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000124730719 590079701 /nfs/dbraw/zinc/07/97/01/590079701.db2.gz JHUFUGOGXUMLMD-AWEZNQCLSA-N 1 0 248.370 2.275 10 10 BECERO Oc1cccc2c1[C@H]([NH2+][C@H]1CCC[C@H](O)C1)CC2 ZINC000310855839 636667842 /nfs/dbraw/zinc/66/78/42/636667842.db2.gz MYMPAKUHXAHEFV-RWMBFGLXSA-N 1 0 247.338 2.273 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000071407971 643143120 /nfs/dbraw/zinc/14/31/20/643143120.db2.gz RXHMPAUKDQZVRW-CHWSQXEVSA-N 1 0 235.327 2.094 10 10 BECERO CC[N+](C)(CC)CCNc1ccc(N)cc1 ZINC000078019049 717134667 /nfs/dbraw/zinc/13/46/67/717134667.db2.gz NLDJISZLJGAGQZ-UHFFFAOYSA-N 1 0 222.356 2.167 10 10 BECERO [NH3+]C[C@@H]1c2ccccc2-c2c1ccc(O)c2O ZINC000006116931 398280931 /nfs/dbraw/zinc/28/09/31/398280931.db2.gz YLOTUMWDVNOPBU-LLVKDONJSA-N 1 0 227.263 2.169 10 10 in-vivo BECERO CC[N@@H+]1CCC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000033829010 343261610 /nfs/dbraw/zinc/26/16/10/343261610.db2.gz XCSXGGLIBPCJQU-LLVKDONJSA-N 1 0 221.300 2.297 10 10 BECERO CC(C)[N@H+](C)CCCC(=O)Nc1ccc(N)cc1 ZINC000019255678 187252039 /nfs/dbraw/zinc/25/20/39/187252039.db2.gz CLKBDYNAZALUPY-UHFFFAOYSA-N 1 0 249.358 2.328 10 10 BECERO C[NH2+]Cc1ccc(N(C)Cc2ccncc2)cc1 ZINC000036776694 187259047 /nfs/dbraw/zinc/25/90/47/187259047.db2.gz UQBRHWXXECTXJA-UHFFFAOYSA-N 1 0 241.338 2.437 10 10 BECERO Cc1cc(C[NH3+])ccc1N(C)[C@@H]1CCSC1 ZINC000037733216 187259838 /nfs/dbraw/zinc/25/98/38/187259838.db2.gz SUFMQIBTXVMOCE-GFCCVEGCSA-N 1 0 236.384 2.395 10 10 BECERO COc1ccc(N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000084566182 344441961 /nfs/dbraw/zinc/44/19/61/344441961.db2.gz DQGYCHXIMIFDTK-UHFFFAOYSA-N 1 0 246.354 2.275 10 10 BECERO Cc1cc(Cl)cc([C@H]([NH3+])CF)c1O ZINC000238505711 345063713 /nfs/dbraw/zinc/06/37/13/345063713.db2.gz YUVONQVHXLILED-MRVPVSSYSA-N 1 0 203.644 2.323 10 10 BECERO Cc1ccc(O)c([C@@H](C)[NH+]2CCOCC2)c1 ZINC000132448956 345330626 /nfs/dbraw/zinc/33/06/26/345330626.db2.gz NPFFJFSLZQFCBB-LLVKDONJSA-N 1 0 221.300 2.094 10 10 BECERO CC(C)[C@H]([NH3+])c1ccc(N2CCOCC2)cc1 ZINC000115632101 345772034 /nfs/dbraw/zinc/77/20/34/345772034.db2.gz GGAIGNKYDVBTIS-AWEZNQCLSA-N 1 0 234.343 2.179 10 10 BECERO Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1O ZINC000124832722 179092506 /nfs/dbraw/zinc/09/25/06/179092506.db2.gz AMUUFIXWXAMKMO-JSGCOSHPSA-N 1 0 249.354 2.341 10 10 BECERO CC(C)C[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019883122 188004388 /nfs/dbraw/zinc/00/43/88/188004388.db2.gz WTIYSNPLQPRKNQ-VIFPVBQESA-N 1 0 209.289 2.404 10 10 BECERO C[NH2+]Cc1ccc(N2CCCC2)c(F)c1 ZINC000034823026 188273172 /nfs/dbraw/zinc/27/31/72/188273172.db2.gz KHHMJXFHGASZRO-UHFFFAOYSA-N 1 0 208.280 2.145 10 10 BECERO C[NH2+]Cc1ccc(N(C)Cc2cccnc2)cc1 ZINC000036771535 188286342 /nfs/dbraw/zinc/28/63/42/188286342.db2.gz YBAQNPVWKIKWLQ-UHFFFAOYSA-N 1 0 241.338 2.437 10 10 BECERO C[N@@H+]1CCC[C@@H]1CCNc1ccc(N)cc1 ZINC000219098111 355319901 /nfs/dbraw/zinc/31/99/01/355319901.db2.gz QILIVLSPLORNIQ-CYBMUJFWSA-N 1 0 219.332 2.165 10 10 BECERO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000189118874 357616616 /nfs/dbraw/zinc/61/66/16/357616616.db2.gz BWAPCRYJAVMEGX-NWDGAFQWSA-N 1 0 248.370 2.192 10 10 BECERO c1csc(S[C@@H]2CCC[NH2+]CC2)n1 ZINC000300819651 360517302 /nfs/dbraw/zinc/51/73/02/360517302.db2.gz INMXHQFMJQSWSW-MRVPVSSYSA-N 1 0 214.359 2.377 10 10 BECERO OCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020187878 183059668 /nfs/dbraw/zinc/05/96/68/183059668.db2.gz WDAYNQUDDUMGIU-UHFFFAOYSA-N 1 0 231.295 2.017 10 10 BECERO CCC[N@H+](C)[C@H](CN)c1ccc(N(C)C)cc1 ZINC000020226115 169085674 /nfs/dbraw/zinc/08/56/74/169085674.db2.gz SGCZZZGSYZRFKP-CQSZACIVSA-N 1 0 235.375 2.094 10 10 BECERO CCC[NH+](CCC)CC(=O)Nc1ccc(N)cc1 ZINC000022151722 169147505 /nfs/dbraw/zinc/14/75/05/169147505.db2.gz JRGMTFQDHQLCRH-UHFFFAOYSA-N 1 0 249.358 2.329 10 10 BECERO CCCN(c1ccc2c(c1)NC(=O)[C@@H]2[NH3+])C(C)C ZINC000102453795 169182683 /nfs/dbraw/zinc/18/26/83/169182683.db2.gz ANBPAVDJURXTTN-CYBMUJFWSA-N 1 0 247.342 2.263 10 10 BECERO CCC[N@@H+]1CC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000005833927 169206519 /nfs/dbraw/zinc/20/65/19/169206519.db2.gz BQPLSMZHGSFVSL-LLVKDONJSA-N 1 0 221.300 2.297 10 10 BECERO CCC[NH2+][C@H](C)Cc1ccc(O)c(O)c1 ZINC000005834975 169286430 /nfs/dbraw/zinc/28/64/30/169286430.db2.gz GBUQHQGQYVKEHW-SECBINFHSA-N 1 0 209.289 2.028 10 10 BECERO CC[N@H+](CCO)Cc1cc(Cl)cc(C)c1O ZINC000132479051 384233917 /nfs/dbraw/zinc/23/39/17/384233917.db2.gz IWUNWNFDMJTAGU-UHFFFAOYSA-N 1 0 243.734 2.168 10 10 BECERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cc(F)ccc1O ZINC000134243942 384342841 /nfs/dbraw/zinc/34/28/41/384342841.db2.gz QWLADICNYORNAB-HOTUBEGUSA-N 1 0 239.290 2.359 10 10 BECERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(F)ccc1O ZINC000134243925 384342901 /nfs/dbraw/zinc/34/29/01/384342901.db2.gz QWLADICNYORNAB-YGOYTEALSA-N 1 0 239.290 2.359 10 10 BECERO CCN(CC)C1=CCC([N+]#N)C=C1Cl ZINC000138925591 384595533 /nfs/dbraw/zinc/59/55/33/384595533.db2.gz CIQZYTLWXNTZQX-UHFFFAOYSA-N 1 0 211.696 2.409 10 10 BECERO C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000156818418 385109255 /nfs/dbraw/zinc/10/92/55/385109255.db2.gz CWJHMLGDKRKQFV-UHFFFAOYSA-N 1 0 230.105 2.183 10 10 BECERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000052269291 385268474 /nfs/dbraw/zinc/26/84/74/385268474.db2.gz CXMYJFFBZIQBKD-ZWNOBZJWSA-N 1 0 204.317 2.251 10 10 BECERO C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000052067153 385631834 /nfs/dbraw/zinc/63/18/34/385631834.db2.gz YKNOTZCIAZEZII-ZCFIWIBFSA-N 1 0 230.105 2.435 10 10 BECERO [NH3+][C@@H](CC(F)F)c1cc(F)ccc1O ZINC000575437898 387111791 /nfs/dbraw/zinc/11/17/91/387111791.db2.gz CHDWURWGBQQRRL-ZETCQYMHSA-N 1 0 205.179 2.186 10 10 BECERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367707065 388567500 /nfs/dbraw/zinc/56/75/00/388567500.db2.gz LCFFQHSYUZOGHM-DOERSZECSA-N 1 0 247.338 2.244 10 10 BECERO CC(C)=CCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000035650818 132338912 /nfs/dbraw/zinc/33/89/12/132338912.db2.gz PSGCTOOPLDVBGS-UHFFFAOYSA-N 1 0 246.354 2.441 10 10 BECERO C[C@H]([NH3+])c1ccc(N2CCCC[C@@H]2CO)cc1 ZINC000042432313 132352154 /nfs/dbraw/zinc/35/21/54/132352154.db2.gz UBPOUTXFCAJEOT-SMDDNHRTSA-N 1 0 234.343 2.058 10 10 BECERO CC[C@H]1COCCN1c1ccc(C[NH2+]C)c(C)c1 ZINC000050582538 132359342 /nfs/dbraw/zinc/35/93/42/132359342.db2.gz GPJJLXCWEMUYFK-AWEZNQCLSA-N 1 0 248.370 2.330 10 10 BECERO CC(C)C[NH2+][C@H](C)c1cc(O)ccc1O ZINC000019883123 167013691 /nfs/dbraw/zinc/01/36/91/167013691.db2.gz WTIYSNPLQPRKNQ-SECBINFHSA-N 1 0 209.289 2.404 10 10 BECERO CC(C)[C@@H](C)[N@H+](C)Cc1cc(N)ccc1O ZINC000036786387 167367795 /nfs/dbraw/zinc/36/77/95/167367795.db2.gz OBXXMQQYEMYNCJ-SNVBAGLBSA-N 1 0 222.332 2.451 10 10 BECERO CCC(C)(C)[NH2+]Cc1cccc(O)c1O ZINC000041049373 168299063 /nfs/dbraw/zinc/29/90/63/168299063.db2.gz QWWSXNUEZLQRSN-UHFFFAOYSA-N 1 0 209.289 2.376 10 10 BECERO CCOCCC[NH2+][C@H](C)c1ccc(O)cc1O ZINC000019962944 170383174 /nfs/dbraw/zinc/38/31/74/170383174.db2.gz VMESZSSXGFZSLC-SNVBAGLBSA-N 1 0 239.315 2.175 10 10 BECERO CCOc1ccc(N(CC)C[C@H](C)[NH3+])cc1 ZINC000020239651 170549273 /nfs/dbraw/zinc/54/92/73/170549273.db2.gz PUYVJIVVPOYCRR-NSHDSACASA-N 1 0 222.332 2.259 10 10 BECERO CCn1cc[nH+]c1NCc1ccc(N)cc1 ZINC000050614407 172227308 /nfs/dbraw/zinc/22/73/08/172227308.db2.gz TUISRIVTBJIMMU-UHFFFAOYSA-N 1 0 216.288 2.097 10 10 BECERO CN(C)c1ccc(-c2nc(CC[NH3+])cs2)cc1 ZINC000011755520 172547741 /nfs/dbraw/zinc/54/77/41/172547741.db2.gz AHSWYITYXGMWBO-UHFFFAOYSA-N 1 0 247.367 2.377 10 10 BECERO C[N@@H+]1CCC[C@@H]1CCOc1ccc(N)cc1 ZINC000040240444 173026942 /nfs/dbraw/zinc/02/69/42/173026942.db2.gz NGXYSXVDVQRSHD-GFCCVEGCSA-N 1 0 220.316 2.132 10 10 BECERO COc1cccc([C@H]2C[C@@H](C)C[NH2+]2)c1O ZINC000003705247 175296530 /nfs/dbraw/zinc/29/65/30/175296530.db2.gz HXAWLLXWDLNMJH-PSASIEDQSA-N 1 0 207.273 2.071 10 10 BECERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000053115632 176133856 /nfs/dbraw/zinc/13/38/56/176133856.db2.gz MXMTUVUOVLKPPM-IUODEOHRSA-N 1 0 249.354 2.423 10 10 BECERO CC[NH2+]Cc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035777810 535478080 /nfs/dbraw/zinc/47/80/80/535478080.db2.gz CPLAQRIHOVMIMF-LBPRGKRZSA-N 1 0 234.343 2.021 10 10 BECERO CC[NH2+]Cc1ccc(N2CCOC[C@@H]2C)cc1C ZINC000050582163 535478507 /nfs/dbraw/zinc/47/85/07/535478507.db2.gz JSWRTRYFDRCYCU-ZDUSSCGKSA-N 1 0 248.370 2.330 10 10 BECERO CC(C)Oc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000043471004 534999454 /nfs/dbraw/zinc/99/94/54/534999454.db2.gz RSYSLXKYOORMEA-LBPRGKRZSA-N 1 0 234.343 2.401 10 10 BECERO CCOc1ccc(N2CC[NH2+][C@H](CC)C2)cc1 ZINC000016944848 535734963 /nfs/dbraw/zinc/73/49/63/535734963.db2.gz ANXHXQPXYRJJQO-GFCCVEGCSA-N 1 0 234.343 2.274 10 10 BECERO C[NH2+]Cc1ccc(N2C[C@H](C)OC[C@H]2C)cc1 ZINC000035788558 536469656 /nfs/dbraw/zinc/46/96/56/536469656.db2.gz WXLXHYYLBJHJNH-NEPJUHHUSA-N 1 0 234.343 2.020 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])C[C@H]2C)cc1F ZINC000049710990 536706558 /nfs/dbraw/zinc/70/65/58/536706558.db2.gz UBJZIBSCKWYFHQ-ZJUUUORDSA-N 1 0 238.306 2.150 10 10 BECERO Cc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1O ZINC000127876107 590824343 /nfs/dbraw/zinc/82/43/43/590824343.db2.gz PTFNZYGMWWCBIQ-STQMWFEESA-N 1 0 235.327 2.094 10 10 BECERO CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000211214959 591147811 /nfs/dbraw/zinc/14/78/11/591147811.db2.gz WNHDFDSANBSLJX-WAYWQWQTSA-N 1 0 204.317 2.375 10 10 BECERO Cc1cc(Cl)cc(C[NH2+]CC[C@H](C)O)c1O ZINC000133209760 591779560 /nfs/dbraw/zinc/77/95/60/591779560.db2.gz VVRHBYVWELSDRX-VIFPVBQESA-N 1 0 243.734 2.215 10 10 BECERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC2)c1O ZINC000133490257 591803647 /nfs/dbraw/zinc/80/36/47/591803647.db2.gz OAQKRLVHIBYIJZ-LLVKDONJSA-N 1 0 241.718 2.233 10 10 BECERO CC(C)(C)OCC[NH2+]Cc1ccccc1O ZINC000136403669 592116530 /nfs/dbraw/zinc/11/65/30/592116530.db2.gz QFDRBYSGEPLEAB-UHFFFAOYSA-N 1 0 223.316 2.297 10 10 BECERO COCC[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000165167246 633087665 /nfs/dbraw/zinc/08/76/65/633087665.db2.gz MMGQHWKHPOHMPU-SECBINFHSA-N 1 0 227.279 2.046 10 10 BECERO CN(C)c1ccc(CN2CCCC[C@@H]2C[NH3+])cc1 ZINC000044539879 640400902 /nfs/dbraw/zinc/40/09/02/640400902.db2.gz WGVSFSMSOHAWEV-OAHLLOKOSA-N 1 0 247.386 2.066 10 10 BECERO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000061320224 640951881 /nfs/dbraw/zinc/95/18/81/640951881.db2.gz OFJKCLOQKCZGGP-NSHDSACASA-N 1 0 243.310 2.341 10 10 BECERO COc1ccc(N(C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062912231 641106942 /nfs/dbraw/zinc/10/69/42/641106942.db2.gz FUSXPEDNNLKPED-AWEZNQCLSA-N 1 0 234.343 2.131 10 10 BECERO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000071408225 643143761 /nfs/dbraw/zinc/14/37/61/643143761.db2.gz XXBJXVDJTKXKJG-ZDUSSCGKSA-N 1 0 235.327 2.359 10 10 BECERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000049948672 643564271 /nfs/dbraw/zinc/56/42/71/643564271.db2.gz RFMYJEKYMRSLNI-DZGCQCFKSA-N 1 0 247.338 2.279 10 10 BECERO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N(C)C)C2)c1 ZINC000164281578 644168129 /nfs/dbraw/zinc/16/81/29/644168129.db2.gz QQOKSCGAJYHFNZ-AWEZNQCLSA-N 1 0 248.370 2.145 10 10 BECERO Cc1cc(C[NH2+]C(C)C)ccc1N1CC[C@H](O)C1 ZINC000061711148 178016808 /nfs/dbraw/zinc/01/68/08/178016808.db2.gz JTWXBTMFNJFYRV-AWEZNQCLSA-N 1 0 248.370 2.064 10 10 BECERO Cc1cc(N(C)[C@@H]2CCSC2)ccc1C[NH3+] ZINC000050582005 178100895 /nfs/dbraw/zinc/10/08/95/178100895.db2.gz IVABLUZEDCZLSP-CYBMUJFWSA-N 1 0 236.384 2.395 10 10 BECERO Cc1cc(N2CC[C@@H](C)C2)ccc1C[NH3+] ZINC000050582900 178117705 /nfs/dbraw/zinc/11/77/05/178117705.db2.gz VMIMWUUDOFSWRJ-SNVBAGLBSA-N 1 0 204.317 2.300 10 10 BECERO CCOC[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146333310 342767736 /nfs/dbraw/zinc/76/77/36/342767736.db2.gz RYJLSTPBGYAOFV-AWEZNQCLSA-N 1 0 234.343 2.270 10 10 BECERO Cc1cc(Cl)cc([C@@H]([NH3+])CF)c1O ZINC000238505214 