smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCc2ccc(N)cc2)nc(C)[nH+]1 ZINC000037756881 178173267 /nfs/dbraw/zinc/17/32/67/178173267.db2.gz YFKMEEAJRMWJHK-UHFFFAOYSA-N 1 1 228.299 2.288 10 10 BECEMO Cc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000124561012 179079359 /nfs/dbraw/zinc/07/93/59/179079359.db2.gz POIFVGYWXHJZBJ-KBPBESRZSA-N 1 1 247.338 2.454 10 10 BECEMO Cc1cccc(C[N@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1O ZINC000226379620 179084121 /nfs/dbraw/zinc/08/41/21/179084121.db2.gz RHNPZSVRRYSPRG-JSGCOSHPSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1cccc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1O ZINC000226379620 179084123 /nfs/dbraw/zinc/08/41/23/179084123.db2.gz RHNPZSVRRYSPRG-JSGCOSHPSA-N 1 1 248.370 2.083 10 10 BECEMO CCCC[N@@H+](C)CCc1ccc(O)c(O)c1 ZINC000033826829 168774451 /nfs/dbraw/zinc/77/44/51/168774451.db2.gz CQZHJKYKNYLEQM-UHFFFAOYSA-N 1 1 223.316 2.372 10 10 BECEMO CC[N@H+]1CC[C@@]2(CCN(c3ccc(N)cc3)C2)C1 ZINC000584593275 358250863 /nfs/dbraw/zinc/25/08/63/358250863.db2.gz GRQRWEAGUFCPQM-OAHLLOKOSA-N 1 1 245.370 2.191 10 10 BECEMO Oc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132761331 358736240 /nfs/dbraw/zinc/73/62/40/358736240.db2.gz RUDZBBYUMQICIX-JSGCOSHPSA-N 1 1 233.311 2.146 10 10 BECEMO Nc1ccc(CC[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000035677195 181705218 /nfs/dbraw/zinc/70/52/18/181705218.db2.gz IBUZVFLJILRXQX-HNNXBMFYSA-N 1 1 248.370 2.048 10 10 BECEMO Cc1ccc(O)c(C[N@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1 ZINC000217747100 385890787 /nfs/dbraw/zinc/89/07/87/385890787.db2.gz UZMDIQFLHZXZGU-JSGCOSHPSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1ccc(O)c(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000217747100 385890788 /nfs/dbraw/zinc/89/07/88/385890788.db2.gz UZMDIQFLHZXZGU-JSGCOSHPSA-N 1 1 248.370 2.083 10 10 BECEMO CCC[C@@](C)(O)C[NH2+]Cc1cccc(F)c1O ZINC000226608124 386344795 /nfs/dbraw/zinc/34/47/95/386344795.db2.gz PYMVYCWNSOKBTO-CYBMUJFWSA-N 1 1 241.306 2.172 10 10 BECEMO [NH3+][C@H](CC(F)F)c1cccc(F)c1O ZINC000575437924 387112712 /nfs/dbraw/zinc/11/27/12/387112712.db2.gz YWJREJUOHPDBQJ-SSDOTTSWSA-N 1 1 205.179 2.186 10 10 BECEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000165149746 388251410 /nfs/dbraw/zinc/25/14/10/388251410.db2.gz REIRERKLYFXGFK-MRVPVSSYSA-N 1 1 209.264 2.419 10 10 BECEMO [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)ccc1[O-] ZINC000575439899 388629770 /nfs/dbraw/zinc/62/97/70/388629770.db2.gz XTWGCWNRDKKHHQ-JTQLQIEISA-N 1 1 228.723 2.174 10 10 BECEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccccc1O ZINC000156082637 397754771 /nfs/dbraw/zinc/75/47/71/397754771.db2.gz ACQVJCBUKBIHOL-CQSZACIVSA-N 1 1 248.370 2.308 10 10 BECEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000156082637 397754774 /nfs/dbraw/zinc/75/47/74/397754774.db2.gz ACQVJCBUKBIHOL-CQSZACIVSA-N 1 1 248.370 2.308 10 10 BECEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1O ZINC000156082637 397754776 /nfs/dbraw/zinc/75/47/76/397754776.db2.gz ACQVJCBUKBIHOL-CQSZACIVSA-N 1 1 248.370 2.308 10 10 BECEMO C[C@H](c1ccc(N(C)C)cc1)N1CCC([NH3+])CC1 ZINC000037902607 177034757 /nfs/dbraw/zinc/03/47/57/177034757.db2.gz UPQWZYKDCAVFCT-GFCCVEGCSA-N 1 1 247.386 2.237 10 10 BECEMO C[C@H]1CC[N@@H+](CCc2ccc(N)cc2)C1 ZINC000040716979 177160999 /nfs/dbraw/zinc/16/09/99/177160999.db2.gz LRUSWXQCAIFTIK-NSHDSACASA-N 1 1 204.317 2.153 10 10 BECEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000156075628 177280807 /nfs/dbraw/zinc/28/08/07/177280807.db2.gz CIRLETGMTNOXEE-GXTWGEPZSA-N 1 1 246.354 2.061 10 10 BECEMO Cc1cc(Br)c(O)c([C@H](C)[NH3+])c1 ZINC000024863161 591274046 /nfs/dbraw/zinc/27/40/46/591274046.db2.gz OCUNYYHZQCQDIR-LURJTMIESA-N 1 1 230.105 2.483 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CC1CCOCC1 ZINC000158769464 632485940 /nfs/dbraw/zinc/48/59/40/632485940.db2.gz JNEQCWXLMBUQGB-UHFFFAOYSA-N 1 1 239.290 2.048 10 10 BECEMO COC[C@@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000132958173 645856799 /nfs/dbraw/zinc/85/67/99/645856799.db2.gz NKKXXDWZSJRSDO-NSHDSACASA-N 1 1 223.316 2.107 10 10 BECEMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711494282 712306233 /nfs/dbraw/zinc/30/62/33/712306233.db2.gz YUZXXWPMDFKSAD-VIFPVBQESA-N 1 1 227.254 2.323 10 10 BECEMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711494282 712306236 /nfs/dbraw/zinc/30/62/36/712306236.db2.gz YUZXXWPMDFKSAD-VIFPVBQESA-N 1 1 227.254 2.323 10 10 BECEMO CC(C)[C@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000226611770 187321209 /nfs/dbraw/zinc/32/12/09/187321209.db2.gz MXUZXZKFTZNPGN-LBPRGKRZSA-N 1 1 241.306 2.028 10 10 BECEMO CO[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146525680 342770714 /nfs/dbraw/zinc/77/07/14/342770714.db2.gz GEGHEJOSZOWZLU-BXUZGUMPSA-N 1 1 234.343 2.268 10 10 BECEMO Cc1[nH+]ccn1CCn1ccc2cc(N)ccc21 ZINC000049330474 180262333 /nfs/dbraw/zinc/26/23/33/180262333.db2.gz SAFJMJYZYUNXCZ-UHFFFAOYSA-N 1 1 240.310 2.429 10 10 BECEMO CC(C)[N@@H+](CCN(C)C)Cc1ccc(N)cc1 ZINC000035365365 188285598 /nfs/dbraw/zinc/28/55/98/188285598.db2.gz QPXQUDNYICVYKI-UHFFFAOYSA-N 1 1 235.375 2.041 10 10 BECEMO CC(C)N(CC[NH+](C)C)Cc1ccc(N)cc1 ZINC000035365365 188285599 /nfs/dbraw/zinc/28/55/99/188285599.db2.gz QPXQUDNYICVYKI-UHFFFAOYSA-N 1 1 235.375 2.041 10 10 BECEMO Oc1c(F)cccc1C[NH2+]Cc1ccccn1 ZINC000083358641 183255458 /nfs/dbraw/zinc/25/54/58/183255458.db2.gz GZXASCSICUGZNQ-UHFFFAOYSA-N 1 1 232.258 2.216 10 10 BECEMO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1O ZINC000109546030 385174156 /nfs/dbraw/zinc/17/41/56/385174156.db2.gz QBICLXFCBCYULK-ONGXEEELSA-N 1 1 239.290 2.361 10 10 BECEMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000369214509 387034352 /nfs/dbraw/zinc/03/43/52/387034352.db2.gz LFRRRYHMZMXKLD-GXTWGEPZSA-N 1 1 247.338 2.311 10 10 BECEMO [NH3+][C@@H](CC(F)F)c1cccc(F)c1O ZINC000575440003 387127710 /nfs/dbraw/zinc/12/77/10/387127710.db2.gz YWJREJUOHPDBQJ-ZETCQYMHSA-N 1 1 205.179 2.186 10 10 BECEMO CC[C@H](C)[N@@H+](C)Cc1cc(N)ccc1O ZINC000037273407 171307816 /nfs/dbraw/zinc/30/78/16/171307816.db2.gz ZBQNRFXNHJIFAH-VIFPVBQESA-N 1 1 208.305 2.205 10 10 BECEMO CCn1cc[nH+]c1Cc1ccc(N)cc1 ZINC000082734748 172226677 /nfs/dbraw/zinc/22/66/77/172226677.db2.gz UNJKTWYUHSJCHX-UHFFFAOYSA-N 1 1 201.273 2.076 10 10 BECEMO C[C@@H]1C[N@H+](CCCc2ccc(N)cc2)C[C@H](C)O1 ZINC000058267401 177250292 /nfs/dbraw/zinc/25/02/92/177250292.db2.gz WZHUIGKWESKDTF-BETUJISGSA-N 1 1 248.370 2.311 10 10 BECEMO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000226617623 177370037 /nfs/dbraw/zinc/37/00/37/177370037.db2.gz ACONUDNYVZHPOD-GXSJLCMTSA-N 1 1 239.290 2.188 10 10 BECEMO CO[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146525087 342770703 /nfs/dbraw/zinc/77/07/03/342770703.db2.gz GEGHEJOSZOWZLU-FZMZJTMJSA-N 1 1 234.343 2.268 10 10 BECEMO Cc1nc(C[NH2+]Cc2ccc(N)cc2)cs1 ZINC000049539028 179969998 /nfs/dbraw/zinc/96/99/98/179969998.db2.gz YQNYRZPUQZAOBF-UHFFFAOYSA-N 1 1 233.340 2.324 10 10 BECEMO C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(N)cc2)C1 ZINC000113337348 370403448 /nfs/dbraw/zinc/40/34/48/370403448.db2.gz ADEHHNQEZMQYGS-SWLSCSKDSA-N 1 1 245.370 2.332 10 10 BECEMO Oc1c(F)cccc1C[NH2+]Cc1ccncc1 ZINC000083358645 183254146 /nfs/dbraw/zinc/25/41/46/183254146.db2.gz KVWGZTPXMQNHIQ-UHFFFAOYSA-N 1 1 232.258 2.216 10 10 BECEMO CCC[N@@H+](CCN(C)C)Cc1ccc(N)cc1 ZINC000035364783 169157168 /nfs/dbraw/zinc/15/71/68/169157168.db2.gz LCFFLACQHRGZDY-UHFFFAOYSA-N 1 1 235.375 2.042 10 10 BECEMO CCCN(CC[NH+](C)C)Cc1ccc(N)cc1 ZINC000035364783 169157170 /nfs/dbraw/zinc/15/71/70/169157170.db2.gz LCFFLACQHRGZDY-UHFFFAOYSA-N 1 1 235.375 2.042 10 10 BECEMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1 ZINC000131461091 385337050 /nfs/dbraw/zinc/33/70/50/385337050.db2.gz UZMDIQFLHZXZGU-TZMCWYRMSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000131461091 385337059 /nfs/dbraw/zinc/33/70/59/385337059.db2.gz UZMDIQFLHZXZGU-TZMCWYRMSA-N 1 1 248.370 2.083 10 10 BECEMO CS[C@@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000163179118 388258084 /nfs/dbraw/zinc/25/80/84/388258084.db2.gz GXOAJNZJNYITPC-QMMMGPOBSA-N 1 1 229.320 2.372 10 10 BECEMO CCN(CC)c1ccc([C@H](CN)[NH+](C)C)cc1 ZINC000039789108 388410765 /nfs/dbraw/zinc/41/07/65/388410765.db2.gz VHVVIKIIYGVKII-AWEZNQCLSA-N 1 1 235.375 2.094 10 10 BECEMO CCOCCC[NH2+]Cc1cccc(F)c1O ZINC000083355404 170381409 /nfs/dbraw/zinc/38/14/09/170381409.db2.gz IICQUHGWMFZRTA-UHFFFAOYSA-N 1 1 227.279 2.048 10 10 BECEMO COCCCC[NH2+]Cc1cccc(F)c1O ZINC000165158335 174200114 /nfs/dbraw/zinc/20/01/14/174200114.db2.gz WJOKSHPBLUSUDA-UHFFFAOYSA-N 1 1 227.279 2.048 10 10 BECEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093606551 177299217 /nfs/dbraw/zinc/29/92/17/177299217.db2.gz DKFCUYFJDMIVMH-BETUJISGSA-N 1 1 248.370 2.362 10 10 BECEMO C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000163168621 636081920 /nfs/dbraw/zinc/08/19/20/636081920.db2.gz GDZRXPXWMJLRBA-PSASIEDQSA-N 1 1 209.264 2.277 10 10 BECEMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](C)O ZINC000309932867 633955610 /nfs/dbraw/zinc/95/56/10/633955610.db2.gz YTYCBNKGIYGPFP-RQJHMYQMSA-N 1 1 247.697 2.044 10 10 BECEMO CC[N@H+](Cc1cccc(F)c1O)[C@@H]1CCOC1 ZINC000310524655 634156500 /nfs/dbraw/zinc/15/65/00/634156500.db2.gz MTLMRMYWHKMFOP-LLVKDONJSA-N 1 1 239.290 2.142 10 10 BECEMO CC[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCOC1 ZINC000310524655 634156503 /nfs/dbraw/zinc/15/65/03/634156503.db2.gz MTLMRMYWHKMFOP-LLVKDONJSA-N 1 1 239.290 2.142 10 10 BECEMO C[C@@]1([NH2+]Cc2cccc(F)c2O)CCCOC1 ZINC000226626085 640784554 /nfs/dbraw/zinc/78/45/54/640784554.db2.gz HRINMPFBSQURTN-CYBMUJFWSA-N 1 1 239.290 2.190 10 10 BECEMO COC[C@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000132958409 645857141 /nfs/dbraw/zinc/85/71/41/645857141.db2.gz NKKXXDWZSJRSDO-LLVKDONJSA-N 1 1 223.316 2.107 10 10 