345063693 /nfs/dbraw/zinc/06/36/93/345063693.db2.gz YUVONQVHXLILED-QMMMGPOBSA-N 1 0 203.644 2.323 10 10 BECERO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1O ZINC000160191888 179084308 /nfs/dbraw/zinc/08/43/08/179084308.db2.gz RHNPZSVRRYSPRG-TZMCWYRMSA-N 1 0 248.370 2.083 10 10 BECERO CCOC(=O)[n+]1ccc2ccccc2c1 ZINC000039277336 350069836 /nfs/dbraw/zinc/06/98/36/350069836.db2.gz BMADJTHCUVNIFZ-UHFFFAOYSA-N 1 0 202.233 2.132 10 10 BECERO CN(C)c1ccc(C[NH3+])c(Br)c1F ZINC000231838820 351400144 /nfs/dbraw/zinc/40/01/44/351400144.db2.gz ITGRNFXIXZIPKA-UHFFFAOYSA-N 1 0 247.111 2.113 10 10 BECERO CCCCCN(C)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036194703 168686847 /nfs/dbraw/zinc/68/68/47/168686847.db2.gz AKMYKXRVFUFGNZ-ZDUSSCGKSA-N 1 0 247.342 2.265 10 10 BECERO C[NH2+]Cc1ccc(N(C)[C@@H](C)COC)c(F)c1 ZINC000042519061 188120706 /nfs/dbraw/zinc/12/07/06/188120706.db2.gz NOAXRDGVVIRQPS-JTQLQIEISA-N 1 0 240.322 2.016 10 10 BECERO CC(C)Oc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000042325593 358346973 /nfs/dbraw/zinc/34/69/73/358346973.db2.gz ARGONCXNTQHEDA-UHFFFAOYSA-N 1 0 234.343 2.274 10 10 BECERO c1csc(S[C@H]2CCC[NH2+]CC2)n1 ZINC000300819654 360517276 /nfs/dbraw/zinc/51/72/76/360517276.db2.gz INMXHQFMJQSWSW-QMMMGPOBSA-N 1 0 214.359 2.377 10 10 BECERO Nc1ccc(CCCC[NH2+]C2CC2)cc1 ZINC000049812974 181705377 /nfs/dbraw/zinc/70/53/77/181705377.db2.gz RWJVBGMOSMYVRK-UHFFFAOYSA-N 1 0 204.317 2.344 10 10 BECERO Oc1ccc(CC[NH2+]Cc2ccccc2)cc1O ZINC000003635665 183268926 /nfs/dbraw/zinc/26/89/26/183268926.db2.gz VFXBAOSXGMLCEF-UHFFFAOYSA-N 1 0 243.306 2.430 10 10 BECERO Oc1cccc(O)c1CNc1cc[nH+]cc1 ZINC000039097795 183293152 /nfs/dbraw/zinc/29/31/52/183293152.db2.gz HBCIVRUVOOEQMV-UHFFFAOYSA-N 1 0 216.240 2.105 10 10 BECERO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)CC2 ZINC000297598665 183298131 /nfs/dbraw/zinc/29/81/31/183298131.db2.gz HYEGSPCEBXXGCB-UPJWGTAASA-N 1 0 247.338 2.273 10 10 BECERO CCC[N@@H+]1CC[C@H](c2ccc(O)c(O)c2)C1 ZINC000005833915 169208154 /nfs/dbraw/zinc/20/81/54/169208154.db2.gz BQPLSMZHGSFVSL-NSHDSACASA-N 1 0 221.300 2.297 10 10 BECERO c1cc(C[NH2+]CC[C@@H]2CCCO2)cc2c1OCC2 ZINC000038052049 183367587 /nfs/dbraw/zinc/36/75/87/183367587.db2.gz YWSXVGWIKGVXLA-AWEZNQCLSA-N 1 0 247.338 2.280 10 10 BECERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cc(F)ccc1O ZINC000134243982 384342704 /nfs/dbraw/zinc/34/27/04/384342704.db2.gz QWLADICNYORNAB-AUTRQRHGSA-N 1 0 239.290 2.359 10 10 BECERO CCOc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1O ZINC000052270891 384725022 /nfs/dbraw/zinc/72/50/22/384725022.db2.gz QFUKZBBNUFJRLH-ONGXEEELSA-N 1 0 221.300 2.289 10 10 BECERO COc1cccc([C@H]([NH3+])CC(F)F)c1O ZINC000575436428 387100536 /nfs/dbraw/zinc/10/05/36/387100536.db2.gz AGWSRDNWONNCPS-SSDOTTSWSA-N 1 0 217.215 2.056 10 10 BECERO Cc1cccc([C@@H]([NH3+])CC(F)F)c1O ZINC000575437633 387108838 /nfs/dbraw/zinc/10/88/38/387108838.db2.gz KZCDRLDRUAYQQS-QMMMGPOBSA-N 1 0 201.216 2.356 10 10 BECERO COc1cccc(O)c1[C@@H]([NH3+])CC(F)F ZINC000575437740 387111247 /nfs/dbraw/zinc/11/12/47/387111247.db2.gz RWVJIFNLPITDRY-LURJTMIESA-N 1 0 217.215 2.056 10 10 BECERO Oc1ccccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230316722 387261317 /nfs/dbraw/zinc/26/13/17/387261317.db2.gz MUYCQTDVTVLDJI-GXTWGEPZSA-N 1 0 233.311 2.049 10 10 BECERO [NH3+][C@@H](CCF)c1cc(Cl)ccc1O ZINC000575439204 388627040 /nfs/dbraw/zinc/62/70/40/388627040.db2.gz PVIUJLIMUOMDKF-QMMMGPOBSA-N 1 0 203.644 2.405 10 10 BECERO CCCCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000019688460 132326164 /nfs/dbraw/zinc/32/61/64/132326164.db2.gz SYXNDZQZMXENBM-UHFFFAOYSA-N 1 0 234.343 2.275 10 10 BECERO [NH3+]Cc1ccc(N2CCCCC2)c(F)c1 ZINC000020469723 132331680 /nfs/dbraw/zinc/33/16/80/132331680.db2.gz QHXIOYYKNYOFRL-UHFFFAOYSA-N 1 0 208.280 2.275 10 10 BECERO CC(C)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000034823448 132336996 /nfs/dbraw/zinc/33/69/96/132336996.db2.gz ZTBZQGJCBVPSAT-CYBMUJFWSA-N 1 0 248.370 2.410 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCOC[C@H]2C)c(F)c1 ZINC000035776811 132339331 /nfs/dbraw/zinc/33/93/31/132339331.db2.gz QDGDCAOWXVBJIH-NXEZZACHSA-N 1 0 238.306 2.071 10 10 BECERO C[NH2+]Cc1ccc(N2CCSCC2)c(C)c1 ZINC000050560029 132359157 /nfs/dbraw/zinc/35/91/57/132359157.db2.gz KHZIHAWFUIQJHI-UHFFFAOYSA-N 1 0 236.384 2.268 10 10 BECERO C[C@@H]1CN(c2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000083370281 132424341 /nfs/dbraw/zinc/42/43/41/132424341.db2.gz NOGIJTDMALOFQU-SECBINFHSA-N 1 0 242.269 2.086 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1O ZINC000249174627 135035739 /nfs/dbraw/zinc/03/57/39/135035739.db2.gz LXAJAYFVXHQQLK-MJBXVCDLSA-N 1 0 247.338 2.358 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000250089258 135049507 /nfs/dbraw/zinc/04/95/07/135049507.db2.gz QBCJSHQOGSTHAW-OUCADQQQSA-N 1 0 233.311 2.049 10 10 BECERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297744201 410047533 /nfs/dbraw/zinc/04/75/33/410047533.db2.gz OBOXLGPDCUWIOD-AAEUAGOBSA-N 1 0 249.354 2.376 10 10 BECERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297744208 410047550 /nfs/dbraw/zinc/04/75/50/410047550.db2.gz OBOXLGPDCUWIOD-YPMHNXCESA-N 1 0 249.354 2.376 10 10 BECERO CC(C)C[NH2+]Cc1ccc(N2CC[C@@H](O)C2)cc1 ZINC000062738297 167007752 /nfs/dbraw/zinc/00/77/52/167007752.db2.gz LBVDXDCKXHAZRJ-OAHLLOKOSA-N 1 0 248.370 2.003 10 10 BECERO CC(C)C[NH2+]Cc1ccc(N2CC[C@H](O)C2)cc1 ZINC000062738296 167007982 /nfs/dbraw/zinc/00/79/82/167007982.db2.gz LBVDXDCKXHAZRJ-HNNXBMFYSA-N 1 0 248.370 2.003 10 10 BECERO CCN(CC)c1ccc2c(c1)OCC[NH2+]C2 ZINC000049453802 169804779 /nfs/dbraw/zinc/80/47/79/169804779.db2.gz IGFVSRAMYPHRFF-UHFFFAOYSA-N 1 0 220.316 2.015 10 10 BECERO CCC(C)(C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000019879763 168299343 /nfs/dbraw/zinc/29/93/43/168299343.db2.gz NJRNIDZGDHWQMN-UHFFFAOYSA-N 1 0 209.289 2.376 10 10 BECERO CCOc1ccc(N(C)[C@H](C)CC[NH3+])cc1 ZINC000049819007 170549616 /nfs/dbraw/zinc/54/96/16/170549616.db2.gz VIPDTJCAGXQAFM-LLVKDONJSA-N 1 0 222.332 2.259 10 10 BECERO CCn1ncc(C[NH2+]Cc2ccccc2O)c1C ZINC000020352498 172255439 /nfs/dbraw/zinc/25/54/39/172255439.db2.gz NJJGKGVYAZGKBF-UHFFFAOYSA-N 1 0 245.326 2.207 10 10 BECERO CN(C)c1ccc(C[NH2+]Cc2ccc[nH]2)cc1 ZINC000048463029 172553330 /nfs/dbraw/zinc/55/33/30/172553330.db2.gz ZOBXDAKYAPBYDF-UHFFFAOYSA-N 1 0 229.327 2.371 10 10 BECERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(N)cc1 ZINC000044563526 173005896 /nfs/dbraw/zinc/00/58/96/173005896.db2.gz KJCYTTKLRMCLMU-CYBMUJFWSA-N 1 0 219.332 2.165 10 10 BECERO C[N@@H+]1CCCC[C@H]1CNc1ccc(N)cc1 ZINC000044563528 173009277 /nfs/dbraw/zinc/00/92/77/173009277.db2.gz KJCYTTKLRMCLMU-ZDUSSCGKSA-N 1 0 219.332 2.165 10 10 BECERO C[N@@H+]1CC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000042545204 173125403 /nfs/dbraw/zinc/12/54/03/173125403.db2.gz UTKOAOOZBVKKAX-MRVPVSSYSA-N 1 0 225.723 2.038 10 10 BECERO C[NH2+]Cc1ccc(N2CC[C@H](C)C2)cc1 ZINC000040719239 173389003 /nfs/dbraw/zinc/38/90/03/173389003.db2.gz LVWVSVUWZWIIRT-NSHDSACASA-N 1 0 204.317 2.252 10 10 BECERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1C ZINC000089151245 175107373 /nfs/dbraw/zinc/10/73/73/175107373.db2.gz APNBLAOFLPWNQC-KBPBESRZSA-N 1 0 249.354 2.254 10 10 BECERO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1C ZINC000120837582 175110386 /nfs/dbraw/zinc/11/03/86/175110386.db2.gz NXFQXZZAQMYTMT-WCQYABFASA-N 1 0 235.327 2.271 10 10 BECERO COc1ccc(N(C)CCC[NH2+]C2CC2)cc1 ZINC000049971126 175136467 /nfs/dbraw/zinc/13/64/67/175136467.db2.gz DQDXPPFQNIEVEX-UHFFFAOYSA-N 1 0 234.343 2.274 10 10 BECERO COc1ccc(O)c(C[NH2+]C(C)(C)C)c1 ZINC000020084205 175157058 /nfs/dbraw/zinc/15/70/58/175157058.db2.gz AZJNMOGBDZIYMH-UHFFFAOYSA-N 1 0 209.289 2.289 10 10 BECERO C[C@@H]1COCCN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845690 176337866 /nfs/dbraw/zinc/33/78/66/176337866.db2.gz CUFICQXQNUQLRU-SECBINFHSA-N 1 0 240.734 2.024 10 10 BECERO C[C@H]1[NH2+]CCC[C@]1(C)c1ccc(O)c(O)c1 ZINC000039098389 177396663 /nfs/dbraw/zinc/39/66/63/177396663.db2.gz UINJNTGRCFEESO-RNCFNFMXSA-N 1 0 221.300 2.127 10 10 BECERO CC[C@H]([NH2+]CC1CC(O)C1)c1ccccc1O ZINC000091524152 325687050 /nfs/dbraw/zinc/68/70/50/325687050.db2.gz QYHAXELNEHLPAN-XIVSLSHWSA-N 1 0 235.327 2.204 10 10 BECERO CC[C@H]1CN(c2ccc([C@@H](C)[NH3+])cc2)CCO1 ZINC000036770087 536161877 /nfs/dbraw/zinc/16/18/77/536161877.db2.gz PGSHISSOOXQJAE-RISCZKNCSA-N 1 0 234.343 2.322 10 10 BECERO C[NH2+][C@H](C)c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000034838176 536406802 /nfs/dbraw/zinc/40/68/02/536406802.db2.gz CFADKXDIQVSRSK-VXGBXAGGSA-N 1 0 234.343 2.192 10 10 BECERO COc1ccc(N2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000071550340 536704828 /nfs/dbraw/zinc/70/48/28/536704828.db2.gz SKMQCAXKGIIJNB-VIFPVBQESA-N 1 0 240.734 2.147 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000049710971 536707378 /nfs/dbraw/zinc/70/73/78/536707378.db2.gz CZPQERYCKVGVEF-SKDRFNHKSA-N 1 0 238.306 2.008 10 10 BECERO CC[C@H]([NH3+])c1cc(Cl)cc(OC)c1O ZINC000757142839 582522809 /nfs/dbraw/zinc/52/28/09/582522809.db2.gz DEHAUCFBTJNIOP-QMMMGPOBSA-N 1 0 215.680 2.464 10 10 BECERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1O ZINC000217674754 583172564 /nfs/dbraw/zinc/17/25/64/583172564.db2.gz VBJMPIMXLLEPPD-QJPTWQEYSA-N 1 0 235.327 2.346 10 10 BECERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1O ZINC000127876545 590823477 /nfs/dbraw/zinc/82/34/77/590823477.db2.gz PTFNZYGMWWCBIQ-QWHCGFSZSA-N 1 0 235.327 2.094 10 10 BECERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1O ZINC000217674926 592148194 /nfs/dbraw/zinc/14/81/94/592148194.db2.gz VBJMPIMXLLEPPD-SDDRHHMPSA-N 1 0 235.327 2.346 10 10 BECERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000308907559 632394298 /nfs/dbraw/zinc/39/42/98/632394298.db2.gz PJGSHLZDDLRLIQ-FBIMIBRVSA-N 1 0 203.285 2.378 10 10 BECERO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)CC2 ZINC000310855838 636667168 /nfs/dbraw/zinc/66/71/68/636667168.db2.gz MYMPAKUHXAHEFV-JHJVBQTASA-N 1 0 247.338 2.273 10 10 BECERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c(O)c1 ZINC000040672511 641534777 /nfs/dbraw/zinc/53/47/77/641534777.db2.gz SDRWDOPHLDAIFU-OLZOCXBDSA-N 1 0 248.370 2.445 10 10 BECERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(N(C)C)cc1 ZINC000091424855 644624759 /nfs/dbraw/zinc/62/47/59/644624759.db2.gz WWTCJYUKYSFVFH-BZUNDVKYSA-N 1 0 248.370 2.174 10 10 BECERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037363585 712574893 /nfs/dbraw/zinc/57/48/93/712574893.db2.gz MAJJXLWISYVWRA-KGLIPLIRSA-N 1 0 247.338 2.015 10 10 BECERO COc1ccc(C[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000040906143 1171157353 /nfs/dbraw/zinc/15/73/53/1171157353.db2.gz ZFQVHUNRWGPDGB-VIFPVBQESA-N 1 0 221.300 2.289 10 10 BECERO Cc1cc(N2CCC[C@@H]2C)ccc1C[NH3+] ZINC000050582732 178114289 /nfs/dbraw/zinc/11/42/89/178114289.db2.gz OHQWNWOBRJIYTI-NSHDSACASA-N 1 0 204.317 2.442 10 10 BECERO CCC(CC)N(CCO)c1ccc(C[NH3+])cc1 ZINC000042482744 168374817 /nfs/dbraw/zinc/37/48/17/168374817.db2.gz ZEPSZXBNCZHJOY-UHFFFAOYSA-N 1 0 236.359 2.133 10 10 BECERO Nc1ccc(Oc2cc[nH+]c(N)c2)cc1 ZINC000117440892 342994533 /nfs/dbraw/zinc/99/45/33/342994533.db2.gz BKLXHPZXSMBRMT-UHFFFAOYSA-N 1 0 201.229 2.038 10 10 BECERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000077204178 191006027 /nfs/dbraw/zinc/00/60/27/191006027.db2.gz YUCCZJZUFGMHCE-JSGCOSHPSA-N 1 0 249.354 2.341 10 10 BECERO [NH3+]CC[C@H]([NH3+])c1c([O-])cc(Cl)cc1Cl ZINC000306773759 351015090 /nfs/dbraw/zinc/01/50/90/351015090.db2.gz JAOKPZYEIFRRCC-ZETCQYMHSA-N 1 0 235.114 2.048 10 10 BECERO CN(c1ccc(C[NH3+])cc1Cl)C1CC1 ZINC000062792853 188487144 /nfs/dbraw/zinc/48/71/44/188487144.db2.gz VUWVGHLOWVXFMZ-UHFFFAOYSA-N 1 0 210.708 2.397 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1O ZINC000188570705 357562780 /nfs/dbraw/zinc/56/27/80/357562780.db2.gz LXAJAYFVXHQQLK-MGPQQGTHSA-N 1 0 247.338 2.358 10 10 BECERO Cc1ccc(C(=O)C[N+]#N)c(Br)c1 ZINC000584613054 358107160 /nfs/dbraw/zinc/10/71/60/358107160.db2.gz SXBVVDUCSSJTSC-UHFFFAOYSA-N 1 0 239.072 2.241 10 10 BECERO CCOC[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050286923 358721964 /nfs/dbraw/zinc/72/19/64/358721964.db2.gz DXSGSRVWBKRANP-LBPRGKRZSA-N 1 0 248.370 2.194 10 10 BECERO CCC[N@H+](C)[C@@H]1CCc2c(O)c(O)ccc2C1 ZINC000095913214 169087249 /nfs/dbraw/zinc/08/72/49/169087249.db2.gz PGJVWCCOINQJTB-LLVKDONJSA-N 1 0 235.327 2.297 10 10 BECERO CCC[N@H+](C)[C@H]1CCc2cc(O)c(O)cc2C1 ZINC000006380222 169088573 /nfs/dbraw/zinc/08/85/73/169088573.db2.gz HFZBRDRTJMQKHA-LBPRGKRZSA-N 1 0 235.327 2.297 10 10 BECERO CCC[NH2+]CCc1ccc(O)c(O)c1Cl ZINC000029346844 169261726 /nfs/dbraw/zinc/26/17/26/169261726.db2.gz WRMPNQFZMPWYFI-UHFFFAOYSA-N 1 0 229.707 2.293 10 10 BECERO CCC[NH2+][C@H](C)c1ccc(N(C)CCO)cc1 ZINC000037899431 169287379 /nfs/dbraw/zinc/28/73/79/169287379.db2.gz VHUHPDCVRRLYRS-GFCCVEGCSA-N 1 0 236.359 2.176 10 10 BECERO CCC[NH2+]Cc1ccc(N2CCC[C@H]2CO)cc1 ZINC000042433177 169266559 /nfs/dbraw/zinc/26/65/59/169266559.db2.gz XWBYUAHQHDUOHQ-HNNXBMFYSA-N 1 0 248.370 2.147 10 10 BECERO [NH3+]CCc1ccc(O)c(O)c1-c1ccccc1 ZINC000029559415 383999440 /nfs/dbraw/zinc/99/94/40/383999440.db2.gz DAKLNHHLHPIOPS-UHFFFAOYSA-N 1 0 229.279 2.266 10 10 in-vivo BECERO [NH3+][C@@H]1Cc2cc(O)c(O)cc2-c2ccccc21 ZINC000169322325 384671857 /nfs/dbraw/zinc/67/18/57/384671857.db2.gz VLDQYOSVSLSGCV-GFCCVEGCSA-N 1 0 227.263 2.321 10 10 BECERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1C ZINC000052000445 384707999 /nfs/dbraw/zinc/70/79/99/384707999.db2.gz MBYFNMWUBWBAGR-KGLIPLIRSA-N 1 0 249.354 2.397 10 10 BECERO CCOc1cccc(C[NH2+][C@H]2C[C@H]2C)c1O ZINC000052270897 384728623 /nfs/dbraw/zinc/72/86/23/384728623.db2.gz QFUKZBBNUFJRLH-KOLCDFICSA-N 1 0 221.300 2.289 10 10 BECERO [NH3+]Cc1cc(Sc2nccs2)ccn1 ZINC000061812361 384790526 /nfs/dbraw/zinc/79/05/26/384790526.db2.gz UUCYRPOWETYJTH-UHFFFAOYSA-N 1 0 223.326 2.148 10 10 BECERO Cc1cnn(CC[NH2+][C@H](C)c2ccccc2O)c1 ZINC000179895489 385498060 /nfs/dbraw/zinc/49/80/60/385498060.db2.gz QWSOGQOETCZKJJ-GFCCVEGCSA-N 1 0 245.326 2.248 10 10 BECERO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCO1 ZINC000226584559 386338447 /nfs/dbraw/zinc/33/84/47/386338447.db2.gz CXDAKJQUAHJQPX-NOZJJQNGSA-N 1 0 239.290 2.188 10 10 BECERO [NH3+][C@H](CC(F)F)c1cc(F)ccc1O ZINC000575437277 387107807 /nfs/dbraw/zinc/10/78/07/387107807.db2.gz CHDWURWGBQQRRL-SSDOTTSWSA-N 1 0 205.179 2.186 10 10 BECERO CCOc1cccc([C@@H]([NH3+])CCF)c1O ZINC000575438417 387129168 /nfs/dbraw/zinc/12/91/68/387129168.db2.gz KMDYTHCDYFDOSM-VIFPVBQESA-N 1 0 213.252 2.150 10 10 BECERO [NH3+]C[C@H]1CCC[C@H]1Sc1nccs1 ZINC000040677145 388017364 /nfs/dbraw/zinc/01/73/64/388017364.db2.gz OPVBRCRXGXOUEF-HTQZYQBOSA-N 1 0 214.359 2.363 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000035438954 132338262 /nfs/dbraw/zinc/33/82/62/132338262.db2.gz UBAGSDZWGFFCEY-SDDRHHMPSA-N 1 0 234.343 2.320 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)OC[C@H]2C)cc1 ZINC000035786989 132339781 /nfs/dbraw/zinc/33/97/81/132339781.db2.gz KRGZAUYJNACMQQ-IJLUTSLNSA-N 1 0 234.343 2.320 10 10 BECERO CC[C@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])cc1 ZINC000036794467 132342774 /nfs/dbraw/zinc/34/27/74/132342774.db2.gz QVEIICLLWVPKHY-AAEUAGOBSA-N 1 0 234.343 2.149 10 10 BECERO COCCC[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286183 132358877 /nfs/dbraw/zinc/35/88/77/132358877.db2.gz TUXQIWLSYQNMIK-UHFFFAOYSA-N 1 0 248.370 2.195 10 10 BECERO C[C@@H]1CN(c2ccc(C[NH3+])cc2Cl)CCO1 ZINC000062792803 132388773 /nfs/dbraw/zinc/38/87/73/132388773.db2.gz LMVZGGKZOZDYAR-SECBINFHSA-N 1 0 240.734 2.024 10 10 BECERO Oc1ccccc1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000180015184 134325885 /nfs/dbraw/zinc/32/58/85/134325885.db2.gz QDZMYFJBSCXUBO-UHFFFAOYSA-N 1 0 246.354 2.062 10 10 BECERO CC(C)C[NH2+][C@H](C)c1ccc(O)cc1O ZINC000019883083 167013746 /nfs/dbraw/zinc/01/37/46/167013746.db2.gz POASXOMWVVEJIJ-SECBINFHSA-N 1 0 209.289 2.404 10 10 BECERO CC[NH2+]Cc1ccc(N2CCCOCC2)c(C)c1 ZINC000061920182 170127281 /nfs/dbraw/zinc/12/72/81/170127281.db2.gz YCHZNTOODNQODQ-UHFFFAOYSA-N 1 0 248.370 2.331 10 10 BECERO CC[NH2+][C@@H]1c2ccc(N(CC)CC)cc2NC1=O ZINC000102452216 170165743 /nfs/dbraw/zinc/16/57/43/170165743.db2.gz AYRKXFZPEBZOJY-CYBMUJFWSA-N 1 0 247.342 2.136 10 10 BECERO CCOCCN(CC)c1ccc(C[NH3+])cc1C ZINC000104201781 170396759 /nfs/dbraw/zinc/39/67/59/170396759.db2.gz QYUVERUUNGYKNY-UHFFFAOYSA-N 1 0 236.359 2.317 10 10 BECERO CCOc1ccc(N2CCC[NH2+]CC2)cc1F ZINC000077383982 170550045 /nfs/dbraw/zinc/55/00/45/170550045.db2.gz LNTJHENPKKJPRE-UHFFFAOYSA-N 1 0 238.306 2.024 10 10 BECERO CCn1ccnc1[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000011735310 172230137 /nfs/dbraw/zinc/23/01/37/172230137.db2.gz LHUFNCJVPZIMMC-CYBMUJFWSA-N 1 0 244.342 2.017 10 10 BECERO CN(CC(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000034653766 172630472 /nfs/dbraw/zinc/63/04/72/172630472.db2.gz RLPDGRYEWWSSAR-UHFFFAOYSA-N 1 0 218.222 2.144 10 10 BECERO C[N@@H+]1CCC[C@H](CNc2ccc(N)cc2)C1 ZINC000044535317 173042314 /nfs/dbraw/zinc/04/23/14/173042314.db2.gz DPUGCSWTTZCKHP-LLVKDONJSA-N 1 0 219.332 2.023 10 10 BECERO C[NH2+]Cc1ccc(OC)c(COC2CCC2)c1 ZINC000050519958 173389078 /nfs/dbraw/zinc/38/90/78/173389078.db2.gz OSCZQLCDSQTVNI-UHFFFAOYSA-N 1 0 235.327 2.484 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC(F)F)cc2)C1 ZINC000037242370 173467024 /nfs/dbraw/zinc/46/70/24/173467024.db2.gz TZAOOSBIEOEQTO-VIFPVBQESA-N 1 0 242.269 2.086 10 10 BECERO COCCCN(c1ccc(C[NH3+])cc1)C1CC1 ZINC000037753598 174226452 /nfs/dbraw/zinc/22/64/52/174226452.db2.gz NIKPBDBDPKSGEQ-UHFFFAOYSA-N 1 0 234.343 2.151 10 10 BECERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1C ZINC000052000452 175112454 /nfs/dbraw/zinc/11/24/54/175112454.db2.gz MBYFNMWUBWBAGR-UONOGXRCSA-N 1 0 249.354 2.397 10 10 BECERO COc1ccc(N2CCC[NH2+]CCC2)cc1F ZINC000049666147 175139251 /nfs/dbraw/zinc/13/92/51/175139251.db2.gz VIERFJXXRMKRSW-UHFFFAOYSA-N 1 0 238.306 2.024 10 10 BECERO C[C@@H](c1ccc(N(C)C)cc1)N1CCC[NH2+]CC1 ZINC000038087087 176015103 /nfs/dbraw/zinc/01/51/03/176015103.db2.gz RWWAAOISEMNFFF-ZDUSSCGKSA-N 1 0 247.386 2.109 10 10 BECERO C[C@@H]1CCC[N@@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037910261 176109815 /nfs/dbraw/zinc/10/98/15/176109815.db2.gz STYIDRPZDOTZHU-DOMZBBRYSA-N 1 0 247.386 2.237 10 10 BECERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1O ZINC000134236829 176925609 /nfs/dbraw/zinc/92/56/09/176925609.db2.gz WLJRWYKTQJNOSY-UMNHJUIQSA-N 1 0 221.300 2.220 10 10 BECERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000245847029 177280713 /nfs/dbraw/zinc/28/07/13/177280713.db2.gz CIRLETGMTNOXEE-JSGCOSHPSA-N 1 0 246.354 2.061 10 10 BECERO CCO[C@H]1CCCN(c2ccc(C[NH3+])cc2C)C1 ZINC000042408138 535621600 /nfs/dbraw/zinc/62/16/00/535621600.db2.gz DBUUEDWSKWRBMP-AWEZNQCLSA-N 1 0 248.370 2.459 10 10 BECERO CC[C@@H]1COCCN1c1ccc(C[NH2+]C)c(C)c1 ZINC000050582536 535837028 /nfs/dbraw/zinc/83/70/28/535837028.db2.gz GPJJLXCWEMUYFK-CQSZACIVSA-N 1 0 248.370 2.330 10 10 BECERO C[NH2+][C@H](C)c1ccc(N2CCOC[C@H]2C)cc1 ZINC000035776748 536406440 /nfs/dbraw/zinc/40/64/40/536406440.db2.gz KSSHDGDGUOWJAM-VXGBXAGGSA-N 1 0 234.343 2.192 10 10 BECERO COc1ccc(N2CCC([NH3+])CC2)cc1Cl ZINC000037483433 536669777 /nfs/dbraw/zinc/66/97/77/536669777.db2.gz UYBYZLJIEPPCRA-UHFFFAOYSA-N 1 0 240.734 2.276 10 10 BECERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000308907561 632394252 /nfs/dbraw/zinc/39/42/52/632394252.db2.gz PJGSHLZDDLRLIQ-MIMYLULJSA-N 1 0 203.285 2.378 10 10 BECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C)C2)c1 ZINC000040672736 636935642 /nfs/dbraw/zinc/93/56/42/636935642.db2.gz IJFHJRNTOZNNQL-STQMWFEESA-N 1 0 248.370 2.445 10 10 BECERO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000226584327 640777744 /nfs/dbraw/zinc/77/77/44/640777744.db2.gz NZVLHSKCHJGHPH-LBPRGKRZSA-N 1 0 239.290 2.190 10 10 BECERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c(O)c1 ZINC000040672509 641533793 /nfs/dbraw/zinc/53/37/93/641533793.db2.gz SDRWDOPHLDAIFU-CHWSQXEVSA-N 1 0 248.370 2.445 10 10 BECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c(O)c1 ZINC000040672510 641534030 /nfs/dbraw/zinc/53/40/30/641534030.db2.gz SDRWDOPHLDAIFU-QWHCGFSZSA-N 1 0 248.370 2.445 10 10 BECERO Cc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1O ZINC000154657975 642173277 /nfs/dbraw/zinc/17/32/77/642173277.db2.gz GBPWHVAWMATYFW-CYBMUJFWSA-N 1 0 248.370 2.084 10 10 BECERO Cc1cccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1O ZINC000154658098 642174158 /nfs/dbraw/zinc/17/41/58/642174158.db2.gz GBPWHVAWMATYFW-ZDUSSCGKSA-N 1 0 248.370 2.084 10 10 BECERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000049948675 643564463 /nfs/dbraw/zinc/56/44/63/643564463.db2.gz RFMYJEKYMRSLNI-HIFRSBDPSA-N 1 0 247.338 2.279 10 10 BECERO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N(C)C)C2)c1 ZINC000164281700 644167585 /nfs/dbraw/zinc/16/75/85/644167585.db2.gz QQOKSCGAJYHFNZ-CQSZACIVSA-N 1 0 248.370 2.145 10 10 BECERO CC[C@H]([NH2+]C1CC(CO)C1)c1ccccc1O ZINC000705187817 712125317 /nfs/dbraw/zinc/12/53/17/712125317.db2.gz RDNQDNQMYNGAHF-XIVSLSHWSA-N 1 0 235.327 2.204 10 10 BECERO CC[N@@H+]1CCC[C@H](c2ccc(O)c(O)c2)C1 ZINC000033829008 343261504 /nfs/dbraw/zinc/26/15/04/343261504.db2.gz XCSXGGLIBPCJQU-NSHDSACASA-N 1 0 221.300 2.297 10 10 BECERO CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000040905603 343410539 /nfs/dbraw/zinc/41/05/39/343410539.db2.gz QPVBUGNWCRXHNZ-SECBINFHSA-N 1 0 209.289 2.289 10 10 BECERO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1O ZINC000124704053 179096792 /nfs/dbraw/zinc/09/67/92/179096792.db2.gz UYFQDPPOLHJHSW-WCQYABFASA-N 1 0 235.327 2.358 10 10 BECERO C[NH+]1CCC(CCOc2ccc(N)cc2)CC1 ZINC000072284347 350203991 /nfs/dbraw/zinc/20/39/91/350203991.db2.gz HELIWZNSYHMKGL-UHFFFAOYSA-N 1 0 234.343 2.380 10 10 BECERO Cc1cc(N(C)C[C@@H]2CCCOC2)ccc1C[NH3+] ZINC000104193785 187804817 /nfs/dbraw/zinc/80/48/17/187804817.db2.gz ZYHLUFXZXRCDIS-ZDUSSCGKSA-N 1 0 248.370 2.317 10 10 BECERO NC(=[NH2+])c1ccc(COc2ccc(N)cc2)cc1 ZINC000096910535 181193578 /nfs/dbraw/zinc/19/35/78/181193578.db2.gz OBYZIOPZMHWDOG-UHFFFAOYSA-N 1 0 241.294 2.132 10 10 BECERO Cc1ncsc1-c1ccc(C[NH3+])c(O)c1 ZINC000223321133 358224103 /nfs/dbraw/zinc/22/41/03/358224103.db2.gz FEERNGCQHPIBTC-UHFFFAOYSA-N 1 0 220.297 2.283 10 10 BECERO [NH3+]CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000306578692 360468653 /nfs/dbraw/zinc/46/86/53/360468653.db2.gz MJSAWBJQRYQSJQ-QMMMGPOBSA-N 1 0 235.114 2.048 10 10 BECERO Nc1ccc2c(ccn2CC[NH+]2CCCC2)c1 ZINC000108253522 368561066 /nfs/dbraw/zinc/56/10/66/368561066.db2.gz VKDVFUSENKSPEY-UHFFFAOYSA-N 1 0 229.327 2.319 10 10 BECERO N#[N+]CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004837086 368973213 /nfs/dbraw/zinc/97/32/13/368973213.db2.gz GONIHHFXBAOLKR-UHFFFAOYSA-N 1 0 204.273 2.073 10 10 BECERO [NH3+]Cc1ccc(N2CCSCC2)cc1Cl ZINC000061845684 181483639 /nfs/dbraw/zinc/48/36/39/181483639.db2.gz RVRZEXPFXXHOKO-UHFFFAOYSA-N 1 0 242.775 2.352 10 10 BECERO Oc1ccc(C[NH2+]Cc2ccccc2)c(O)c1 ZINC000019899477 183270251 /nfs/dbraw/zinc/27/02/51/183270251.db2.gz VTCBHKMBMRXKMO-UHFFFAOYSA-N 1 0 229.279 2.388 10 10 BECERO CCC[NH2+]Cc1ccc(N2CCCOCC2)cc1 ZINC000061920267 169266934 /nfs/dbraw/zinc/26/69/34/169266934.db2.gz WPKZEEMLTANIIL-UHFFFAOYSA-N 1 0 248.370 2.413 10 10 BECERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000037240127 169283376 /nfs/dbraw/zinc/28/33/76/169283376.db2.gz NLDOASBYSIYLIB-GFCCVEGCSA-N 1 0 234.343 2.274 10 10 BECERO C[C@H]1C[NH2+][C@@H](c2ccc(N(C)C)cc2)C1 ZINC000003705067 384023087 /nfs/dbraw/zinc/02/30/87/384023087.db2.gz DVITZOYXQOOEPO-ZWNOBZJWSA-N 1 0 204.317 2.423 10 10 BECERO C[NH+](C)C[C@@H]1CCCc2cc(O)c(O)cc21 ZINC000027888215 384231410 /nfs/dbraw/zinc/23/14/10/384231410.db2.gz QBRKSAWIGDQXSR-JTQLQIEISA-N 1 0 221.300 2.079 10 10 BECERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1O ZINC000134236785 384339880 /nfs/dbraw/zinc/33/98/80/384339880.db2.gz WLJRWYKTQJNOSY-HOSYDEDBSA-N 