BECEMO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc(F)c1O ZINC000716855797 712578777 /nfs/dbraw/zinc/57/87/77/712578777.db2.gz XHMOCKVIHFZJDN-GXSJLCMTSA-N 1 1 241.306 2.170 10 10 BECEMO CCC[C@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000716831604 712577628 /nfs/dbraw/zinc/57/76/28/712577628.db2.gz UQKUXACRUNBEBN-LLVKDONJSA-N 1 1 241.306 2.172 10 10 BECEMO Nc1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000048895890 983236886 /nfs/dbraw/zinc/23/68/86/983236886.db2.gz CAPPURAALHJHNX-UHFFFAOYSA-N 1 1 222.357 2.208 10 10 BECEMO CO[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146525486 343302247 /nfs/dbraw/zinc/30/22/47/343302247.db2.gz GEGHEJOSZOWZLU-SMDDNHRTSA-N 1 1 234.343 2.268 10 10 BECEMO Nc1ccc([NH+]2CCC(CF)CC2)cc1 ZINC000409425875 343820840 /nfs/dbraw/zinc/82/08/40/343820840.db2.gz HENVOLUEKWPBBW-UHFFFAOYSA-N 1 1 208.280 2.455 10 10 BECEMO Cc1cccc(C[N@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000369212714 179077524 /nfs/dbraw/zinc/07/75/24/179077524.db2.gz COOCAWAOUFCIHH-UONOGXRCSA-N 1 1 247.338 2.311 10 10 BECEMO Oc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000132761561 358736383 /nfs/dbraw/zinc/73/63/83/358736383.db2.gz RUDZBBYUMQICIX-GXTWGEPZSA-N 1 1 233.311 2.146 10 10 BECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCCO1 ZINC000158740181 183253927 /nfs/dbraw/zinc/25/39/27/183253927.db2.gz GELHKCNMTFDJHZ-LLVKDONJSA-N 1 1 239.290 2.190 10 10 BECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000158740069 183254407 /nfs/dbraw/zinc/25/44/07/183254407.db2.gz GELHKCNMTFDJHZ-NSHDSACASA-N 1 1 239.290 2.190 10 10 BECEMO Oc1c(F)cccc1C[NH2+]Cc1ccco1 ZINC000083351053 183255683 /nfs/dbraw/zinc/25/56/83/183255683.db2.gz VFKMINSJKDYKOX-UHFFFAOYSA-N 1 1 221.231 2.414 10 10 BECEMO Oc1ccccc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368528183 183300984 /nfs/dbraw/zinc/30/09/84/183300984.db2.gz OJGTULFRMMYFCY-QWHCGFSZSA-N 1 1 233.311 2.003 10 10 BECEMO C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000037909751 176108630 /nfs/dbraw/zinc/10/86/30/176108630.db2.gz MHLKREPMEZCVTI-LLVKDONJSA-N 1 1 247.342 2.082 10 10 BECEMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180069799 177260428 /nfs/dbraw/zinc/26/04/28/177260428.db2.gz QKYJWCHIZDCMAW-VIFPVBQESA-N 1 1 241.331 2.469 10 10 BECEMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCS1 ZINC000179569761 177266953 /nfs/dbraw/zinc/26/69/53/177266953.db2.gz JPXDIHHDZMMILU-JTQLQIEISA-N 1 1 223.341 2.330 10 10 BECEMO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000226617610 177331787 /nfs/dbraw/zinc/33/17/87/177331787.db2.gz ACONUDNYVZHPOD-ONGXEEELSA-N 1 1 239.290 2.188 10 10 BECEMO Oc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017235 588780214 /nfs/dbraw/zinc/78/02/14/588780214.db2.gz HRFGCPQFMNVOTH-UONOGXRCSA-N 1 1 246.354 2.109 10 10 BECEMO Oc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017235 588780215 /nfs/dbraw/zinc/78/02/15/588780215.db2.gz HRFGCPQFMNVOTH-UONOGXRCSA-N 1 1 246.354 2.109 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CCc1cccnc1 ZINC000161608778 633009754 /nfs/dbraw/zinc/00/97/54/633009754.db2.gz HHPRKRACPOOBFV-UHFFFAOYSA-N 1 1 246.285 2.259 10 10 BECEMO C[C@@]1(C[NH2+]Cc2cccc(F)c2O)CCCO1 ZINC000158810471 635754612 /nfs/dbraw/zinc/75/46/12/635754612.db2.gz IHNPWKJYFWFLAM-ZDUSSCGKSA-N 1 1 239.290 2.190 10 10 BECEMO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc(F)c1O ZINC000716855799 712578872 /nfs/dbraw/zinc/57/88/72/712578872.db2.gz XHMOCKVIHFZJDN-KOLCDFICSA-N 1 1 241.306 2.170 10 10 BECEMO Oc1c(F)cccc1C[NH2+][C@@H]1CC12CC2 ZINC000715256299 712514903 /nfs/dbraw/zinc/51/49/03/712514903.db2.gz OFRHMHZPNCTWKR-SNVBAGLBSA-N 1 1 207.248 2.173 10 10 BECEMO CC(C)(CCO)C[NH2+]Cc1cccc(F)c1O ZINC000226611985 187228255 /nfs/dbraw/zinc/22/82/55/187228255.db2.gz FCICNECGEJNCKT-UHFFFAOYSA-N 1 1 241.306 2.030 10 10 BECEMO CCC[N@@H+](C)CCCC(=O)Nc1ccc(N)cc1 ZINC000037097801 169074711 /nfs/dbraw/zinc/07/47/11/169074711.db2.gz PTLFNXDOICTOKA-UHFFFAOYSA-N 1 1 249.358 2.329 10 10 BECEMO CCC[N@@H+](C)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000020226114 169086637 /nfs/dbraw/zinc/08/66/37/169086637.db2.gz SGCZZZGSYZRFKP-AWEZNQCLSA-N 1 1 235.375 2.094 10 10 BECEMO CCCN(C)[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000020226114 169086638 /nfs/dbraw/zinc/08/66/38/169086638.db2.gz SGCZZZGSYZRFKP-AWEZNQCLSA-N 1 1 235.375 2.094 10 10 BECEMO CCC[N@@H+](Cc1ccc(N)cc1)[C@H]1CCOC1 ZINC000112392498 169175026 /nfs/dbraw/zinc/17/50/26/169175026.db2.gz FPCUDCNAODTIQT-AWEZNQCLSA-N 1 1 234.343 2.270 10 10 BECEMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000036789812 169364400 /nfs/dbraw/zinc/36/44/00/169364400.db2.gz ZDVVSLYOQURWSD-LLVKDONJSA-N 1 1 249.358 2.328 10 10 BECEMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000156017509 385429047 /nfs/dbraw/zinc/42/90/47/385429047.db2.gz MFYNENXEZGIUQM-CYBMUJFWSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000156017509 385429060 /nfs/dbraw/zinc/42/90/60/385429060.db2.gz MFYNENXEZGIUQM-CYBMUJFWSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000156017509 385429065 /nfs/dbraw/zinc/42/90/65/385429065.db2.gz MFYNENXEZGIUQM-CYBMUJFWSA-N 1 1 248.370 2.084 10 10 BECEMO CSC[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000163175350 388258246 /nfs/dbraw/zinc/25/82/46/388258246.db2.gz YIFMEXIYWPEURP-QMMMGPOBSA-N 1 1 229.320 2.372 10 10 BECEMO CC[N@@H+](CCc1ccc(N)cc1)[C@@H](C)COC ZINC000042738100 169873797 /nfs/dbraw/zinc/87/37/97/169873797.db2.gz HSJXEJAARQLPBV-LBPRGKRZSA-N 1 1 236.359 2.168 10 10 BECEMO COCCC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000037753931 174226030 /nfs/dbraw/zinc/22/60/30/174226030.db2.gz ZBLWGMODBJUTNB-UHFFFAOYSA-N 1 1 234.343 2.270 10 10 BECEMO C[C@@H]1CC[N@@H+](CCc2ccc(N)cc2)C1 ZINC000040716978 176170516 /nfs/dbraw/zinc/17/05/16/176170516.db2.gz LRUSWXQCAIFTIK-LLVKDONJSA-N 1 1 204.317 2.153 10 10 BECEMO C[C@H]1CCC[N@@H+](Cc2cc(N)ccc2O)C1 ZINC000037272161 177100457 /nfs/dbraw/zinc/10/04/57/177100457.db2.gz VFISIGZHXZIOOH-JTQLQIEISA-N 1 1 220.316 2.206 10 10 BECEMO COCC(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000135095475 591985844 /nfs/dbraw/zinc/98/58/44/591985844.db2.gz SIOGMMFYVLSNCE-UHFFFAOYSA-N 1 1 227.279 2.046 10 10 BECEMO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000163168747 636082280 /nfs/dbraw/zinc/08/22/80/636082280.db2.gz GDZRXPXWMJLRBA-WCBMZHEXSA-N 1 1 209.264 2.277 10 10 BECEMO COCC1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000713953521 712474691 /nfs/dbraw/zinc/47/46/91/712474691.db2.gz RBAFNZXNIAGCBL-UHFFFAOYSA-N 1 1 239.290 2.046 10 10 BECEMO CCO[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000701663436 712026949 /nfs/dbraw/zinc/02/69/49/712026949.db2.gz XWLNKAHITIFJEV-NSHDSACASA-N 1 1 239.290 2.142 10 10 BECEMO CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000701663436 712026950 /nfs/dbraw/zinc/02/69/50/712026950.db2.gz XWLNKAHITIFJEV-NSHDSACASA-N 1 1 239.290 2.142 10 10 BECEMO C[N@H+](CCCF)Cc1cccc(F)c1O ZINC000716625166 712568038 /nfs/dbraw/zinc/56/80/38/712568038.db2.gz AEROYZAJFZMGON-UHFFFAOYSA-N 1 1 215.243 2.323 10 10 BECEMO C[N@@H+](CCCF)Cc1cccc(F)c1O ZINC000716625166 712568039 /nfs/dbraw/zinc/56/80/39/712568039.db2.gz AEROYZAJFZMGON-UHFFFAOYSA-N 1 1 215.243 2.323 10 10 BECEMO CCC[C@@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000716831605 712577593 /nfs/dbraw/zinc/57/75/93/712577593.db2.gz UQKUXACRUNBEBN-NSHDSACASA-N 1 1 241.306 2.172 10 10 BECEMO Cc1cccc(C[N@@H+](C)C[C@H]2CCCO2)c1O ZINC000124529810 179066125 /nfs/dbraw/zinc/06/61/25/179066125.db2.gz UYUXAZAGYLDULB-CYBMUJFWSA-N 1 1 235.327 2.311 10 10 BECEMO [NH3+]C1(c2cccc(Br)c2O)CCC1 ZINC000096877774 181333449 /nfs/dbraw/zinc/33/34/49/181333449.db2.gz WQNFNKXRTLERLB-UHFFFAOYSA-N 1 1 242.116 2.493 10 10 BECEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCCO1 ZINC000158682732 384256745 /nfs/dbraw/zinc/25/67/45/384256745.db2.gz XZDYMRVGSCRTBO-BXKDBHETSA-N 1 1 239.290 2.188 10 10 BECEMO CC[C@](C)(CCO)[NH2+]Cc1cccc(F)c1O ZINC000226615512 386344034 /nfs/dbraw/zinc/34/40/34/386344034.db2.gz QDGAPPPDGDVJPB-CYBMUJFWSA-N 1 1 241.306 2.172 10 10 BECEMO Oc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228143682 387079748 /nfs/dbraw/zinc/07/97/48/387079748.db2.gz RUDZBBYUMQICIX-TZMCWYRMSA-N 1 1 233.311 2.146 10 10 BECEMO CS[C@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000163179227 388258288 /nfs/dbraw/zinc/25/82/88/388258288.db2.gz GXOAJNZJNYITPC-MRVPVSSYSA-N 1 1 229.320 2.372 10 10 BECEMO CC(C)C[N@@H+](C)CCc1ccc(O)c(O)c1 ZINC000039098601 166936690 /nfs/dbraw/zinc/93/66/90/166936690.db2.gz HTTWCTSEBXEPIN-UHFFFAOYSA-N 1 1 223.316 2.228 10 10 BECEMO C[C@@H]1CCCC[N@H+]1Cc1cc(N)ccc1O ZINC000037272027 176072706 /nfs/dbraw/zinc/07/27/06/176072706.db2.gz USRLMJHVRRZKJD-SNVBAGLBSA-N 1 1 220.316 2.349 10 10 BECEMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000022155991 177073538 /nfs/dbraw/zinc/07/35/38/177073538.db2.gz XCFFFTXLLSMPLU-NSHDSACASA-N 1 1 247.342 2.082 10 10 BECEMO Oc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017231 588780418 /nfs/dbraw/zinc/78/04/18/588780418.db2.gz HRFGCPQFMNVOTH-ZIAGYGMSSA-N 1 1 246.354 2.109 10 10 BECEMO Oc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017231 588780419 /nfs/dbraw/zinc/78/04/19/588780419.db2.gz HRFGCPQFMNVOTH-ZIAGYGMSSA-N 1 1 246.354 2.109 10 10 BECEMO COC[C@@H]([NH2+]Cc1cccc(F)c1O)C(C)C ZINC000158789668 632484925 /nfs/dbraw/zinc/48/49/25/632484925.db2.gz SFRHTHJGVOJKHL-GFCCVEGCSA-N 1 1 241.306 2.292 10 10 BECEMO CCCCOCC[NH2+]Cc1cccc(F)c1O ZINC000158731177 345371440 /nfs/dbraw/zinc/37/14/40/345371440.db2.gz FQPUNFYMBQMRGX-UHFFFAOYSA-N 1 1 241.306 2.438 10 10 BECEMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCO2)c1O ZINC000124529632 179065380 /nfs/dbraw/zinc/06/53/80/179065380.db2.gz UYUXAZAGYLDULB-ZDUSSCGKSA-N 1 1 235.327 2.311 10 10 BECEMO Cc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000124561292 179079764 /nfs/dbraw/zinc/07/97/64/179079764.db2.gz POIFVGYWXHJZBJ-UONOGXRCSA-N 1 1 247.338 2.454 10 10 BECEMO CC(C)[N@@H+](C)[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000039098584 188290960 /nfs/dbraw/zinc/29/09/60/188290960.db2.gz RFIAKLQKPPGTQQ-JTQLQIEISA-N 1 1 223.316 2.369 10 10 BECEMO C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000169006977 358009398 /nfs/dbraw/zinc/00/93/98/358009398.db2.gz JAJDDCZVQADUGU-ZCFIWIBFSA-N 1 1 230.105 2.435 10 10 BECEMO C[C@H](CO)CCC[NH2+]Cc1cccc(F)c1O ZINC000226618445 386348630 /nfs/dbraw/zinc/34/86/30/386348630.db2.gz HGEURHBJZMZDRQ-JTQLQIEISA-N 1 1 241.306 2.030 10 10 BECEMO CCN(CC)c1ccc([C@@H](CN)[NH+](C)C)cc1 ZINC000039789106 388410713 /nfs/dbraw/zinc/41/07/13/388410713.db2.gz VHVVIKIIYGVKII-CQSZACIVSA-N 1 1 235.375 2.094 10 10 BECEMO C[C@@H]1CCC[N@H+]1CCOc1ccc(N)cc1 ZINC000037909939 176108112 /nfs/dbraw/zinc/10/81/12/176108112.db2.gz GHFUBXZWGADDDU-LLVKDONJSA-N 1 1 220.316 2.132 10 10 BECEMO Oc1c(F)cccc1C[NH2+]Cc1ccoc1 ZINC000163169566 633049767 /nfs/dbraw/zinc/04/97/67/633049767.db2.gz QRGZLIDHRXKNTR-UHFFFAOYSA-N 1 1 221.231 2.414 10 10 BECEMO COCC[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165167138 640545240 /nfs/dbraw/zinc/54/52/40/640545240.db2.gz MMGQHWKHPOHMPU-VIFPVBQESA-N 1 1 227.279 2.046 10 10 BECEMO CC1(C)COC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000313031241 641529043 /nfs/dbraw/zinc/52/90/43/641529043.db2.gz YDFWCCYQWYZVBY-NSHDSACASA-N 1 1 239.290 2.046 10 10 BECEMO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc(F)c1O ZINC000716855801 712578769 /nfs/dbraw/zinc/57/87/69/712578769.db2.gz XHMOCKVIHFZJDN-MWLCHTKSSA-N 1 1 241.306 2.170 10 10 BECEMO CC[N@H+]1CCC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000033829010 343261612 /nfs/dbraw/zinc/26/16/12/343261612.db2.gz XCSXGGLIBPCJQU-LLVKDONJSA-N 1 1 221.300 2.297 10 10 BECEMO CC(C)[N@@H+](C)CCCC(=O)Nc1ccc(N)cc1 ZINC000019255678 187252041 /nfs/dbraw/zinc/25/20/41/187252041.db2.gz CLKBDYNAZALUPY-UHFFFAOYSA-N 1 1 249.358 2.328 10 10 BECEMO Cc1[nH+]ccn1CCc1ccc(N)cc1 ZINC000035677212 180262764 /nfs/dbraw/zinc/26/27/64/180262764.db2.gz KEOONUPZLWAYBC-UHFFFAOYSA-N 1 1 201.273 2.016 10 10 BECEMO C[N@H+]1CCC[C@@H]1CCNc1ccc(N)cc1 ZINC000219098111 355319906 /nfs/dbraw/zinc/31/99/06/355319906.db2.gz QILIVLSPLORNIQ-CYBMUJFWSA-N 1 1 219.332 2.165 10 10 BECEMO CCC[N@@H+](C)[C@H](CN)c1ccc(N(C)C)cc1 ZINC000020226115 169085677 /nfs/dbraw/zinc/08/56/77/169085677.db2.gz SGCZZZGSYZRFKP-CQSZACIVSA-N 1 1 235.375 2.094 10 10 BECEMO CCCN(C)[C@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000020226115 169085678 /nfs/dbraw/zinc/08/56/78/169085678.db2.gz SGCZZZGSYZRFKP-CQSZACIVSA-N 1 1 235.375 2.094 10 10 BECEMO CCC[N@H+]1CC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000005833927 169206521 /nfs/dbraw/zinc/20/65/21/169206521.db2.gz BQPLSMZHGSFVSL-LLVKDONJSA-N 1 1 221.300 2.297 10 10 BECEMO CC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1O ZINC000132479051 384233922 /nfs/dbraw/zinc/23/39/22/384233922.db2.gz IWUNWNFDMJTAGU-UHFFFAOYSA-N 1 1 243.734 2.168 10 10 BECEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCCO1 ZINC000158682474 384257570 /nfs/dbraw/zinc/25/75/70/384257570.db2.gz XZDYMRVGSCRTBO-SKDRFNHKSA-N 1 1 239.290 2.188 10 10 BECEMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(N)ccc1O ZINC000036786387 167367797 /nfs/dbraw/zinc/36/77/97/167367797.db2.gz OBXXMQQYEMYNCJ-SNVBAGLBSA-N 1 1 222.332 2.451 10 10 BECEMO C[N@H+]1CCC[C@@H]1CCOc1ccc(N)cc1 ZINC000040240444 173026943 /nfs/dbraw/zinc/02/69/43/173026943.db2.gz NGXYSXVDVQRSHD-GFCCVEGCSA-N 1 1 220.316 2.132 10 10 BECEMO CSCCC[NH2+]Cc1cccc(F)c1O ZINC000165164833 175486427 /nfs/dbraw/zinc/48/64/27/175486427.db2.gz KDEFGDGVYPYHAT-UHFFFAOYSA-N 1 1 229.320 2.374 10 10 BECEMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000226617603 176377294 /nfs/dbraw/zinc/37/72/94/176377294.db2.gz ACONUDNYVZHPOD-KOLCDFICSA-N 1 1 239.290 2.188 10 10 BECEMO CC(C)(C)OCC[NH2+]Cc1cccc(F)c1O ZINC000308748342 631564831 /nfs/dbraw/zinc/56/48/31/631564831.db2.gz SMXNZYWCAKNSND-UHFFFAOYSA-N 1 1 241.306 2.436 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CCc1ccncc1 ZINC000161608914 632102710 /nfs/dbraw/zinc/10/27/10/632102710.db2.gz RUDUYTDALTXEEX-UHFFFAOYSA-N 1 1 246.285 2.259 10 10 BECEMO COCC[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000165167246 633087675 /nfs/dbraw/zinc/08/76/75/633087675.db2.gz MMGQHWKHPOHMPU-SECBINFHSA-N 1 1 227.279 2.046 10 10 BECEMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N(C)C)C2)c1 ZINC000164281578 644168136 /nfs/dbraw/zinc/16/81/36/644168136.db2.gz QQOKSCGAJYHFNZ-AWEZNQCLSA-N 1 1 248.370 2.145 10 10 BECEMO Cc1cc(C)c(O)c(CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000164281578 644168143 /nfs/dbraw/zinc/16/81/43/644168143.db2.gz QQOKSCGAJYHFNZ-AWEZNQCLSA-N 1 1 248.370 2.145 10 10 BECEMO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000720155337 712828077 /nfs/dbraw/zinc/82/80/77/712828077.db2.gz