1 0 221.300 2.220 10 10 BECERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000051991380 384706762 /nfs/dbraw/zinc/70/67/62/384706762.db2.gz FTQQCDKBHHFZSZ-SUHUHFCYSA-N 1 0 235.327 2.346 10 10 BECERO Cc1ccc(O)c([C@@H]([NH3+])CC(F)F)c1 ZINC000575437455 387107437 /nfs/dbraw/zinc/10/74/37/387107437.db2.gz FYAMBUXZILMAJL-QMMMGPOBSA-N 1 0 201.216 2.356 10 10 BECERO COc1ccc(O)c([C@H]([NH3+])CC(F)F)c1 ZINC000575437389 387107611 /nfs/dbraw/zinc/10/76/11/387107611.db2.gz DOWDVACPPYSQQW-MRVPVSSYSA-N 1 0 217.215 2.056 10 10 BECERO Cc1cc(Cl)cc([C@H]([NH3+])CCC[NH3+])c1O ZINC000575439013 387121107 /nfs/dbraw/zinc/12/11/07/387121107.db2.gz OGMYMWGTFNHGQC-SNVBAGLBSA-N 1 0 228.723 2.093 10 10 BECERO [NH3+]CCC[C@H]([NH3+])c1c([O-])cc(Cl)cc1Cl ZINC000575439582 387123811 /nfs/dbraw/zinc/12/38/11/387123811.db2.gz SQSJHGODMTXYIS-QMMMGPOBSA-N 1 0 249.141 2.438 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000230316106 387261923 /nfs/dbraw/zinc/26/19/23/387261923.db2.gz PWFQNVAPYKHMRD-ZFWWWQNUSA-N 1 0 247.338 2.358 10 10 BECERO Cc1ccc(O)c([C@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091423406 388763360 /nfs/dbraw/zinc/76/33/60/388763360.db2.gz MXMXFKJMWHUHAU-UNXYVOJBSA-N 1 0 235.327 2.122 10 10 BECERO [NH3+]CCOc1ccc(N2CCCCC2)cc1 ZINC000019726703 132326268 /nfs/dbraw/zinc/32/62/68/132326268.db2.gz QVBSKOVOJCFVDV-UHFFFAOYSA-N 1 0 220.316 2.014 10 10 BECERO C[C@H]([NH3+])c1ccc(N2CCO[C@@H](C)C2)c(F)c1 ZINC000019872129 132328563 /nfs/dbraw/zinc/32/85/63/132328563.db2.gz JWGNZFARTRPQGP-UWVGGRQHSA-N 1 0 238.306 2.071 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCO[C@H](C)C2)c(F)c1 ZINC000035438963 132338338 /nfs/dbraw/zinc/33/83/38/132338338.db2.gz JWGNZFARTRPQGP-NXEZZACHSA-N 1 0 238.306 2.071 10 10 BECERO Cc1cc(C[NH3+])ccc1N1C[C@H](C)OC[C@@H]1C ZINC000037733224 132345378 /nfs/dbraw/zinc/34/53/78/132345378.db2.gz OUTSNDSMNLFJAR-RYUDHWBXSA-N 1 0 234.343 2.067 10 10 BECERO CC[C@H]1CN(c2ccc(C[NH2+]C)cc2C)CCO1 ZINC000050560366 132359162 /nfs/dbraw/zinc/35/91/62/132359162.db2.gz SLPKTOQXNRCZLK-AWEZNQCLSA-N 1 0 248.370 2.330 10 10 BECERO CC(C)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879652 167381835 /nfs/dbraw/zinc/38/18/35/167381835.db2.gz ZQFKCZWVHKMSIK-SECBINFHSA-N 1 0 237.299 2.255 10 10 BECERO CC1=CC[N@H+](CCOc2ccc(N)cc2)CC1 ZINC000075423288 168113239 /nfs/dbraw/zinc/11/32/39/168113239.db2.gz UMKFQMHVNFKHAI-UHFFFAOYSA-N 1 0 232.327 2.300 10 10 BECERO CCN1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000071406190 169972148 /nfs/dbraw/zinc/97/21/48/169972148.db2.gz CIDPFPRFLSUWHD-CQSZACIVSA-N 1 0 248.370 2.275 10 10 BECERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2CO)cc1C ZINC000050582993 170127555 /nfs/dbraw/zinc/12/75/55/170127555.db2.gz GKTXORRDSUNJSZ-OAHLLOKOSA-N 1 0 248.370 2.066 10 10 BECERO CC[NH2+][C@H]1c2ccc(N(C)C(C)C)cc2NC1=O ZINC000036193897 170149271 /nfs/dbraw/zinc/14/92/71/170149271.db2.gz BGWALAUIKLBPPL-ZDUSSCGKSA-N 1 0 247.342 2.134 10 10 BECERO C[N@@H+]1CC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000042545202 173154052 /nfs/dbraw/zinc/15/40/52/173154052.db2.gz UTKOAOOZBVKKAX-QMMMGPOBSA-N 1 0 225.723 2.038 10 10 BECERO C[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)COC)cc1 ZINC000042518518 173448733 /nfs/dbraw/zinc/44/87/33/173448733.db2.gz ZORFZHKVYPPZMQ-NWDGAFQWSA-N 1 0 236.359 2.438 10 10 BECERO COc1ccc(N(C)CC[NH2+]CC2CC2)cc1 ZINC000059762098 175136676 /nfs/dbraw/zinc/13/66/76/175136676.db2.gz NUNQQXKPFPIQSA-UHFFFAOYSA-N 1 0 234.343 2.131 10 10 BECERO COc1ccc(N(CC[NH3+])Cc2ccco2)cc1 ZINC000020238724 175137206 /nfs/dbraw/zinc/13/72/06/175137206.db2.gz UQINVHHOIKXLCM-UHFFFAOYSA-N 1 0 246.310 2.254 10 10 BECERO COc1ccc(N2CCC[NH2+][C@@H](C)CC2)cc1 ZINC000049662785 175139774 /nfs/dbraw/zinc/13/97/74/175139774.db2.gz JCNBBDVHGKGAKI-LBPRGKRZSA-N 1 0 234.343 2.274 10 10 BECERO C[C@@H](c1cc(Cl)ccc1O)N1CC[NH2+]CC1 ZINC000076817249 176013651 /nfs/dbraw/zinc/01/36/51/176013651.db2.gz KWZXFSIZHHIJSE-VIFPVBQESA-N 1 0 240.734 2.012 10 10 BECERO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000022155988 176069346 /nfs/dbraw/zinc/06/93/46/176069346.db2.gz XCFFFTXLLSMPLU-LLVKDONJSA-N 1 0 247.342 2.082 10 10 BECERO C[C@@H]1CCC[N@@H+]1CCc1ccc(N)cc1 ZINC000037909995 176109257 /nfs/dbraw/zinc/10/92/57/176109257.db2.gz IHMOPGZWSJSUFU-LLVKDONJSA-N 1 0 204.317 2.296 10 10 BECERO C[C@H]1CCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000037909940 177109299 /nfs/dbraw/zinc/10/92/99/177109299.db2.gz GHFUBXZWGADDDU-NSHDSACASA-N 1 0 220.316 2.132 10 10 BECERO C[C@H]1CCCN1c1c(F)cc(C[NH3+])cc1F ZINC000062711448 177111563 /nfs/dbraw/zinc/11/15/63/177111563.db2.gz HKMGTPOBEDWBAG-QMMMGPOBSA-N 1 0 226.270 2.412 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCCO[C@@H](C)C2)cc1 ZINC000061919093 177277342 /nfs/dbraw/zinc/27/73/42/177277342.db2.gz XVQKTGIQVHZTDF-NWDGAFQWSA-N 1 0 234.343 2.322 10 10 BECERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000052269287 177350300 /nfs/dbraw/zinc/35/03/00/177350300.db2.gz CXMYJFFBZIQBKD-GWCFXTLKSA-N 1 0 204.317 2.251 10 10 BECERO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091423404 325686516 /nfs/dbraw/zinc/68/65/16/325686516.db2.gz MXMXFKJMWHUHAU-VOMCLLRMSA-N 1 0 235.327 2.122 10 10 BECERO CCOC1CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000020267320 535399791 /nfs/dbraw/zinc/39/97/91/535399791.db2.gz GGPAHMDECUDXAQ-UHFFFAOYSA-N 1 0 234.343 2.151 10 10 BECERO CC[NH2+]Cc1ccc(N2CCC[C@@H](O)C2)c(C)c1 ZINC000050561421 535478262 /nfs/dbraw/zinc/47/82/62/535478262.db2.gz KPYNFPXVZFHNOM-CQSZACIVSA-N 1 0 248.370 2.066 10 10 BECERO COC1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000037266451 536757602 /nfs/dbraw/zinc/75/76/02/536757602.db2.gz AEYOLOGWJHTZEL-NSHDSACASA-N 1 0 234.343 2.322 10 10 BECERO Cc1cc(Cl)cc(C[NH2+]CC[C@@H](C)O)c1O ZINC000133209560 591779514 /nfs/dbraw/zinc/77/95/14/591779514.db2.gz VVRHBYVWELSDRX-SECBINFHSA-N 1 0 243.734 2.215 10 10 BECERO Cc1ccc(O)c(C[NH2+]Cc2ccccc2O)n1 ZINC000134333841 591919868 /nfs/dbraw/zinc/91/98/68/591919868.db2.gz LGQDFEMQELWUEA-UHFFFAOYSA-N 1 0 244.294 2.091 10 10 BECERO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000219125050 592211366 /nfs/dbraw/zinc/21/13/66/592211366.db2.gz LOQPYNDACURZIS-LLVKDONJSA-N 1 0 243.310 2.341 10 10 BECERO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000051990106 632038624 /nfs/dbraw/zinc/03/86/24/632038624.db2.gz SWKHRQGZECGKRC-CABCVRRESA-N 1 0 248.370 2.146 10 10 BECERO CCC[C@@H]([NH3+])c1cc(F)cc(F)c1[O-] ZINC000238232191 642800887 /nfs/dbraw/zinc/80/08/87/642800887.db2.gz RPVUAIORJVCMCL-SECBINFHSA-N 1 0 201.216 2.470 10 10 BECERO COCC1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000713981547 712475975 /nfs/dbraw/zinc/47/59/75/712475975.db2.gz TWOCZMPYNHAPAU-GDKBPFBDSA-N 1 0 247.338 2.394 10 10 BECERO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037164239 712549731 /nfs/dbraw/zinc/54/97/31/712549731.db2.gz ZVKUKCOJMNDXPU-ZFWWWQNUSA-N 1 0 248.370 2.146 10 10 BECERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037363589 712575167 /nfs/dbraw/zinc/57/51/67/712575167.db2.gz MAJJXLWISYVWRA-ZIAGYGMSSA-N 1 0 247.338 2.015 10 10 BECERO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)C)C2)cc1C ZINC000170843143 178195390 /nfs/dbraw/zinc/19/53/90/178195390.db2.gz PZQQESFCGBCVPY-CQSZACIVSA-N 1 0 248.370 2.145 10 10 BECERO CCC(CC)[N@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000036788476 168367289 /nfs/dbraw/zinc/36/72/89/168367289.db2.gz QKAUKLPUCNLFHU-UHFFFAOYSA-N 1 0 249.358 2.328 10 10 BECERO CO[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146525288 342770404 /nfs/dbraw/zinc/77/04/04/342770404.db2.gz GEGHEJOSZOWZLU-RISCZKNCSA-N 1 0 234.343 2.268 10 10 BECERO Cc1cccc(C[NH2+]Cc2ccc(O)cc2O)n1 ZINC000051574260 179094321 /nfs/dbraw/zinc/09/43/21/179094321.db2.gz BXJHJOWREKZPSY-UHFFFAOYSA-N 1 0 244.294 2.091 10 10 BECERO Cc1cc(C[NH3+])ccc1N(C)CC1CC1 ZINC000037924822 187419754 /nfs/dbraw/zinc/41/97/54/187419754.db2.gz VISDNSIRZIABLE-UHFFFAOYSA-N 1 0 204.317 2.300 10 10 BECERO [NH3+]Cc1ccc(N2CCC2)cc1Br ZINC000306710527 350859186 /nfs/dbraw/zinc/85/91/86/350859186.db2.gz TZSGJSHPEDVRMA-UHFFFAOYSA-N 1 0 241.132 2.118 10 10 BECERO [NH3+]CC[C@@H]([NH3+])c1c([O-])cc(Cl)cc1Cl ZINC000306773758 351014572 /nfs/dbraw/zinc/01/45/72/351014572.db2.gz JAOKPZYEIFRRCC-SSDOTTSWSA-N 1 0 235.114 2.048 10 10 BECERO Oc1ccc([C@@H]2C[NH2+]Cc3sccc32)cc1O ZINC000025758070 188464723 /nfs/dbraw/zinc/46/47/23/188464723.db2.gz QDKUSZZMIFQVPN-JTQLQIEISA-N 1 0 247.319 2.394 10 10 in-vivo BECERO OC1CC[NH+](C2=Cc3ccccc3C2)CC1 ZINC000584636962 358322305 /nfs/dbraw/zinc/32/23/05/358322305.db2.gz LXTVGOPGTLUMMZ-UHFFFAOYSA-N 1 0 215.296 2.040 10 10 BECERO [NH3+]C1(c2ccc(Br)cc2O)CCC1 ZINC000096877770 181333899 /nfs/dbraw/zinc/33/38/99/181333899.db2.gz NBCHNLYPYXSJLH-UHFFFAOYSA-N 1 0 242.116 2.493 10 10 BECERO [NH3+]C[C@H]1c2ccccc2Cc2c(O)c(O)ccc21 ZINC000026489842 181468832 /nfs/dbraw/zinc/46/88/32/181468832.db2.gz PKJBRKTYYNRVSN-ZDUSSCGKSA-N 1 0 241.290 2.093 10 10 BECERO Oc1ccc(C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC000083373588 183270635 /nfs/dbraw/zinc/27/06/35/183270635.db2.gz SIEAEVBCZYFTAX-UHFFFAOYSA-N 1 0 245.278 2.093 10 10 BECERO CCC[N@H+](Cc1ccc(N)cc1)[C@@H]1CCOC1 ZINC000112392497 169176411 /nfs/dbraw/zinc/17/64/11/169176411.db2.gz FPCUDCNAODTIQT-CQSZACIVSA-N 1 0 234.343 2.270 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000167734363 183303620 /nfs/dbraw/zinc/30/36/20/183303620.db2.gz PQGZKUYFADCTAB-TZMCWYRMSA-N 1 0 235.327 2.175 10 10 BECERO CCCN(c1ccc2c(c1)NC(=O)[C@H]2[NH3+])C1CC1 ZINC000036194626 169182445 /nfs/dbraw/zinc/18/24/45/169182445.db2.gz GIKHQCSWOMCZPZ-ZDUSSCGKSA-N 1 0 245.326 2.017 10 10 BECERO c1cc(C[NH2+]CC[C@H]2CCCO2)cc2c1OCC2 ZINC000038052050 183368031 /nfs/dbraw/zinc/36/80/31/183368031.db2.gz YWSXVGWIKGVXLA-CQSZACIVSA-N 1 0 247.338 2.280 10 10 BECERO CCC[NH2+]Cc1ccc(N2CC[C@H](O)C2)cc1C ZINC000061711171 169267329 /nfs/dbraw/zinc/26/73/29/169267329.db2.gz LVBFXBGNBSZUDD-HNNXBMFYSA-N 1 0 248.370 2.066 10 10 BECERO CCC[C@@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000036194930 169366463 /nfs/dbraw/zinc/36/64/63/169366463.db2.gz KYFSPRXFLOUGNA-NOZJJQNGSA-N 1 0 247.342 2.263 10 10 BECERO C[C@@H]1[NH2+]CCC[C@@]1(C)c1ccc(O)c(O)c1 ZINC000039098392 384102940 /nfs/dbraw/zinc/10/29/40/384102940.db2.gz UINJNTGRCFEESO-TVQRCGJNSA-N 1 0 221.300 2.127 10 10 BECERO C[C@@H]1[NH2+]CCC[C@]1(C)c1ccc(O)c(O)c1 ZINC000039098390 384103944 /nfs/dbraw/zinc/10/39/44/384103944.db2.gz UINJNTGRCFEESO-ZANVPECISA-N 1 0 221.300 2.127 10 10 BECERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(O)c1 ZINC000367687155 384932204 /nfs/dbraw/zinc/93/22/04/384932204.db2.gz KFIXOSTUCLLETP-DOERSZECSA-N 1 0 247.338 2.244 10 10 BECERO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1 ZINC000217747021 385890891 /nfs/dbraw/zinc/89/08/91/385890891.db2.gz UZMDIQFLHZXZGU-OCCSQVGLSA-N 1 0 248.370 2.083 10 10 BECERO Cc1cccc([C@H]([NH3+])CC(F)F)c1O ZINC000575436990 387104746 /nfs/dbraw/zinc/10/47/46/387104746.db2.gz KZCDRLDRUAYQQS-MRVPVSSYSA-N 1 0 201.216 2.356 10 10 BECERO [NH3+]CCCC[C@@H]([NH3+])c1cccc(Cl)c1[O-] ZINC000575439433 387123914 /nfs/dbraw/zinc/12/39/14/387123914.db2.gz KWSHCVFROUPUAL-SNVBAGLBSA-N 1 0 228.723 2.174 10 10 BECERO CCOc1cccc([C@H]([NH3+])CCF)c1O ZINC000575438418 387129487 /nfs/dbraw/zinc/12/94/87/387129487.db2.gz KMDYTHCDYFDOSM-SECBINFHSA-N 1 0 213.252 2.150 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCSCC2)c(F)c1 ZINC000020257411 132330395 /nfs/dbraw/zinc/33/03/95/132330395.db2.gz MKPPCXOMGPQRNR-SECBINFHSA-N 1 0 240.347 2.399 10 10 BECERO CC(C)[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000034823449 132337002 /nfs/dbraw/zinc/33/70/02/132337002.db2.gz ZTBZQGJCBVPSAT-ZDUSSCGKSA-N 1 0 248.370 2.410 10 10 BECERO CCO[C@@H]1CCCN(c2ccc(C[NH2+]C)cc2)C1 ZINC000042424206 132351767 /nfs/dbraw/zinc/35/17/67/132351767.db2.gz XQVTYOVGNPDQRY-OAHLLOKOSA-N 1 0 248.370 2.411 10 10 BECERO CC[C@@H]1CN(c2ccc(C[NH2+]C)cc2C)CCO1 ZINC000050560364 132359074 /nfs/dbraw/zinc/35/90/74/132359074.db2.gz SLPKTOQXNRCZLK-CQSZACIVSA-N 