FGOHUVGNTIGKCO-VIFPVBQESA-N 1 1 241.306 2.434 10 10 BECEMO CCOC[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146333310 342767739 /nfs/dbraw/zinc/76/77/39/342767739.db2.gz RYJLSTPBGYAOFV-AWEZNQCLSA-N 1 1 234.343 2.270 10 10 BECEMO COC[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000234798757 343794874 /nfs/dbraw/zinc/79/48/74/343794874.db2.gz WGHFAYOXZZSSCP-LLVKDONJSA-N 1 1 220.316 2.132 10 10 BECEMO COC[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000234798757 343794876 /nfs/dbraw/zinc/79/48/76/343794876.db2.gz WGHFAYOXZZSSCP-LLVKDONJSA-N 1 1 220.316 2.132 10 10 BECEMO CCC[C@H]1C[N@@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409434425 343831654 /nfs/dbraw/zinc/83/16/54/343831654.db2.gz PDCHSBOFFCIHEA-FZMZJTMJSA-N 1 1 234.343 2.256 10 10 BECEMO CCC[C@H]1C[N@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409434425 343831655 /nfs/dbraw/zinc/83/16/55/343831655.db2.gz PDCHSBOFFCIHEA-FZMZJTMJSA-N 1 1 234.343 2.256 10 10 BECEMO CCC[C@H]1C[N@@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409434427 343831657 /nfs/dbraw/zinc/83/16/57/343831657.db2.gz PDCHSBOFFCIHEA-SMDDNHRTSA-N 1 1 234.343 2.256 10 10 BECEMO CCC[C@H]1C[N@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409434427 343831658 /nfs/dbraw/zinc/83/16/58/343831658.db2.gz PDCHSBOFFCIHEA-SMDDNHRTSA-N 1 1 234.343 2.256 10 10 BECEMO CC(C)(O)C1CC[NH+](c2ccc(N)cc2)CC1 ZINC000143408845 345865177 /nfs/dbraw/zinc/86/51/77/345865177.db2.gz IUGXTASYXORCDY-UHFFFAOYSA-N 1 1 234.343 2.256 10 10 BECEMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1O ZINC000160191888 179084313 /nfs/dbraw/zinc/08/43/13/179084313.db2.gz RHNPZSVRRYSPRG-TZMCWYRMSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1cccc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000160191888 179084317 /nfs/dbraw/zinc/08/43/17/179084317.db2.gz RHNPZSVRRYSPRG-TZMCWYRMSA-N 1 1 248.370 2.083 10 10 BECEMO OCCCCCC[NH2+]Cc1cccc(F)c1O ZINC000083369417 183043080 /nfs/dbraw/zinc/04/30/80/183043080.db2.gz UEXSRXFDIVXHDO-UHFFFAOYSA-N 1 1 241.306 2.174 10 10 BECEMO CCC[N@H+]1CC[C@H](c2ccc(O)c(O)c2)C1 ZINC000005833915 169208155 /nfs/dbraw/zinc/20/81/55/169208155.db2.gz BQPLSMZHGSFVSL-NSHDSACASA-N 1 1 221.300 2.297 10 10 BECEMO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(F)cc1O ZINC000134244375 384343876 /nfs/dbraw/zinc/34/38/76/384343876.db2.gz LQJIWESCDUDXCT-SBMIAAHKSA-N 1 1 239.290 2.359 10 10 BECEMO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000109546025 385173878 /nfs/dbraw/zinc/17/38/78/385173878.db2.gz QBICLXFCBCYULK-GXSJLCMTSA-N 1 1 239.290 2.361 10 10 BECEMO C[C@@H](CO)CCC[NH2+]Cc1cccc(F)c1O ZINC000226618442 386348222 /nfs/dbraw/zinc/34/82/22/386348222.db2.gz HGEURHBJZMZDRQ-SNVBAGLBSA-N 1 1 241.306 2.030 10 10 BECEMO CCc1[nH+]ccn1Cc1ccc(N)cc1 ZINC000048821331 172026864 /nfs/dbraw/zinc/02/68/64/172026864.db2.gz FAAKOPZENZDJSA-UHFFFAOYSA-N 1 1 201.273 2.076 10 10 BECEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(N)cc1 ZINC000044563526 173005899 /nfs/dbraw/zinc/00/58/99/173005899.db2.gz KJCYTTKLRMCLMU-CYBMUJFWSA-N 1 1 219.332 2.165 10 10 BECEMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)cc1 ZINC000044563528 173009279 /nfs/dbraw/zinc/00/92/79/173009279.db2.gz KJCYTTKLRMCLMU-ZDUSSCGKSA-N 1 1 219.332 2.165 10 10 BECEMO C[N@H+]1CC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000042545204 173125405 /nfs/dbraw/zinc/12/54/05/173125405.db2.gz UTKOAOOZBVKKAX-MRVPVSSYSA-N 1 1 225.723 2.038 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CCCCF ZINC000308977772 631782330 /nfs/dbraw/zinc/78/23/30/631782330.db2.gz JCGAHXXWNFIHLV-UHFFFAOYSA-N 1 1 215.243 2.371 10 10 BECEMO CCC[C@H]([NH3+])c1cc(F)cc(F)c1O ZINC000238244898 632075941 /nfs/dbraw/zinc/07/59/41/632075941.db2.gz RPVUAIORJVCMCL-VIFPVBQESA-N 1 1 201.216 2.470 10 10 BECEMO COC1CC([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000230673191 641079584 /nfs/dbraw/zinc/07/95/84/641079584.db2.gz FTAUZNQHTQEXGB-MFAVDMRSSA-N 1 1 239.290 2.359 10 10 BECEMO CC(C)[C@H]([NH3+])c1cc(F)cc(F)c1O ZINC000238172167 642791867 /nfs/dbraw/zinc/79/18/67/642791867.db2.gz XRBHBTILUBARAH-VIFPVBQESA-N 1 1 201.216 2.326 10 10 BECEMO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000714443795 712489430 /nfs/dbraw/zinc/48/94/30/712489430.db2.gz RBAFNZXNIAGCBL-JGZJWPJOSA-N 1 1 239.290 2.046 10 10 BECEMO Oc1c(F)cccc1C[NH2+][C@H]1CC12CC2 ZINC000715256298 712514970 /nfs/dbraw/zinc/51/49/70/712514970.db2.gz OFRHMHZPNCTWKR-JTQLQIEISA-N 1 1 207.248 2.173 10 10 BECEMO C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000169006880 358009115 /nfs/dbraw/zinc/00/91/15/358009115.db2.gz JAJDDCZVQADUGU-LURJTMIESA-N 1 1 230.105 2.435 10 10 BECEMO CCC[N@@H+](C)[C@@H]1CCc2c(O)c(O)ccc2C1 ZINC000095913214 169087251 /nfs/dbraw/zinc/08/72/51/169087251.db2.gz PGJVWCCOINQJTB-LLVKDONJSA-N 1 1 235.327 2.297 10 10 BECEMO CCC[N@@H+](C)[C@H]1CCc2cc(O)c(O)cc2C1 ZINC000006380222 169088575 /nfs/dbraw/zinc/08/85/75/169088575.db2.gz