1 0 248.370 2.330 10 10 BECERO CCOc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071544803 132393615 /nfs/dbraw/zinc/39/36/15/132393615.db2.gz GKZNZIXVQPKOGK-RYUDHWBXSA-N 1 0 234.343 2.272 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000250089263 135049400 /nfs/dbraw/zinc/04/94/00/135049400.db2.gz QBCJSHQOGSTHAW-SCRDCRAPSA-N 1 0 233.311 2.049 10 10 BECERO CC[N@H+](CCc1ccc(N)cc1)[C@H](C)COC ZINC000042738103 169873798 /nfs/dbraw/zinc/87/37/98/169873798.db2.gz HSJXEJAARQLPBV-GFCCVEGCSA-N 1 0 236.359 2.168 10 10 BECERO CC[N@@H+]1CCc2cc(O)c(O)cc2C1(C)C ZINC000014722976 170024199 /nfs/dbraw/zinc/02/41/99/170024199.db2.gz PEZHTRGMGFXRCH-UHFFFAOYSA-N 1 0 221.300 2.211 10 10 biogenic,in-vitro BECERO CC[NH2+][C@H]1c2ccc(N(CC)CC)cc2NC1=O ZINC000036193560 170149697 /nfs/dbraw/zinc/14/96/97/170149697.db2.gz AYRKXFZPEBZOJY-ZDUSSCGKSA-N 1 0 247.342 2.136 10 10 BECERO CC[NH2+][C@@H]1CCN(c2ccc(OC)c(C)c2)C1 ZINC000049530921 170152437 /nfs/dbraw/zinc/15/24/37/170152437.db2.gz STCVFBDHPSOCSS-GFCCVEGCSA-N 1 0 234.343 2.192 10 10 BECERO CC[NH2+][C@H](C)c1ccc(N(CC)CCO)cc1 ZINC000037900280 170159424 /nfs/dbraw/zinc/15/94/24/170159424.db2.gz HHDCVCCOYDJEJK-GFCCVEGCSA-N 1 0 236.359 2.176 10 10 BECERO CCOc1ccc(N(C)C[C@H](C)C[NH3+])cc1 ZINC000049819005 170549303 /nfs/dbraw/zinc/54/93/03/170549303.db2.gz JXXVFDBUZXPLBK-LLVKDONJSA-N 1 0 222.332 2.116 10 10 BECERO CCn1ccnc1[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000011735309 172229366 /nfs/dbraw/zinc/22/93/66/172229366.db2.gz LHUFNCJVPZIMMC-ZDUSSCGKSA-N 1 0 244.342 2.017 10 10 BECERO C[N@H+](Cc1cc(N)ccc1O)C1CCCC1 ZINC000037273262 172841980 /nfs/dbraw/zinc/84/19/80/172841980.db2.gz OYWDWIZCKPLXGY-UHFFFAOYSA-N 1 0 220.316 2.349 10 10 BECERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000071408939 174750346 /nfs/dbraw/zinc/75/03/46/174750346.db2.gz URGYMLUUVCMOCN-GXTWGEPZSA-N 1 0 235.327 2.358 10 10 BECERO COc1ccc([C@H](C)[NH2+]C2CC2)c(O)c1 ZINC000020083139 175188303 /nfs/dbraw/zinc/18/83/03/175188303.db2.gz CCBCJKPMBMHZQF-QMMMGPOBSA-N 1 0 207.273 2.214 10 10 BECERO COc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)c1O ZINC000003705245 175290657 /nfs/dbraw/zinc/29/06/57/175290657.db2.gz HXAWLLXWDLNMJH-SCZZXKLOSA-N 1 0 207.273 2.071 10 10 BECERO COc1cccc([C@@H]2C[C@H](C)C[NH2+]2)c1O ZINC000003705244 175291126 /nfs/dbraw/zinc/29/11/26/175291126.db2.gz HXAWLLXWDLNMJH-WPRPVWTQSA-N 1 0 207.273 2.071 10 10 BECERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000052274862 176445976 /nfs/dbraw/zinc/44/59/76/176445976.db2.gz CNVCEUDHYZFQEI-BXKDBHETSA-N 1 0 203.285 2.120 10 10 BECERO C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000037909752 177109004 /nfs/dbraw/zinc/10/90/04/177109004.db2.gz MHLKREPMEZCVTI-NSHDSACASA-N 1 0 247.342 2.082 10 10 BECERO C[C@H]1CCC[N@@H+]1CCc1ccc(N)cc1 ZINC000037909996 177109054 /nfs/dbraw/zinc/10/90/54/177109054.db2.gz IHMOPGZWSJSUFU-NSHDSACASA-N 1 0 204.317 2.296 10 10 BECERO C[C@H]1C[NH+](CCCc2ccc(N)cc2)C[C@H](C)O1 ZINC000058267404 177249136 /nfs/dbraw/zinc/24/91/36/177249136.db2.gz WZHUIGKWESKDTF-STQMWFEESA-N 1 0 248.370 2.311 10 10 BECERO CC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000034823292 535477987 /nfs/dbraw/zinc/47/79/87/535477987.db2.gz RPMUBCNIYYYSCB-BETUJISGSA-N 1 0 248.370 2.410 10 10 BECERO C[NH2+][C@H](C)c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035776750 536406821 /nfs/dbraw/zinc/40/68/21/536406821.db2.gz KSSHDGDGUOWJAM-NWDGAFQWSA-N 1 0 234.343 2.192 10 10 BECERO CC[NH2+]Cc1ccc(N2CCO[C@H](C)C2)cc1C ZINC000050581173 535478191 /nfs/dbraw/zinc/47/81/91/535478191.db2.gz XVWUUIYSPIHCRX-CYBMUJFWSA-N 1 0 248.370 2.330 10 10 BECERO CCOc1ccc(N2CCC([NH3+])CC2)cc1 ZINC000019440602 535734788 /nfs/dbraw/zinc/73/47/88/535734788.db2.gz GVXTWIJIBRHRCD-UHFFFAOYSA-N 1 0 220.316 2.013 10 10 BECERO COc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000049713973 536706457 /nfs/dbraw/zinc/70/64/57/536706457.db2.gz NAGWGPKZEKXGMK-DGCLKSJQSA-N 1 0 234.343 2.177 10 10 BECERO COc1ccc(N2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000049710988 536706994 /nfs/dbraw/zinc/70/69/94/536706994.db2.gz UBJZIBSCKWYFHQ-NXEZZACHSA-N 1 0 238.306 2.150 10 10 BECERO COC1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000037266452 536758260 /nfs/dbraw/zinc/75/82/60/536758260.db2.gz AEYOLOGWJHTZEL-LLVKDONJSA-N 1 0 234.343 2.322 10 10 BECERO Oc1cccc2c1[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)CC2 ZINC000310855840 636667586 /nfs/dbraw/zinc/66/75/86/636667586.db2.gz MYMPAKUHXAHEFV-YNEHKIRRSA-N 1 0 247.338 2.273 10 10 BECERO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCCO1 ZINC000062801593 641091646 /nfs/dbraw/zinc/09/16/46/641091646.db2.gz LUWCLAWSZRXYFQ-AWEZNQCLSA-N 1 0 246.354 2.077 10 10 BECERO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCCO1 ZINC000062801594 641091871 /nfs/dbraw/zinc/09/18/71/641091871.db2.gz LUWCLAWSZRXYFQ-CQSZACIVSA-N 1 0 246.354 2.077 10 10 BECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c(O)c1 ZINC000040672512 641535366 /nfs/dbraw/zinc/53/53/66/641535366.db2.gz SDRWDOPHLDAIFU-STQMWFEESA-N 1 0 248.370 2.445 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000071407970 643141766 /nfs/dbraw/zinc/14/17/66/643141766.db2.gz RXHMPAUKDQZVRW-STQMWFEESA-N 1 0 235.327 2.094 10 10 BECERO Cc1ccc(O)c(CN2CCCC[C@H]2C[NH3+])c1 ZINC000071409472 643143514 /nfs/dbraw/zinc/14/35/14/643143514.db2.gz FUDXUVUURRVYFV-ZDUSSCGKSA-N 1 0 234.343 2.014 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000071407972 643143622 /nfs/dbraw/zinc/14/36/22/643143622.db2.gz RXHMPAUKDQZVRW-QWHCGFSZSA-N 1 0 235.327 2.094 10 10 BECERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037363591 712575121 /nfs/dbraw/zinc/57/51/21/712575121.db2.gz MAJJXLWISYVWRA-UONOGXRCSA-N 1 0 247.338 2.015 10 10 BECERO Oc1ccccc1C[NH2+]CC[C@H]1CCCO1 ZINC000038095365 712807866 /nfs/dbraw/zinc/80/78/66/712807866.db2.gz BZVLZLZHYNYWBC-GFCCVEGCSA-N 1 0 221.300 2.051 10 10 BECERO [NH3+]C[C@H]1c2ccccc2-c2c1ccc(O)c2O ZINC000006116933 398281066 /nfs/dbraw/zinc/28/10/66/398281066.db2.gz YLOTUMWDVNOPBU-NSHDSACASA-N 1 0 227.263 2.169 10 10 in-vivo BECERO Nc1ccc(N2CCCSCC2)cc1 ZINC000042443700 362000644 /nfs/dbraw/zinc/00/06/44/362000644.db2.gz GQDUSJZPJOUUCU-UHFFFAOYSA-N 1 0 208.330 2.212 10 10 BECERO Cc1ccc(N)c(O)c1[C@H]1CCCC[NH2+]1 ZINC000308774145 342870692 /nfs/dbraw/zinc/87/06/92/342870692.db2.gz FXZLEUHNSGQDLR-SNVBAGLBSA-N 1 0 206.289 2.097 10 10 BECERO [NH3+][C@@H](CF)c1ccc(Br)cc1O ZINC000238573527 345080555 /nfs/dbraw/zinc/08/05/55/345080555.db2.gz KNIXWUQOLVUPFB-ZETCQYMHSA-N 1 0 234.068 2.124 10 10 BECERO Cc1cccc(C[NH2+]Cc2ccccn2)c1O ZINC000083356163 179095962 /nfs/dbraw/zinc/09/59/62/179095962.db2.gz IBGZTYIIOYRZDW-UHFFFAOYSA-N 1 0 228.295 2.385 10 10 BECERO C[NH2+]Cc1ccc(N(C)[C@H]2CCSC2)cc1 ZINC000037175464 188113655 /nfs/dbraw/zinc/11/36/55/188113655.db2.gz ACYWDJPBUJLWPN-ZDUSSCGKSA-N 1 0 236.384 2.348 10 10 BECERO CCOC1CCN(c2ccc(C[NH3+])cc2C)CC1 ZINC000040678289 535399256 /nfs/dbraw/zinc/39/92/56/535399256.db2.gz RYVRMDMNGBSAIT-UHFFFAOYSA-N 1 0 248.370 2.459 10 10 BECERO [NH3+][C@H]1CCn2c(ccc2-c2ccccc2)C1 ZINC000038339330 358147260 /nfs/dbraw/zinc/14/72/60/358147260.db2.gz LHEPQBFDHBVZQW-LBPRGKRZSA-N 1 0 212.296 2.429 10 10 BECERO [NH3+]C1(c2cc(Br)ccc2O)CCC1 ZINC000096877778 181333919 /nfs/dbraw/zinc/33/39/19/181333919.db2.gz ZFWMTHWLEYTJPV-UHFFFAOYSA-N 1 0 242.116 2.493 10 10 BECERO [NH3+]Cc1ncccc1Sc1nccs1 ZINC000131016988 370734025 /nfs/dbraw/zinc/73/40/25/370734025.db2.gz WHDMIVWEGZUFMC-UHFFFAOYSA-N 1 0 223.326 2.148 10 10 BECERO Nc1ccc(CC[NH2+]CCc2ccco2)cc1 ZINC000042594374 181704657 /nfs/dbraw/zinc/70/46/57/181704657.db2.gz ADZLOBXRPCECRP-UHFFFAOYSA-N 1 0 230.311 2.237 10 10 BECERO CCCN(C)c1ccc(C[NH2+]CCOC)cc1 ZINC000062735323 169088030 /nfs/dbraw/zinc/08/80/30/169088030.db2.gz SQQWEZNCXSNFHH-UHFFFAOYSA-N 1 0 236.359 2.269 10 10 BECERO Oc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000083356649 183270974 /nfs/dbraw/zinc/27/09/74/183270974.db2.gz GJQRAVSQEAIOIT-UHFFFAOYSA-N 1 0 229.279 2.388 10 10 BECERO CCCN(CCOCC)c1ccc(C[NH3+])cc1 ZINC000035358897 169168664 /nfs/dbraw/zinc/16/86/64/169168664.db2.gz UIGJSSQUCXZXFK-UHFFFAOYSA-N 1 0 236.359 2.398 10 10 BECERO CCC[NH2+][C@@H](C)Cc1ccc(O)c(O)c1 ZINC000005834952 169274307 /nfs/dbraw/zinc/27/43/07/169274307.db2.gz GBUQHQGQYVKEHW-VIFPVBQESA-N 1 0 209.289 2.028 10 10 BECERO [NH3+]C[C@@H]1c2ccccc2Cc2c(O)c(O)ccc21 ZINC000100117630 384618418 /nfs/dbraw/zinc/61/84/18/384618418.db2.gz PKJBRKTYYNRVSN-CYBMUJFWSA-N 1 0 241.290 2.093 10 10 BECERO Cc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000228174774 387080621 /nfs/dbraw/zinc/08/06/21/387080621.db2.gz POIFVGYWXHJZBJ-KGLIPLIRSA-N 1 0 247.338 2.454 10 10 BECERO Cc1cc(F)cc([C@@H]([NH3+])CCF)c1O ZINC000575438848 387119223 /nfs/dbraw/zinc/11/92/23/387119223.db2.gz NGAVBSRXXWNGBR-VIFPVBQESA-N 1 0 201.216 2.199 10 10 BECERO [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000575438765 387119997 /nfs/dbraw/zinc/11/99/97/387119997.db2.gz ITNSTIJAXFUDAR-SECBINFHSA-N 1 0 249.141 2.438 10 10 BECERO Cc1cc(Cl)cc([C@@H]([NH3+])CCC[NH3+])c1O ZINC000575439014 387121217 /nfs/dbraw/zinc/12/12/17/387121217.db2.gz OGMYMWGTFNHGQC-JTQLQIEISA-N 1 0 228.723 2.093 10 10 BECERO Cc1ccc(Br)c([C@H]([NH3+])CF)c1O ZINC000238532299 387875130 /nfs/dbraw/zinc/87/51/30/387875130.db2.gz MAZFIUIAORBNSM-SSDOTTSWSA-N 1 0 248.095 2.432 10 10 BECERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296946174 388426958 /nfs/dbraw/zinc/42/69/58/388426958.db2.gz QPRQCCBWWICCPC-MVWJERBFSA-N 1 0 233.311 2.147 10 10 BECERO CC[NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1 ZINC000034666817 132336744 /nfs/dbraw/zinc/33/67/44/132336744.db2.gz OIQJDRGSVVVVEL-LBPRGKRZSA-N 1 0 248.370 2.318 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)OC[C@H]2C)cc1 ZINC000035786993 132339599 /nfs/dbraw/zinc/33/95/99/132339599.db2.gz KRGZAUYJNACMQQ-GRYCIOLGSA-N 1 0 234.343 2.320 10 10 BECERO CC[C@@H]1CN(c2ccc(C[NH3+])cc2C)CCO1 ZINC000037733226 132345374 /nfs/dbraw/zinc/34/53/74/132345374.db2.gz CRLSYZYCWVHBBL-CYBMUJFWSA-N 1 0 234.343 2.069 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC)cc2)[C@@H](C)C1 ZINC000049693935 132356554 /nfs/dbraw/zinc/35/65/54/132356554.db2.gz XRTSPUFUFMXTKW-RYUDHWBXSA-N 1 0 234.343 2.272 10 10 BECERO Cc1cc(N2C[C@H](C)OC(C)(C)C2)ccc1C[NH3+] ZINC000050584784 132359354 /nfs/dbraw/zinc/35/93/54/132359354.db2.gz ABCBFPROANQCFD-LBPRGKRZSA-N 1 0 248.370 2.457 10 10 BECERO [NH3+]Cc1ccc(N2CCSCC2)c(Cl)c1 ZINC000062792885 132388731 /nfs/dbraw/zinc/38/87/31/132388731.db2.gz OBGCRDORNIWPOQ-UHFFFAOYSA-N 1 0 242.775 2.352 10 10 BECERO C[NH2+][C@H]1CCN(c2ccc(OC)cc2C)C[C@H]1C ZINC000061567990 132502349 /nfs/dbraw/zinc/50/23/49/132502349.db2.gz IMJZLOAGFUQQAG-OCCSQVGLSA-N 1 0 248.370 2.438 10 10 BECERO CC[NH+](CC)CCN(C)Cc1ccc(N)cc1 ZINC000035360404 169776419 /nfs/dbraw/zinc/77/64/19/169776419.db2.gz HQEDNVPRNCEPJA-UHFFFAOYSA-N 1 0 235.375 2.042 10 10 BECERO CC(C)Oc1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000041264354 167295687 /nfs/dbraw/zinc/29/56/87/167295687.db2.gz YZEHNQCMQUOKDU-LBPRGKRZSA-N 1 0 234.343 2.272 10 10 BECERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccccc1O ZINC000049195476 167395021 /nfs/dbraw/zinc/39/50/21/167395021.db2.gz GDDCEMVBPCHARH-CYBMUJFWSA-N 1 0 236.359 2.068 10 10 BECERO CC[NH2+]Cc1ccc(N(C)[C@H](C)COC)cc1 ZINC000042519044 170126360 /nfs/dbraw/zinc/12/63/60/170126360.db2.gz UPQGGAMXEJAKFO-GFCCVEGCSA-N 1 0 236.359 2.267 10 10 BECERO CC[NH2+]Cc1ccc(N(CC)CCOC)cc1 ZINC000042493990 170127519 /nfs/dbraw/zinc/12/75/19/170127519.db2.gz RYMXYIIWKASIGA-UHFFFAOYSA-N 1 0 236.359 2.269 10 10 BECERO CC[NH2+][C@H]1CCN(c2ccc(OC)c(F)c2)C1 ZINC000037290773 170168069 /nfs/dbraw/zinc/16/80/69/170168069.db2.gz AKNNMYVVPGKJQL-JTQLQIEISA-N 1 0 238.306 2.023 10 10 BECERO CC[C@@H]1CCN(c2ccc(OC)cc2)CC[NH2+]1 ZINC000049660715 171014442 /nfs/dbraw/zinc/01/44/42/171014442.db2.gz OKTLYGCCAWSVQD-GFCCVEGCSA-N 1 0 234.343 2.274 10 10 BECERO CN(C)c1ccc(C[NH2+]C2CCC2)cc1 ZINC000044480410 172551513 /nfs/dbraw/zinc/55/15/13/172551513.db2.gz