HFZBRDRTJMQKHA-LBPRGKRZSA-N 1 1 235.327 2.297 10 10 BECEMO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(F)cc1O ZINC000134244359 384342564 /nfs/dbraw/zinc/34/25/64/384342564.db2.gz LQJIWESCDUDXCT-HOTUBEGUSA-N 1 1 239.290 2.359 10 10 BECEMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](N(C)C)C2)c1 ZINC000131460863 385338412 /nfs/dbraw/zinc/33/84/12/385338412.db2.gz UZMDIQFLHZXZGU-GXTWGEPZSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1ccc(O)c(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000131460863 385338416 /nfs/dbraw/zinc/33/84/16/385338416.db2.gz UZMDIQFLHZXZGU-GXTWGEPZSA-N 1 1 248.370 2.083 10 10 BECEMO [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)ccc1[O-] ZINC000575439198 388627171 /nfs/dbraw/zinc/62/71/71/388627171.db2.gz XTWGCWNRDKKHHQ-SNVBAGLBSA-N 1 1 228.723 2.174 10 10 BECEMO Oc1ccccc1C[N@H+]1CCCN(C2CC2)CC1 ZINC000180015184 134325886 /nfs/dbraw/zinc/32/58/86/134325886.db2.gz QDZMYFJBSCXUBO-UHFFFAOYSA-N 1 1 246.354 2.062 10 10 BECEMO Oc1ccccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000180015184 134325887 /nfs/dbraw/zinc/32/58/87/134325887.db2.gz QDZMYFJBSCXUBO-UHFFFAOYSA-N 1 1 246.354 2.062 10 10 BECEMO Oc1ccccc1CN1CCC[N@H+](C2CC2)CC1 ZINC000180015184 134325888 /nfs/dbraw/zinc/32/58/88/134325888.db2.gz QDZMYFJBSCXUBO-UHFFFAOYSA-N 1 1 246.354 2.062 10 10 BECEMO CC(C)OCCC[NH2+]Cc1cccc(F)c1O ZINC000083369424 167223953 /nfs/dbraw/zinc/22/39/53/167223953.db2.gz ZAWWCAYXENAHER-UHFFFAOYSA-N 1 1 241.306 2.436 10 10 BECEMO CC1([NH2+]Cc2cccc(F)c2O)CCOCC1 ZINC000166141177 168064707 /nfs/dbraw/zinc/06/47/07/168064707.db2.gz AFTVETOUAKVSKE-UHFFFAOYSA-N 1 1 239.290 2.190 10 10 BECEMO C[N@H+]1CCC[C@H](CNc2ccc(N)cc2)C1 ZINC000044535317 173042315 /nfs/dbraw/zinc/04/23/15/173042315.db2.gz DPUGCSWTTZCKHP-LLVKDONJSA-N 1 1 219.332 2.023 10 10 BECEMO COc1ccc(C[NH2+]C(C)C)cc1CN(C)C ZINC000045206452 175105354 /nfs/dbraw/zinc/10/53/54/175105354.db2.gz XDTZASNDKIXGOJ-UHFFFAOYSA-N 1 1 236.359 2.255 10 10 BECEMO C[C@@H]1CCC[N@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037910261 176109818 /nfs/dbraw/zinc/10/98/18/176109818.db2.gz STYIDRPZDOTZHU-DOMZBBRYSA-N 1 1 247.386 2.237 10 10 BECEMO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000037910261 176109820 /nfs/dbraw/zinc/10/98/20/176109820.db2.gz STYIDRPZDOTZHU-DOMZBBRYSA-N 1 1 247.386 2.237 10 10 BECEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000245847029 177280715 /nfs/dbraw/zinc/28/07/15/177280715.db2.gz CIRLETGMTNOXEE-JSGCOSHPSA-N 1 1 246.354 2.061 10 10 BECEMO Cc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1O ZINC000154657975 642173287 /nfs/dbraw/zinc/17/32/87/642173287.db2.gz GBPWHVAWMATYFW-CYBMUJFWSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1O ZINC000154657975 642173300 /nfs/dbraw/zinc/17/33/00/642173300.db2.gz GBPWHVAWMATYFW-CYBMUJFWSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C)C2)c1O ZINC000154657975 642173304 /nfs/dbraw/zinc/17/33/04/642173304.db2.gz GBPWHVAWMATYFW-CYBMUJFWSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c1O ZINC000154658098 642174160 /nfs/dbraw/zinc/17/41/60/642174160.db2.gz GBPWHVAWMATYFW-ZDUSSCGKSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C)C2)c1O ZINC000154658098 642174165 /nfs/dbraw/zinc/17/41/65/642174165.db2.gz GBPWHVAWMATYFW-ZDUSSCGKSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C)C2)c1O ZINC000154658098 642174167 /nfs/dbraw/zinc/17/41/67/642174167.db2.gz GBPWHVAWMATYFW-ZDUSSCGKSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N(C)C)C2)c1 ZINC000164281700 644167601 /nfs/dbraw/zinc/16/76/01/644167601.db2.gz QQOKSCGAJYHFNZ-CQSZACIVSA-N 1 1 248.370 2.145 10 10 BECEMO Cc1cc(C)c(O)c(CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000164281700 644167606 /nfs/dbraw/zinc/16/76/06/644167606.db2.gz QQOKSCGAJYHFNZ-CQSZACIVSA-N 1 1 248.370 2.145 10 10 BECEMO C[C@H](F)CC[NH2+]Cc1cccc(F)c1O ZINC000705683677 712134294 /nfs/dbraw/zinc/13/42/94/712134294.db2.gz ASLHEYPYTDVECK-QMMMGPOBSA-N 1 1 215.243 2.369 10 10 BECEMO CC[N@H+]1CCC[C@H](c2ccc(O)c(O)c2)C1 ZINC000033829008 343261507 /nfs/dbraw/zinc/26/15/07/343261507.db2.gz XCSXGGLIBPCJQU-NSHDSACASA-N 1 1 221.300 2.297 10 10 BECEMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)cc1O ZINC000134244344 384344062 /nfs/dbraw/zinc/34/40/62/384344062.db2.gz LQJIWESCDUDXCT-YGOYTEALSA-N 1 1 239.290 2.359 10 10 BECEMO CC1=CC[N@@H+](CCOc2ccc(N)cc2)CC1 ZINC000075423288 168113242 /nfs/dbraw/zinc/11/32/42/168113242.db2.gz UMKFQMHVNFKHAI-UHFFFAOYSA-N 1 1 232.327 2.300 10 10 BECEMO C[N@H+]1CC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000042545202 173154054 /nfs/dbraw/zinc/15/40/54/173154054.db2.gz UTKOAOOZBVKKAX-QMMMGPOBSA-N 1 1 225.723 2.038 10 10 BECEMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000022155988 176069350 /nfs/dbraw/zinc/06/93/50/176069350.db2.gz XCFFFTXLLSMPLU-LLVKDONJSA-N 1 1 247.342 2.082 10 10 BECEMO C[C@@H]1CCC[N@H+]1CCc1ccc(N)cc1 ZINC000037909995 176109259 /nfs/dbraw/zinc/10/92/59/176109259.db2.gz