NBTWWQIHXGZVIS-UHFFFAOYSA-N 1 0 204.317 2.395 10 10 BECERO C[N@@H+]1CCC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000040715835 173021300 /nfs/dbraw/zinc/02/13/00/173021300.db2.gz LBRVHTUQPJRASG-SECBINFHSA-N 1 0 239.750 2.428 10 10 BECERO C[NH2+][C@@H]1CCN(c2ccc(OC(F)F)cc2)C1 ZINC000037242368 173437479 /nfs/dbraw/zinc/43/74/79/173437479.db2.gz TZAOOSBIEOEQTO-SECBINFHSA-N 1 0 242.269 2.086 10 10 BECERO COCCCN(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000062032053 174220284 /nfs/dbraw/zinc/22/02/84/174220284.db2.gz LAHZKGOKGUAITA-JTQLQIEISA-N 1 0 240.322 2.318 10 10 BECERO C[C@H]([NH2+]Cc1cccnc1)c1ccc(O)cc1O ZINC000020140871 176878035 /nfs/dbraw/zinc/87/80/35/176878035.db2.gz SYTRRJGOXFJVNW-JTQLQIEISA-N 1 0 244.294 2.344 10 10 BECERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(N)ccc2O)C1 ZINC000037272592 177314597 /nfs/dbraw/zinc/31/45/97/177314597.db2.gz PWTLQNHNEFZUCA-PHIMTYICSA-N 1 0 234.343 2.452 10 10 BECERO CC[NH2+]Cc1ccc(N2CCOC[C@H]2C)cc1 ZINC000035777813 535478486 /nfs/dbraw/zinc/47/84/86/535478486.db2.gz CPLAQRIHOVMIMF-GFCCVEGCSA-N 1 0 234.343 2.021 10 10 BECERO COC[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551148 491126471 /nfs/dbraw/zinc/12/64/71/491126471.db2.gz OUPNIQPMDLKMRG-MRVPVSSYSA-N 1 0 229.707 2.170 10 10 BECERO COc1ccc(N2CCC[C@H]([NH3+])C2)cc1Cl ZINC000033426966 536674355 /nfs/dbraw/zinc/67/43/55/536674355.db2.gz WQUSFWURILASRL-VIFPVBQESA-N 1 0 240.734 2.276 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000049693930 536706343 /nfs/dbraw/zinc/70/63/43/536706343.db2.gz RRDUSDDSJHQFEA-MNOVXSKESA-N 1 0 220.316 2.011 10 10 BECERO Cc1cccc(C[NH2+]Cc2ccccc2O)n1 ZINC000051573747 631811086 /nfs/dbraw/zinc/81/10/86/631811086.db2.gz MSMVHNYCPPSQEP-UHFFFAOYSA-N 1 0 228.295 2.385 10 10 BECERO COC1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000310350805 632726832 /nfs/dbraw/zinc/72/68/32/632726832.db2.gz QOEQEKBUFLOVHL-HTAVTVPLSA-N 1 0 233.311 2.147 10 10 BECERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000051991381 632772878 /nfs/dbraw/zinc/77/28/78/632772878.db2.gz FTQQCDKBHHFZSZ-QKCSRTOESA-N 1 0 235.327 2.346 10 10 BECERO COc1cc(Cl)cc([C@@H]([NH3+])C2CC2)c1O ZINC000757132756 643258272 /nfs/dbraw/zinc/25/82/72/643258272.db2.gz JYLDQFRLEIWACV-JTQLQIEISA-N 1 0 227.691 2.464 10 10 BECERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000049948921 643565476 /nfs/dbraw/zinc/56/54/76/643565476.db2.gz JXTFHXWDPSWNHN-GJZGRUSLSA-N 1 0 248.370 2.410 10 10 BECERO COCC1CC([NH2+][C@H](C)c2ccccc2O)C1 ZINC000713936564 712381630 /nfs/dbraw/zinc/38/16/30/712381630.db2.gz ZUVQNUZFRTYXPW-VOMCLLRMSA-N 1 0 235.327 2.468 10 10 BECERO COCC1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000713953753 712474547 /nfs/dbraw/zinc/47/45/47/712474547.db2.gz SEQYMOJDWBPNMR-UHFFFAOYSA-N 1 0 239.290 2.046 10 10 BECERO COCC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000713978323 712476241 /nfs/dbraw/zinc/47/62/41/712476241.db2.gz KHIBGVXFSGLKJG-UHFFFAOYSA-N 1 0 247.338 2.136 10 10 BECERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1C ZINC000037321339 712568579 /nfs/dbraw/zinc/56/85/79/712568579.db2.gz PFPRFRSMUJDYHT-UONOGXRCSA-N 1 0 249.354 2.397 10 10 BECERO Oc1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000038095364 712807883 /nfs/dbraw/zinc/80/78/83/712807883.db2.gz BZVLZLZHYNYWBC-LBPRGKRZSA-N 1 0 221.300 2.051 10 10 BECERO Cc1cc(N(C)[C@H]2CCSC2)ccc1C[NH3+] ZINC000050582008 178101518 /nfs/dbraw/zinc/10/15/18/178101518.db2.gz IVABLUZEDCZLSP-ZDUSSCGKSA-N 1 0 236.384 2.395 10 10 BECERO COc1ccc(N2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000041284369 536705472 /nfs/dbraw/zinc/70/54/72/536705472.db2.gz DJBQQTFEBRZIGV-VIFPVBQESA-N 1 0 240.734 2.147 10 10 BECERO [NH2+]=C1C=CC=C2C1=NC1(CCCCC1)N2O ZINC000005685759 346903087 /nfs/dbraw/zinc/90/30/87/346903087.db2.gz JMASVDSCQHVISD-UHFFFAOYSA-N 1 0 217.272 2.266 10 10 BECERO CC[NH+](CC)C[C@H]1CCc2c1ccc(O)c2O ZINC000029209068 344496479 /nfs/dbraw/zinc/49/64/79/344496479.db2.gz GZWKMVRLWNTOER-SNVBAGLBSA-N 1 0 235.327 2.469 10 10 BECERO Nc1ccc(/N=N/c2cccnc2)c(N)n1 ZINC000096662621 346165404 /nfs/dbraw/zinc/16/54/04/346165404.db2.gz OXEIXRNCCWLEFR-FOCLMDBBSA-N 1 0 214.232 2.056 10 10 BECERO Cc1cnn(CC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000179895472 179740051 /nfs/dbraw/zinc/74/00/51/179740051.db2.gz QWSOGQOETCZKJJ-LBPRGKRZSA-N 1 0 245.326 2.248 10 10 BECERO Nc1cc[nH+]cc1Sc1nccs1 ZINC000307436209 352596136 /nfs/dbraw/zinc/59/61/36/352596136.db2.gz SOWOJXLUJGQUTR-UHFFFAOYSA-N 1 0 209.299 2.272 10 10 BECERO CN(c1ccc(C[NH3+])cc1)[C@@H]1CCSC1 ZINC000037175487 187760885 /nfs/dbraw/zinc/76/08/85/187760885.db2.gz BILQIRZKPCIGEQ-GFCCVEGCSA-N 1 0 222.357 2.087 10 10 BECERO Cc1cc(N(C)C[C@H]2CCCOC2)ccc1C[NH3+] ZINC000104193788 188505683 /nfs/dbraw/zinc/50/56/83/188505683.db2.gz ZYHLUFXZXRCDIS-CYBMUJFWSA-N 1 0 248.370 2.317 10 10 BECERO C[N@@H+]1CCC[C@H]1CCNc1ccc(N)cc1 ZINC000219098176 355319620 /nfs/dbraw/zinc/31/96/20/355319620.db2.gz QILIVLSPLORNIQ-ZDUSSCGKSA-N 1 0 219.332 2.165 10 10 BECERO CC[NH+](CC)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000032497023 355410553 /nfs/dbraw/zinc/41/05/53/355410553.db2.gz HHFZCYTXYQCNGD-AWEZNQCLSA-N 1 0 235.375 2.094 10 10 BECERO [NH3+]C[C@@H]1CCC[C@H]1Sc1nccs1 ZINC000040677147 181433181 /nfs/dbraw/zinc/43/31/81/181433181.db2.gz OPVBRCRXGXOUEF-JGVFFNPUSA-N 1 0 214.359 2.363 10 10 BECERO CC[C@@H](c1ccccc1O)[NH+]1CCOCC1 ZINC000132446992 371824989 /nfs/dbraw/zinc/82/49/89/371824989.db2.gz XRCFXVMQCMIQOO-LBPRGKRZSA-N 1 0 221.300 2.176 10 10 BECERO CCCN(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH2+]CC ZINC000102453865 169088305 /nfs/dbraw/zinc/08/83/05/169088305.db2.gz UXKZUFBZRDLLBK-CYBMUJFWSA-N 1 0 247.342 2.136 10 10 BECERO CCC[N@H+](CC)CCc1ccc(O)c(O)c1 ZINC000039098595 169122137 /nfs/dbraw/zinc/12/21/37/169122137.db2.gz XJJBARIDHLONCR-UHFFFAOYSA-N 1 0 223.316 2.372 10 10 BECERO Oc1ccc(C[NH2+]CC2CCCC2)cc1O ZINC000037252243 183270183 /nfs/dbraw/zinc/27/01/83/183270183.db2.gz NIWZCZLCLZRDHZ-UHFFFAOYSA-N 1 0 221.300 2.378 10 10 BECERO Oc1ccc(C[NH2+]Cc2ccccc2)c(O)c1O ZINC000083373625 183270737 /nfs/dbraw/zinc/27/07/37/183270737.db2.gz MFLQAOSHURXZML-UHFFFAOYSA-N 1 0 245.278 2.093 10 10 BECERO Oc1ccc([C@H]2C[NH2+]Cc3sccc32)cc1O ZINC000025758074 183278766 /nfs/dbraw/zinc/27/87/66/183278766.db2.gz QDKUSZZMIFQVPN-SNVBAGLBSA-N 1 0 247.319 2.394 10 10 in-vivo BECERO Oc1cccc(C[NH+]2CCCCC2)c1O ZINC000039096586 183289693 /nfs/dbraw/zinc/28/96/93/183289693.db2.gz RVHAGVNRPCFSGH-UHFFFAOYSA-N 1 0 207.273 2.084 10 10 BECERO [NH3+][C@H]1Cc2cc(O)c(O)cc2-c2ccccc21 ZINC000169322327 384670575 /nfs/dbraw/zinc/67/05/75/384670575.db2.gz VLDQYOSVSLSGCV-LBPRGKRZSA-N 1 0 227.263 2.321 10 10 BECERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(O)c1 ZINC000367687157 384932369 /nfs/dbraw/zinc/93/23/69/384932369.db2.gz KFIXOSTUCLLETP-ZRJCITRHSA-N 1 0 247.338 2.244 10 10 BECERO C[NH+](C)Cc1ccc(Br)cc1O ZINC000258206855 385550099 /nfs/dbraw/zinc/55/00/99/385550099.db2.gz VUCWJBMLYNSYHD-UHFFFAOYSA-N 1 0 230.105 2.216 10 10 BECERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1O ZINC000249723878 387147865 /nfs/dbraw/zinc/14/78/65/387147865.db2.gz FTQQCDKBHHFZSZ-VHRBIJSZSA-N 1 0 235.327 2.346 10 10 BECERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296946188 388426193 /nfs/dbraw/zinc/42/61/93/388426193.db2.gz QPRQCCBWWICCPC-ZMLRMANQSA-N 1 0 233.311 2.147 10 10 BECERO CCC[NH2+]Cc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035777804 132339431 /nfs/dbraw/zinc/33/94/31/132339431.db2.gz SCPRWSYNWUDWBZ-ZDUSSCGKSA-N 1 0 248.370 2.411 10 10 BECERO CC[C@@H]1CN(c2ccc(C[NH2+]C)cc2)CCO1 ZINC000036770473 132342762 /nfs/dbraw/zinc/34/27/62/132342762.db2.gz MYJIFJRKFVHSNX-CQSZACIVSA-N 1 0 234.343 2.021 10 10 BECERO CCO[C@@H]1CCCN(c2ccc(C[NH3+])cc2C)C1 ZINC000042408137 132351518 /nfs/dbraw/zinc/35/15/18/132351518.db2.gz DBUUEDWSKWRBMP-CQSZACIVSA-N 1 0 248.370 2.459 10 10 BECERO Cc1cc(N2C[C@H](C)OC[C@@H]2C)ccc1C[NH3+] ZINC000050582181 132359318 /nfs/dbraw/zinc/35/93/18/132359318.db2.gz IORCNFUVMLQCFV-RYUDHWBXSA-N 1 0 234.343 2.067 10 10 BECERO CC[C@H]1CN(c2ccc(C[NH2+]C)c(C)c2)CCO1 ZINC000050582213 132359335 /nfs/dbraw/zinc/35/93/35/132359335.db2.gz OLFZFRGJKSDXQZ-HNNXBMFYSA-N 1 0 248.370 2.330 10 10 BECERO C[C@H]1CCCCN1c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000057579812 132365777 /nfs/dbraw/zinc/36/57/77/132365777.db2.gz PIKGCJHOAHRMBZ-TVQRCGJNSA-N 1 0 245.326 2.017 10 10 BECERO C[C@H]1CN(c2ccc(C[NH3+])cc2Cl)CCO1 ZINC000062792804 132388636 /nfs/dbraw/zinc/38/86/36/132388636.db2.gz LMVZGGKZOZDYAR-VIFPVBQESA-N 1 0 240.734 2.024 10 10 BECERO CC(C)[NH2+][C@@H](C)Cc1ccc(O)c(O)c1 ZINC000001671500 167132185 /nfs/dbraw/zinc/13/21/85/167132185.db2.gz XHZUCIJXFFYRHC-VIFPVBQESA-N 1 0 209.289 2.027 10 10 BECERO CC(C)Oc1ccc(N(C)CCC[NH3+])cc1F ZINC000107291611 167296127 /nfs/dbraw/zinc/29/61/27/167296127.db2.gz HAXFFEIUDKUHJW-UHFFFAOYSA-N 1 0 240.322 2.398 10 10 BECERO CC[NH2+]Cc1ccc(N2CCC[C@H]2CO)cc1C ZINC000050582995 170127060 /nfs/dbraw/zinc/12/70/60/170127060.db2.gz GKTXORRDSUNJSZ-HNNXBMFYSA-N 1 0 248.370 2.066 10 10 BECERO CCOc1ccc(N(C)CC[NH2+]C)cc1C ZINC000107287481 170549682 /nfs/dbraw/zinc/54/96/82/170549682.db2.gz HQYPHONHGABCAX-UHFFFAOYSA-N 1 0 222.332 2.049 10 10 BECERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ccc(N)cc1 ZINC000036798082 171110035 /nfs/dbraw/zinc/11/00/35/171110035.db2.gz NIDLPJLRJSQAPL-SWLSCSKDSA-N 1 0 248.370 2.311 10 10 BECERO C[N@@H+]1CCC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000040715834 173045730 /nfs/dbraw/zinc/04/57/30/173045730.db2.gz LBRVHTUQPJRASG-VIFPVBQESA-N 1 0 239.750 2.428 10 10 BECERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000049948923 174750481 /nfs/dbraw/zinc/75/04/81/174750481.db2.gz JXTFHXWDPSWNHN-LSDHHAIUSA-N 1 0 248.370 2.410 10 10 BECERO COc1ccc(N(C)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000049969356 175135839 /nfs/dbraw/zinc/13/58/39/175135839.db2.gz QTJNIPCOEFKNEC-STQMWFEESA-N 1 0 220.316 2.011 10 10 BECERO COc1ccc(N2C[C@@H](C)C[NH2+]C[C@H](C)C2)cc1 ZINC000049662807 175139408 /nfs/dbraw/zinc/13/94/08/175139408.db2.gz ZSXZEEVEDLBSEX-STQMWFEESA-N 1 0 248.370 2.377 10 10 BECERO COc1ccc(N2C[C@H](C)C[NH2+]C[C@@H](C)C2)cc1 ZINC000049662808 175140126 /nfs/dbraw/zinc/14/01/26/175140126.db2.gz ZSXZEEVEDLBSEX-CHWSQXEVSA-N 1 0 248.370 2.377 10 10 BECERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052270640 175160738 /nfs/dbraw/zinc/16/07/38/175160738.db2.gz XASUFKCOHVUPMO-HOTUBEGUSA-N 1 0 221.300 2.460 10 10 BECERO C[C@@H]([NH3+])c1ccc(N(CCO)C2CCCC2)cc1 ZINC000042509895 175817697 /nfs/dbraw/zinc/81/76/97/175817697.db2.gz KGUBFJVEKHSSKL-GFCCVEGCSA-N 1 0 248.370 2.448 10 10 BECERO C[C@@H]1CCC[N@H+](Cc2cc(N)ccc2O)C1 ZINC000037272160 176099753 /nfs/dbraw/zinc/09/97/53/176099753.db2.gz VFISIGZHXZIOOH-SNVBAGLBSA-N 1 0 220.316 2.206 10 10 BECERO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(N)ccc2O)C1 ZINC000037272596 176361779 /nfs/dbraw/zinc/36/17/79/176361779.db2.gz PWTLQNHNEFZUCA-GHMZBOCLSA-N 1 0 234.343 2.452 10 10 BECERO CC[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000034823294 535479937 /nfs/dbraw/zinc/47/99/37/535479937.db2.gz RPMUBCNIYYYSCB-STQMWFEESA-N 1 0 248.370 2.410 10 10 BECERO CC[NH2+]Cc1ccc(N2C[C@H](C)OC[C@@H]2C)cc1 ZINC000035788550 535479992 /nfs/dbraw/zinc/47/99/92/535479992.db2.gz YZVIHRXXMCFTKY-STQMWFEESA-N 1 0 248.370 2.410 10 10 BECERO C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000034823297 536469962 /nfs/dbraw/zinc/46/99/62/536469962.db2.gz OQUPCXCMXXEIRU-VXGBXAGGSA-N 1 0 234.343 2.020 10 10 BECERO Oc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000129980358 591426368 /nfs/dbraw/zinc/42/63/68/591426368.db2.gz NAXWOPJUSQZUHG-UHFFFAOYSA-N 1 0 202.257 2.010 10 10 BECERO C[C@@H]([NH2+]C1CSC1)c1ccccc1O ZINC000215965302 592001306 /nfs/dbraw/zinc/00/13/06/592001306.db2.gz CUXZZHGYFSYDQA-MRVPVSSYSA-N 1 0 209.314 2.158 10 10 BECERO COC1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000310350806 632726527 /nfs/dbraw/zinc/72/65/27/632726527.db2.gz QOEQEKBUFLOVHL-MCIGGMRASA-N 1 0 233.311 2.147 10 10 BECERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000049948673 643563472 /nfs/dbraw/zinc/56/34/72/643563472.db2.gz RFMYJEKYMRSLNI-ZFWWWQNUSA-N 1 0 247.338 2.279 10 10 BECERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(N(C)C)cc1 ZINC000091424859 644625171 /nfs/dbraw/zinc/62/51/71/644625171.db2.gz WWTCJYUKYSFVFH-XIKARTHZSA-N 1 0 248.370 2.174 10 10 BECERO COC(C)(C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000711854140 712337050 /nfs/dbraw/zinc/33/70/50/712337050.db2.gz MHNRIRCNLGIUDQ-UHFFFAOYSA-N 1 0 241.306 2.436 10 10 BECERO COCC1CC([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000713936563 712381661 /nfs/dbraw/zinc/38/16/61/712381661.db2.gz ZUVQNUZFRTYXPW-UNXYVOJBSA-N 1 0 235.327 2.468 10 10 BECERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037164241 712549562 /nfs/dbraw/zinc/54/95/62/712549562.db2.gz ZVKUKCOJMNDXPU-UKRRQHHQSA-N 1 0 248.370 2.146 10 10 BECERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037164237 712549641 /nfs/dbraw/zinc/54/96/41/712549641.db2.gz ZVKUKCOJMNDXPU-HIFRSBDPSA-N 1 0 248.370 2.146 10 10 BECERO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037164243 712549763 /nfs/dbraw/zinc/54/97/63/712549763.db2.gz ZVKUKCOJMNDXPU-DZGCQCFKSA-N 1 0 248.370 2.146 10 10 BECERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1O ZINC000037166100 712549833 /nfs/dbraw/zinc/54/98/33/712549833.db2.gz VBJMPIMXLLEPPD-SRVKXCTJSA-N 1 0 235.327 2.346 10 10 BECERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1C ZINC000037321338 712568368 /nfs/dbraw/zinc/56/83/68/712568368.db2.gz PFPRFRSMUJDYHT-ZIAGYGMSSA-N 1 0 249.354 2.397 10 10 BECERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037363587 712574905 /nfs/dbraw/zinc/57/49/05/712574905.db2.gz MAJJXLWISYVWRA-KBPBESRZSA-N 1 0 247.338 2.015 10 10 BECERO Cc1cc(N2CCCSCC2)ccc1C[NH3+] ZINC000050583228 178114725 /nfs/dbraw/zinc/11/47/25/178114725.db2.gz KNMJVSDSZYPICL-UHFFFAOYSA-N 1 0 236.384 2.397 10 10 BECERO c1csc(SC[C@H]2CCC[NH2+]C2)n1 ZINC000043471801 343474617 /nfs/dbraw/zinc/47/46/17/343474617.db2.gz MHNQVNNHHVOMKZ-QMMMGPOBSA-N 1 0 214.359 2.235 10 10 BECERO [NH3+][C@@H](CF)c1cccc(Br)c1[O-] ZINC000238574672 345079158 /nfs/dbraw/zinc/07/91/58/345079158.db2.gz PXQLMLQEYIATDL-ZETCQYMHSA-N 1 0 234.068 2.124 10 10 BECERO CC(=O)Nc1ccc(C[NH+]2CCCCC2)c(O)c1 ZINC000034395916 345824568 /nfs/dbraw/zinc/82/45/68/345824568.db2.gz OAZYOEPRHCEZFE-UHFFFAOYSA-N 1 0 248.326 2.337 10 10 BECERO Cc1ncc(C[NH2+]Cc2ccc(N)cc2)s1 ZINC000049538864 180155211 /nfs/dbraw/zinc/15/52/11/180155211.db2.gz TWFCYKTZYNFEEJ-UHFFFAOYSA-N 1 0 233.340 2.324 10 10 BECERO [NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000306578691 360468660 /nfs/dbraw/zinc/46/86/60/360468660.db2.gz MJSAWBJQRYQSJQ-MRVPVSSYSA-N 1 0 235.114 2.048 10 10 BECERO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N)cc2)C1 ZINC000204297093 363919304 /nfs/dbraw/zinc/91/93/04/363919304.db2.gz ADEHHNQEZMQYGS-WFASDCNBSA-N 1 0 245.370 2.332 10 10 BECERO Nc1cc([C@@H]2CNc3ccccc3N2)ccn1 ZINC000616689830 369112277 /nfs/dbraw/zinc/11/22/77/369112277.db2.gz HRMKVZLXJGGYJB-LBPRGKRZSA-N 1 0 226.283 2.073 10 10 BECERO Cc1ccc([C@@H](C)[NH+]2CCOCC2)c(O)c1 ZINC000132445597 371824096 /nfs/dbraw/zinc/82/40/96/371824096.db2.gz USFGJYGEELEEHS-LLVKDONJSA-N 1 0 221.300 2.094 10 10 BECERO CCC[N@H+](C)[C@@H]1CCc2cc(O)c(O)cc2C1 ZINC000006380220 169087349 /nfs/dbraw/zinc/08/73/49/169087349.db2.gz HFZBRDRTJMQKHA-GFCCVEGCSA-N 1 0 235.327 2.297 10 10 BECERO CCC[N@H+](C)[C@H]1CCc2c(O)c(O)ccc2C1 ZINC000095913215 169088630 /nfs/dbraw/zinc/08/86/30/169088630.db2.gz PGJVWCCOINQJTB-NSHDSACASA-N 1 0 235.327 2.297 10 10 BECERO Oc1ccc(C[NH2+]Cc2ccccc2)cc1O ZINC000019899459 183271040 /nfs/dbraw/zinc/27/10/40/183271040.db2.gz OYXUKLDAMMXOJQ-UHFFFAOYSA-N 1 0 229.279 2.388 10 10 BECERO Oc1ccc([C@H]2C[NH2+]Cc3ccccc32)cc1O ZINC000013826415 183278019 /nfs/dbraw/zinc/27/80/19/183278019.db2.gz CMPLLVRADIMHPM-CYBMUJFWSA-N 1 0 241.290 2.333 10 10 BECERO CCCN(CCC)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036193695 169154396 /nfs/dbraw/zinc/15/43/96/169154396.db2.gz WCVWUTKBLDCSPS-ZDUSSCGKSA-N 1 0 247.342 2.265 10 10 BECERO C[C@H]([NH3+])c1cc(Br)ccc1O ZINC000052066670 384714135 /nfs/dbraw/zinc/71/41/35/384714135.db2.gz WPXYTMUWZPNGLQ-YFKPBYRVSA-N 1 0 216.078 2.174 10 10 BECERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000052269284 385268705 /nfs/dbraw/zinc/26/87/05/385268705.db2.gz CXMYJFFBZIQBKD-MFKMUULPSA-N 1 0 204.317 2.251 10 10 BECERO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000156017619 385428378 /nfs/dbraw/zinc/42/83/78/385428378.db2.gz MFYNENXEZGIUQM-ZDUSSCGKSA-N 1 0 248.370 2.084 10 10 BECERO C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000052067152 385632430 /nfs/dbraw/zinc/63/24/30/385632430.db2.gz YKNOTZCIAZEZII-LURJTMIESA-N 1 0 230.105 2.435 10 10 BECERO Cc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000228174767 387080524 /nfs/dbraw/zinc/08/05/24/387080524.db2.gz POIFVGYWXHJZBJ-ZIAGYGMSSA-N 1 0 247.338 2.454 10 10 BECERO CCOc1cccc([C@@H]([NH3+])CC(F)F)c1O ZINC000575437414 387107568 /nfs/dbraw/zinc/10/75/68/387107568.db2.gz DZFWZKQWEYFQIZ-QMMMGPOBSA-N 1 0 231.242 2.446 10 10 BECERO COc1ccc([C@@H]([NH3+])CC(F)F)c(O)c1 ZINC000575437889 387112446 /nfs/dbraw/zinc/11/24/46/387112446.db2.gz CERYERXEIPEJDX-QMMMGPOBSA-N 1 0 217.215 2.056 10 10 BECERO Oc1ccccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000230316718 387260528 /nfs/dbraw/zinc/26/05/28/387260528.db2.gz MUYCQTDVTVLDJI-TZMCWYRMSA-N 1 0 233.311 2.049 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2CCOCC2)c(Cl)c1 ZINC000058826288 132368534 /nfs/dbraw/zinc/36/85/34/132368534.db2.gz IMOGLFQWFYYGEB-SECBINFHSA-N 1 0 240.734 2.196 10 10 BECERO CC[C@H](C)[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000011756036 132320387 /nfs/dbraw/zinc/32/03/87/132320387.db2.gz PIQNUMJYSNGQRD-LBPRGKRZSA-N 1 0 233.359 2.189 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019872071 132328599 /nfs/dbraw/zinc/32/85/99/132328599.db2.gz UBAGSDZWGFFCEY-IJLUTSLNSA-N 1 0 234.343 2.320 10 10 BECERO C/C=C/COc1ccc(N2CC[NH2+]CC2)cc1 ZINC000035650816 132338818 /nfs/dbraw/zinc/33/88/18/132338818.db2.gz HQYKOQVKDZJUPR-NSCUHMNNSA-N 1 0 232.327 2.051 10 10 BECERO CC(C)[NH2+]Cc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035777801 132339297 /nfs/dbraw/zinc/33/92/97/132339297.db2.gz FRKDYYXMFWRUTF-ZDUSSCGKSA-N 1 0 248.370 2.410 10 10 BECERO CC[C@@H]1CN(c2ccc(C[NH2+]C)c(C)c2)CCO1 ZINC000050582211 132359339 /nfs/dbraw/zinc/35/93/39/132359339.db2.gz OLFZFRGJKSDXQZ-OAHLLOKOSA-N 1 0 248.370 2.330 10 10 BECERO Cc1cc(N2CCSCC2)ccc1C[NH3+] ZINC000050581612 132359360 /nfs/dbraw/zinc/35/93/60/132359360.db2.gz KIWMCWZJDMCNER-UHFFFAOYSA-N 1 0 222.357 2.007 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1O ZINC000249174623 135035870 /nfs/dbraw/zinc/03/58/70/135035870.db2.gz LXAJAYFVXHQQLK-BFHYXJOUSA-N 1 0 247.338 2.358 10 10 BECERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1O ZINC000156082752 397755668 /nfs/dbraw/zinc/75/56/68/397755668.db2.gz ACQVJCBUKBIHOL-AWEZNQCLSA-N 1 0 248.370 2.308 10 10 BECERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297744203 410047460 /nfs/dbraw/zinc/04/74/60/410047460.db2.gz OBOXLGPDCUWIOD-DGCLKSJQSA-N 1 0 249.354 2.376 10 10 BECERO CC(C)[NH2+]C[C@H]1CCc2c1ccc(O)c2O ZINC000029210999 167115394 /nfs/dbraw/zinc/11/53/94/167115394.db2.gz FDHQCFVIUFBAKN-SECBINFHSA-N 1 0 221.300 2.126 10 10 BECERO CC(C)Oc1ccc(N2CC[C@H](C[NH3+])C2)cc1 ZINC000011891689 167295663 /nfs/dbraw/zinc/29/56/63/167295663.db2.gz QMPIDKARIZLSSH-GFCCVEGCSA-N 1 0 234.343 2.259 10 10 BECERO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000036786505 167368079 /nfs/dbraw/zinc/36/80/79/167368079.db2.gz GUCXNWXHNYLACT-LLVKDONJSA-N 1 0 249.358 2.184 10 10 BECERO CC(C)[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020306225 167382352 /nfs/dbraw/zinc/38/23/52/167382352.db2.gz ROVDEWINAIHUHU-SECBINFHSA-N 1 0 209.289 2.232 10 10 BECERO CC[NH2+]C[C@H]1CCCc2c(O)c(O)ccc21 ZINC000029207579 170122735 /nfs/dbraw/zinc/12/27/35/170122735.db2.gz KHRKCQJGDMFZPA-SECBINFHSA-N 1 0 221.300 2.127 10 10 BECERO CCOCCC[NH2+][C@H](C)c1cc(O)ccc1O ZINC000019962983 170381987 /nfs/dbraw/zinc/38/19/87/170381987.db2.gz RQHOFCMKSQSMHG-SNVBAGLBSA-N 1 0 239.315 2.175 10 10 BECERO CN(CC1CC1)c1c(F)cc(C[NH3+])cc1F ZINC000062711538 172652396 /nfs/dbraw/zinc/65/23/96/172652396.db2.gz MDOJTBUCNNNRTN-UHFFFAOYSA-N 1 0 226.270 2.270 10 10 BECERO C[N@@H+]1CCC[C@H]1CCOc1ccc(N)cc1 ZINC000040240445 173053320 /nfs/dbraw/zinc/05/33/20/173053320.db2.gz NGXYSXVDVQRSHD-LBPRGKRZSA-N 1 0 220.316 2.132 10 10 BECERO C[NH2+]CCN(C)c1ccc(OC(C)C)c(C)c1 ZINC000107290856 173353560 /nfs/dbraw/zinc/35/35/60/173353560.db2.gz YJVZRWQFPJPYMU-UHFFFAOYSA-N 1 0 236.359 2.438 10 10 BECERO C[NH2+]Cc1ccc(N2CCCO[C@@H](C)C2)cc1 ZINC000061920064 173388751 /nfs/dbraw/zinc/38/87/51/173388751.db2.gz LLHMQAVWZRCENF-LBPRGKRZSA-N 1 0 234.343 2.021 10 10 BECERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C2)c(F)c1 ZINC000040719259 173389092 /nfs/dbraw/zinc/38/90/92/173389092.db2.gz FCKICNMZCVGFPU-SNVBAGLBSA-N 1 0 222.307 2.391 10 10 BECERO COc1ccc(O)c(C[NH2+]C2CCC2)c1 ZINC000052207539 175158540 /nfs/dbraw/zinc/15/85/40/175158540.db2.gz FTJDGRUEVPMEIR-UHFFFAOYSA-N 1 0 207.273 2.043 10 10 BECERO COc1ccc([C@H]([NH3+])c2ccccc2)c(O)c1 ZINC000021966800 175192816 /nfs/dbraw/zinc/19/28/16/175192816.db2.gz JCIIGUMSSXZLOY-CQSZACIVSA-N 1 0 229.279 2.449 10 10 BECERO C[C@@H]([NH3+])c1ccc(N(C)C[C@H]2CCCO2)cc1 ZINC000103953268 175817212 /nfs/dbraw/zinc/81/72/12/175817212.db2.gz BSWVZYDIAZDBEO-BXUZGUMPSA-N 1 0 234.343 2.322 10 10 BECERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccccc1O ZINC000019946646 175917280 /nfs/dbraw/zinc/91/72/80/175917280.db2.gz PUKWWJGAKLLMCJ-BXUZGUMPSA-N 1 0 246.354 2.137 10 10 BECERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000245847034 176324548 /nfs/dbraw/zinc/32/45/48/176324548.db2.gz CIRLETGMTNOXEE-OCCSQVGLSA-N 1 0 246.354 2.061 10 10 BECERO C[C@@H]1C[NH2+][C@@H](c2ccc(N(C)C)cc2)C1 ZINC000003705066 176330872 /nfs/dbraw/zinc/33/08/72/176330872.db2.gz DVITZOYXQOOEPO-GXFFZTMASA-N 1 0 204.317 2.423 10 10 BECERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000093606553 176347442 /nfs/dbraw/zinc/34/74/42/176347442.db2.gz DKFCUYFJDMIVMH-CHWSQXEVSA-N 1 0 248.370 2.362 10 10 BECERO C[C@H]([NH3+])c1ccc(N(C)C2CC2)c(F)c1 ZINC000037081259 176776985 /nfs/dbraw/zinc/77/69/85/176776985.db2.gz ZHYAEAKAMMQBNM-QMMMGPOBSA-N 1 0 208.280 2.444 10 10 BECERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1ccncc1 ZINC000020121172 176875171 /nfs/dbraw/zinc/87/51/71/176875171.db2.gz ZRUISXQAIRIVRG-JTQLQIEISA-N 1 0 244.294 2.344 10 10 BECERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000052274860 177350035 /nfs/dbraw/zinc/35/00/35/177350035.db2.gz CNVCEUDHYZFQEI-CABZTGNLSA-N 1 0 203.285 2.120 10 10 BECERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000052274863 177385433 /nfs/dbraw/zinc/38/54/33/177385433.db2.gz CNVCEUDHYZFQEI-JOYOIKCWSA-N 1 0 203.285 2.120 10 10 BECERO C[C@H]1c2cc(O)c(O)cc2C(C)(C)C[N@H+]1C ZINC000584639481 490181756 /nfs/dbraw/zinc/18/17/56/490181756.db2.gz ODFDXBHGMQWFHZ-QMMMGPOBSA-N 1 0 221.300 2.382 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000135623990 491121182 /nfs/dbraw/zinc/12/11/82/491121182.db2.gz QSHJWZMJPIKMBB-UKRRQHHQSA-N 1 0 249.354 2.484 10 10 BECERO CCOc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049694259 535735611 /nfs/dbraw/zinc/73/56/11/535735611.db2.gz ZGEHDEZQVZCRTM-RYUDHWBXSA-N 1 0 234.343 2.401 10 10 BECERO COc1ccc(N2CC(C)(C)[NH2+]C[C@H]2C)cc1 ZINC000058445776 536667503 /nfs/dbraw/zinc/66/75/03/536667503.db2.gz VNUCBKILTQROSR-LLVKDONJSA-N 1 0 234.343 2.272 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049693931 536707209 /nfs/dbraw/zinc/70/72/09/536707209.db2.gz RRDUSDDSJHQFEA-QWRGUYRKSA-N 1 0 220.316 2.011 10 10 BECERO Cc1cccc(C[NH2+]CC[C@H]2CCCO2)c1O ZINC000124695155 590075481 /nfs/dbraw/zinc/07/54/81/590075481.db2.gz WYWWKEFQQZMUKE-CYBMUJFWSA-N 1 0 235.327 2.359 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1O ZINC000127875899 590824508 /nfs/dbraw/zinc/82/45/08/590824508.db2.gz PTFNZYGMWWCBIQ-OLZOCXBDSA-N 1 0 235.327 2.094 10 10 BECERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000308907558 632393638 /nfs/dbraw/zinc/39/36/38/632393638.db2.gz PJGSHLZDDLRLIQ-DVVUODLYSA-N 1 0 203.285 2.378 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000071407966 643144032 /nfs/dbraw/zinc/14/40/32/643144032.db2.gz RXHMPAUKDQZVRW-OLZOCXBDSA-N 1 0 235.327 2.094 10 10 BECERO COCC1CC([NH2+]Cc2cccc(C)c2O)C1 ZINC000713935006 712473739 /nfs/dbraw/zinc/47/37/39/712473739.db2.gz JHAOJEITMBOCAV-UHFFFAOYSA-N 1 0 235.327 2.215 10 10 BECERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1O ZINC000037166098 712549845 /nfs/dbraw/zinc/54/98/45/712549845.db2.gz VBJMPIMXLLEPPD-TUAOUCFPSA-N 1 0 235.327 2.346 10 10 BECERO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)O)c1O ZINC000133193478 178064396 /nfs/dbraw/zinc/06/43/96/178064396.db2.gz UDHGTUHJKBATJW-UHFFFAOYSA-N 1 0 243.734 2.215 10 10 BECERO Cc1cc(N2CC[C@H](C)C2)ccc1C[NH3+] ZINC000050582898 178118954 /nfs/dbraw/zinc/11/89/54/178118954.db2.gz VMIMWUUDOFSWRJ-JTQLQIEISA-N 1 0 204.317 2.300 10 10 BECERO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)C)C2)cc1C ZINC000170843140 178196263 /nfs/dbraw/zinc/19/62/63/178196263.db2.gz PZQQESFCGBCVPY-AWEZNQCLSA-N 1 0 248.370 2.145 10 10 BECERO Cc1ccc(-c2cccs2)n1CC[NH3+] ZINC000041215238 178327823 /nfs/dbraw/zinc/32/78/23/178327823.db2.gz YSZXNCMAUZHUGG-UHFFFAOYSA-N 1 0 206.314 2.484 10 10 BECERO CCC(CC)N(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000102454472 168369316 /nfs/dbraw/zinc/36/93/16/168369316.db2.gz MMZVSQMFXLRSRI-CYBMUJFWSA-N 1 0 247.342 2.263 10 10 BECERO CCOC[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146333505 342767903 /nfs/dbraw/zinc/76/79/03/342767903.db2.gz RYJLSTPBGYAOFV-CQSZACIVSA-N 1 0 234.343 2.270 10 10 BECERO c1csc(SC[C@@H]2CCC[NH2+]C2)n1 ZINC000043471799 343474521 /nfs/dbraw/zinc/47/45/21/343474521.db2.gz MHNQVNNHHVOMKZ-MRVPVSSYSA-N 1 0 214.359 2.235 10 10 BECERO c1csc(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000043495452 343475080 /nfs/dbraw/zinc/47/50/80/343475080.db2.gz ZREYOJUCZVXTCJ-QMMMGPOBSA-N 1 0 214.359 2.377 10 10 BECERO CCC[C@H]([NH3+])c1c([O-])cc(F)cc1F ZINC000238242560 344999175 /nfs/dbraw/zinc/99/91/75/344999175.db2.gz YFUNPMDURVHHEM-QMMMGPOBSA-N 1 0 201.216 2.470 10 10 BECERO Cc1cc(Br)cc([C@@H]([NH3+])CF)c1O ZINC000238462189 345053382 /nfs/dbraw/zinc/05/33/82/345053382.db2.gz TXFKZGGDDQQTGF-QMMMGPOBSA-N 1 0 248.095 2.432 10 10 BECERO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](N(C)C)C2)c1O ZINC000160191743 179085225 /nfs/dbraw/zinc/08/52/25/179085225.db2.gz RHNPZSVRRYSPRG-GXTWGEPZSA-N 1 0 248.370 2.083 10 10 BECERO CN(c1ccc(C[NH3+])cc1F)[C@@H]1CCSC1 ZINC000037175483 187769037 /nfs/dbraw/zinc/76/90/37/187769037.db2.gz LUQSWLAPEMYEEO-SNVBAGLBSA-N 1 0 240.347 2.226 10 10 BECERO Cc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1O ZINC000188570749 357562548 /nfs/dbraw/zinc/56/25/48/357562548.db2.gz LXAJAYFVXHQQLK-MCIONIFRSA-N 1 0 247.338 2.358 10 10 BECERO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190336768 357700807 /nfs/dbraw/zinc/70/08/07/357700807.db2.gz LESFUOJCEOUOSC-UMVBOHGHSA-N 1 0 247.338 2.358 10 10 BECERO COc1ccc2c(c1)CCCN2CC[NH+](C)C ZINC000584612928 358276775 /nfs/dbraw/zinc/27/67/75/358276775.db2.gz UVZQAAHMXPPZJO-UHFFFAOYSA-N 1 0 234.343 2.009 10 10 BECERO CC[N@@H+]1CC[C@]2(CCN(c3ccc(N)cc3)C2)C1 ZINC000584593273 358250963 /nfs/dbraw/zinc/25/09/63/358250963.db2.gz GRQRWEAGUFCPQM-HNNXBMFYSA-N 1 0 245.370 2.191 10 10 BECERO [NH3+]Cc1cc(F)c(N2CCCC2)c(F)c1 ZINC000062708944 181476661 /nfs/dbraw/zinc/47/66/61/181476661.db2.gz XOYUQVFLOXPMAW-UHFFFAOYSA-N 1 0 212.243 2.024 10 10 BECERO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(N)cc2)C1 ZINC000113337346 370403759 /nfs/dbraw/zinc/40/37/59/370403759.db2.gz ADEHHNQEZMQYGS-IUODEOHRSA-N 1 0 245.370 2.332 10 10 BECERO [NH3+][C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000033426928 181590426 /nfs/dbraw/zinc/59/04/26/181590426.db2.gz ANBUYBAVSZVZPU-MRVPVSSYSA-N 1 0 246.232 2.123 10 10 BECERO Cc1ccc(O)c([C@H](C)[NH+]2CCOCC2)c1 ZINC000132449165 371824067 /nfs/dbraw/zinc/82/40/67/371824067.db2.gz NPFFJFSLZQFCBB-NSHDSACASA-N 1 0 221.300 2.094 10 10 BECERO CC[C@H](c1ccccc1O)[NH+]1CCOCC1 ZINC000132447207 371824576 /nfs/dbraw/zinc/82/45/76/371824576.db2.gz XRCFXVMQCMIQOO-GFCCVEGCSA-N 1 0 221.300 2.176 10 10 BECERO CCCC[NH2+]CCc1ccc(O)c(O)c1 ZINC000169323497 168866976 /nfs/dbraw/zinc/86/69/76/168866976.db2.gz XQOKXLVSCRMMOA-UHFFFAOYSA-N 1 0 209.289 2.030 10 10 BECERO CCCN(CCOC)c1ccc(C[NH3+])cc1 ZINC000034654595 169169081 /nfs/dbraw/zinc/16/90/81/169169081.db2.gz IBZXRGSSVIXCKZ-UHFFFAOYSA-N 1 0 222.332 2.008 10 10 BECERO CCOc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1O ZINC000052270888 384725437 /nfs/dbraw/zinc/72/54/37/384725437.db2.gz QFUKZBBNUFJRLH-GXSJLCMTSA-N 1 0 221.300 2.289 10 10 BECERO C[C@@H]([NH3+])c1cc(Br)ccc1O ZINC000052066671 385631297 /nfs/dbraw/zinc/63/12/97/385631297.db2.gz WPXYTMUWZPNGLQ-RXMQYKEDSA-N 1 0 216.078 2.174 10 10 BECERO Cc1ccc(O)c([C@H]([NH3+])CC(F)F)c1 ZINC000575437454 387107245 /nfs/dbraw/zinc/10/72/45/387107245.db2.gz FYAMBUXZILMAJL-MRVPVSSYSA-N 1 0 201.216 2.356 10 10 BECERO CC1(C)[C@H]([NH2+]Cc2ccccc2O)[C@@H]2CCO[C@H]21 ZINC000229012440 387137283 /nfs/dbraw/zinc/13/72/83/387137283.db2.gz AVXKSXVKZQUNDO-IACUBPJLSA-N 1 0 247.338 2.295 10 10 BECERO [NH3+]Cc1cccnc1Sc1nccs1 ZINC000040677109 388424555 /nfs/dbraw/zinc/42/45/55/388424555.db2.gz XCALQWKSFVZYOF-UHFFFAOYSA-N 1 0 223.326 2.148 10 10 BECERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1O ZINC000091524153 388764641 /nfs/dbraw/zinc/76/46/41/388764641.db2.gz QYHAXELNEHLPAN-GCZXYKMCSA-N 1 0 235.327 2.204 10 10 BECERO Cc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)c(O)c1 ZINC000091538893 388766615 /nfs/dbraw/zinc/76/66/15/388766615.db2.gz BFBRQIRBNAUQMO-VOMCLLRMSA-N 1 0 235.327 2.122 10 10 BECERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000019872073 132328426 /nfs/dbraw/zinc/32/84/26/132328426.db2.gz UBAGSDZWGFFCEY-GRYCIOLGSA-N 1 0 234.343 2.320 10 10 BECERO CC[C@@H]1CN(c2ccc([C@@H](C)[NH3+])cc2)CCO1 ZINC000036770085 132342701 /nfs/dbraw/zinc/34/27/01/132342701.db2.gz PGSHISSOOXQJAE-BXUZGUMPSA-N 1 0 234.343 2.322 10 10 BECERO CC[C@@H]1CO[C@H](C)CN1c1ccc(C[NH3+])cc1 ZINC000036794464 132342763 /nfs/dbraw/zinc/34/27/63/132342763.db2.gz QVEIICLLWVPKHY-DGCLKSJQSA-N 1 0 234.343 2.149 10 10 BECERO CC[C@H]1CN(c2ccc(C[NH3+])cc2C)CCO1 ZINC000037733227 132345307 /nfs/dbraw/zinc/34/53/07/132345307.db2.gz CRLSYZYCWVHBBL-ZDUSSCGKSA-N 1 0 234.343 2.069 10 10 BECERO CC(C)[NH2+]C[C@H]1CCc2cc(O)c(O)cc21 ZINC000029207587 167115669 /nfs/dbraw/zinc/11/56/69/167115669.db2.gz IPMXJGINCCLBSU-SNVBAGLBSA-N 1 0 221.300 2.126 10 10 BECERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297744205 410046939 /nfs/dbraw/zinc/04/69/39/410046939.db2.gz OBOXLGPDCUWIOD-WCQYABFASA-N 1 0 249.354 2.376 10 10 BECERO CC1=CC[N@H+](Cc2ccc(N)cc2)CC1 ZINC000075423276 168115726 /nfs/dbraw/zinc/11/57/26/168115726.db2.gz DWNIAUCGTCUUNW-UHFFFAOYSA-N 1 0 202.301 2.421 10 10 BECERO CCC(C)(C)[NH2+]Cc1ccc(O)cc1O ZINC000019879791 168299324 /nfs/dbraw/zinc/29/93/24/168299324.db2.gz FOGORKNZMUXBTJ-UHFFFAOYSA-N 1 0 209.289 2.376 10 10 BECERO CC[NH2+]Cc1cc(F)c(N(C)C)c(F)c1 ZINC000062709731 170125672 /nfs/dbraw/zinc/12/56/72/170125672.db2.gz ZXAKFLOXLYDUHO-UHFFFAOYSA-N 1 0 214.259 2.140 10 10 BECERO CC[NH2+]Cc1ccc(OC)c(Cn2ccnc2)c1 ZINC000016942165 170127095 /nfs/dbraw/zinc/12/70/95/170127095.db2.gz IDEVAIIBUCGMLP-UHFFFAOYSA-N 1 0 245.326 2.050 10 10 BECERO CC[NH2+][C@H]1CCN(c2ccc(OC)c(C)c2)C1 ZINC000049530922 170168035 /nfs/dbraw/zinc/16/80/35/170168035.db2.gz STCVFBDHPSOCSS-LBPRGKRZSA-N 1 0 234.343 2.192 10 10 BECERO CCOc1cc(C)c(N(C)CC[NH2+]C)cc1C ZINC000107290842 170519735 /nfs/dbraw/zinc/51/97/35/170519735.db2.gz GXQXJVRLJVFDFZ-UHFFFAOYSA-N 1 0 236.359 2.358 10 10 BECERO CC[C@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000036194668 171309379 /nfs/dbraw/zinc/30/93/79/171309379.db2.gz DFJVVXOIDBISCP-TVQRCGJNSA-N 1 0 247.342 2.134 10 10 BECERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C2)cc1 ZINC000040719238 173388983 /nfs/dbraw/zinc/38/89/83/173388983.db2.gz LVWVSVUWZWIIRT-LLVKDONJSA-N 1 0 204.317 2.252 10 10 BECERO COCCCN(c1ccc(C[NH3+])cc1)C(C)C ZINC000037753597 174225562 /nfs/dbraw/zinc/22/55/62/174225562.db2.gz ZYBKBTFGAWFBKC-UHFFFAOYSA-N 1 0 236.359 2.397 10 10 BECERO COc1ccc(N2CCC[NH2+]C[C@H](C)C2)cc1 ZINC000049662803 175139156 /nfs/dbraw/zinc/13/91/56/175139156.db2.gz QZHOATMREBQOIG-LBPRGKRZSA-N 1 0 234.343 2.131 10 10 BECERO COc1ccc(N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000011891644 175139201 /nfs/dbraw/zinc/13/92/01/175139201.db2.gz VUSDKZMZRYMYEM-SECBINFHSA-N 1 0 240.734 2.134 10 10 BECERO COc1ccc([C@H](C)[NH2+]C(C)C)c(O)c1 ZINC000020085547 175188609 /nfs/dbraw/zinc/18/86/09/175188609.db2.gz NRYHITMJUAARHW-VIFPVBQESA-N 1 0 209.289 2.460 10 10 BECERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000156075510 176322491 /nfs/dbraw/zinc/32/24/91/176322491.db2.gz CIRLETGMTNOXEE-TZMCWYRMSA-N 1 0 246.354 2.061 10 10 BECERO C[C@H]1CCCC[N@@H+]1Cc1cc(N)ccc1O ZINC000037272029 177076796 /nfs/dbraw/zinc/07/67/96/177076796.db2.gz USRLMJHVRRZKJD-JTQLQIEISA-N 1 0 220.316 2.349 10 10 BECERO C[C@H]1CCN(c2ccc(C[NH3+])cc2F)C1 ZINC000041043373 177170867 /nfs/dbraw/zinc/17/08/67/177170867.db2.gz DFDMYWMNYLYUQB-VIFPVBQESA-N 1 0 208.280 2.131 10 10 BECERO C[C@H]1CCN(c2c(F)cc(C[NH3+])cc2F)C1 ZINC000062711604 177171216 /nfs/dbraw/zinc/17/12/16/177171216.db2.gz VXJFPPOZNDOVET-QMMMGPOBSA-N 1 0 226.270 2.270 10 10 BECERO CC(C)Oc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000043471006 534999837 /nfs/dbraw/zinc/99/98/37/534999837.db2.gz RSYSLXKYOORMEA-GFCCVEGCSA-N 1 0 234.343 2.401 10 10 BECERO CC[NH2+]Cc1ccc(N2CCOC[C@H]2C)cc1C ZINC000050582165 535478833 /nfs/dbraw/zinc/47/88/33/535478833.db2.gz JSWRTRYFDRCYCU-CYBMUJFWSA-N 1 0 248.370 2.330 10 10 BECERO CC[NH2+][C@H](C)c1ccc(N2CCC(O)CC2)cc1 ZINC000034666818 535516802 /nfs/dbraw/zinc/51/68/02/535516802.db2.gz OIQJDRGSVVVVEL-GFCCVEGCSA-N 1 0 248.370 2.318 10 10 BECERO C[NH2+][C@H](C)c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000034838180 536406472 /nfs/dbraw/zinc/40/64/72/536406472.db2.gz CFADKXDIQVSRSK-NWDGAFQWSA-N 1 0 234.343 2.192 10 10 BECERO C[NH2+]Cc1ccc(N2C[C@@H](C)OC[C@H]2C)cc1 ZINC000035788556 536469513 /nfs/dbraw/zinc/46/95/13/536469513.db2.gz WXLXHYYLBJHJNH-VXGBXAGGSA-N 1 0 234.343 2.020 10 10 BECERO COc1ccc(N2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000070584864 536674538 /nfs/dbraw/zinc/67/45/38/536674538.db2.gz WQUSFWURILASRL-SECBINFHSA-N 1 0 240.734 2.276 10 10 BECERO COc1ccc(N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000049693928 536706709 /nfs/dbraw/zinc/70/67/09/536706709.db2.gz RRDUSDDSJHQFEA-GHMZBOCLSA-N 1 0 220.316 2.011 10 10 BECERO COc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000049710989 536706812 /nfs/dbraw/zinc/70/68/12/536706812.db2.gz UBJZIBSCKWYFHQ-VHSXEESVSA-N 1 0 238.306 2.150 10 10 BECERO COc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000049713984 536707190 /nfs/dbraw/zinc/70/71/90/536707190.db2.gz LFXZESGLUNSZOS-RYUDHWBXSA-N 1 0 234.343 2.320 10 10 BECERO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089163512 631498495 /nfs/dbraw/zinc/49/84/95/631498495.db2.gz PGSXGMSLDDACCW-ZFWWWQNUSA-N 1 0 248.370 2.003 10 10 BECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000309963934 634055449 /nfs/dbraw/zinc/05/54/49/634055449.db2.gz MPUWPTWJEYYBEX-OUAUKWLOSA-N 1 0 223.316 2.121 10 10 BECERO Cc1ccc(O)c(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000071409468 643142896 /nfs/dbraw/zinc/14/28/96/643142896.db2.gz FUDXUVUURRVYFV-CYBMUJFWSA-N 1 0 234.343 2.014 10 10 BECERO COc1cc(Cl)cc([C@H]([NH3+])C2CC2)c1O ZINC000757132773 643256099 /nfs/dbraw/zinc/25/60/99/643256099.db2.gz JYLDQFRLEIWACV-SNVBAGLBSA-N 1 0 227.691 2.464 10 10 BECERO