IHMOPGZWSJSUFU-LLVKDONJSA-N 1 1 204.317 2.296 10 10 BECEMO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(F)cc1O ZINC000134244397 176924935 /nfs/dbraw/zinc/92/49/35/176924935.db2.gz LQJIWESCDUDXCT-AUTRQRHGSA-N 1 1 239.290 2.359 10 10 BECEMO C[C@H]1CCC[N@H+]1CCOc1ccc(N)cc1 ZINC000037909940 177109300 /nfs/dbraw/zinc/10/93/00/177109300.db2.gz GHFUBXZWGADDDU-NSHDSACASA-N 1 1 220.316 2.132 10 10 BECEMO CCC[C@@H]([NH3+])c1cc(F)cc(F)c1O ZINC000238232191 642800892 /nfs/dbraw/zinc/80/08/92/642800892.db2.gz RPVUAIORJVCMCL-SECBINFHSA-N 1 1 201.216 2.470 10 10 BECEMO CC(C)[C@@H]([NH3+])c1cc(F)cc(F)c1O ZINC000238791539 642837681 /nfs/dbraw/zinc/83/76/81/642837681.db2.gz XRBHBTILUBARAH-SECBINFHSA-N 1 1 201.216 2.326 10 10 BECEMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711494280 712306339 /nfs/dbraw/zinc/30/63/39/712306339.db2.gz YUZXXWPMDFKSAD-SECBINFHSA-N 1 1 227.254 2.323 10 10 BECEMO Oc1c(F)cccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711494280 712306340 /nfs/dbraw/zinc/30/63/40/712306340.db2.gz YUZXXWPMDFKSAD-SECBINFHSA-N 1 1 227.254 2.323 10 10 BECEMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)C)C2)cc1C ZINC000170843143 178195395 /nfs/dbraw/zinc/19/53/95/178195395.db2.gz PZQQESFCGBCVPY-CQSZACIVSA-N 1 1 248.370 2.145 10 10 BECEMO Cc1cc(O)c(CN2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000170843143 178195396 /nfs/dbraw/zinc/19/53/96/178195396.db2.gz PZQQESFCGBCVPY-CQSZACIVSA-N 1 1 248.370 2.145 10 10 BECEMO CCC(CC)[N@@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000036788476 168367291 /nfs/dbraw/zinc/36/72/91/168367291.db2.gz QKAUKLPUCNLFHU-UHFFFAOYSA-N 1 1 249.358 2.328 10 10 BECEMO CO[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146525288 342770406 /nfs/dbraw/zinc/77/04/06/342770406.db2.gz GEGHEJOSZOWZLU-RISCZKNCSA-N 1 1 234.343 2.268 10 10 BECEMO CCC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCOC1 ZINC000112392497 169176413 /nfs/dbraw/zinc/17/64/13/169176413.db2.gz FPCUDCNAODTIQT-CQSZACIVSA-N 1 1 234.343 2.270 10 10 BECEMO C[C@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCCO1 ZINC000158682344 384257589 /nfs/dbraw/zinc/25/75/89/384257589.db2.gz XZDYMRVGSCRTBO-CABZTGNLSA-N 1 1 239.290 2.188 10 10 BECEMO CO[C@@H](C[NH2+]Cc1cccc(F)c1O)C(C)C ZINC000272360400 385428250 /nfs/dbraw/zinc/42/82/50/385428250.db2.gz FFITWOKENGUCEC-LBPRGKRZSA-N 1 1 241.306 2.292 10 10 BECEMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1 ZINC000217747021 385890897 /nfs/dbraw/zinc/89/08/97/385890897.db2.gz UZMDIQFLHZXZGU-OCCSQVGLSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1ccc(O)c(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000217747021 385890898 /nfs/dbraw/zinc/89/08/98/385890898.db2.gz UZMDIQFLHZXZGU-OCCSQVGLSA-N 1 1 248.370 2.083 10 10 BECEMO CSC[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000163175467 388258154 /nfs/dbraw/zinc/25/81/54/388258154.db2.gz YIFMEXIYWPEURP-MRVPVSSYSA-N 1 1 229.320 2.372 10 10 BECEMO CC(C)[C@@H](CCO)[NH2+]Cc1cccc(F)c1O ZINC000226611762 167393843 /nfs/dbraw/zinc/39/38/43/167393843.db2.gz MXUZXZKFTZNPGN-GFCCVEGCSA-N 1 1 241.306 2.028 10 10 BECEMO CC[N@@H+](CCc1ccc(N)cc1)[C@H](C)COC ZINC000042738103 169873799 /nfs/dbraw/zinc/87/37/99/169873799.db2.gz HSJXEJAARQLPBV-GFCCVEGCSA-N 1 1 236.359 2.168 10 10 BECEMO CC[N@H+]1CCc2cc(O)c(O)cc2C1(C)C ZINC000014722976 170024200 /nfs/dbraw/zinc/02/42/00/170024200.db2.gz PEZHTRGMGFXRCH-UHFFFAOYSA-N 1 1 221.300 2.211 10 10 biogenic,in-vitro BECEMO C[N@@H+](Cc1cc(N)ccc1O)C1CCCC1 ZINC000037273262 172841981 /nfs/dbraw/zinc/84/19/81/172841981.db2.gz OYWDWIZCKPLXGY-UHFFFAOYSA-N 1 1 220.316 2.349 10 10 BECEMO C[C@@H](c1ccc(N(C)C)cc1)N1CCC([NH3+])CC1 ZINC000037902606 176016084 /nfs/dbraw/zinc/01/60/84/176016084.db2.gz UPQWZYKDCAVFCT-LBPRGKRZSA-N 1 1 247.386 2.237 10 10 BECEMO C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000037909752 177109006 /nfs/dbraw/zinc/10/90/06/177109006.db2.gz MHLKREPMEZCVTI-NSHDSACASA-N 1 1 247.342 2.082 10 10 BECEMO C[C@H]1CCC[N@H+]1CCc1ccc(N)cc1 ZINC000037909996 177109059 /nfs/dbraw/zinc/10/90/59/177109059.db2.gz IHMOPGZWSJSUFU-NSHDSACASA-N 1 1 204.317 2.296 10 10 BECEMO Cc1cc(Br)c(O)c([C@@H](C)[NH3+])c1 ZINC000024863157 591273960 /nfs/dbraw/zinc/27/39/60/591273960.db2.gz OCUNYYHZQCQDIR-ZCFIWIBFSA-N 1 1 230.105 2.483 10 10 BECEMO C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000163168859 636081887 /nfs/dbraw/zinc/08/18/87/636081887.db2.gz GDZRXPXWMJLRBA-SCZZXKLOSA-N 1 1 209.264 2.277 10 10 BECEMO C[C@@H](O)[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309932866 633955029 /nfs/dbraw/zinc/95/50/29/633955029.db2.gz YTYCBNKGIYGPFP-RNFRBKRXSA-N 1 1 247.697 2.044 10 10 BECEMO CC1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000226613640 640780042 /nfs/dbraw/zinc/78/00/42/640780042.db2.gz FYQRZXCAHXQRBZ-UHFFFAOYSA-N 1 1 209.264 2.421 10 10 BECEMO C[C@]1(C[NH2+]Cc2cccc(F)c2O)CCCO1 ZINC000158810346 641653171 /nfs/dbraw/zinc/65/31/71/641653171.db2.gz IHNPWKJYFWFLAM-CYBMUJFWSA-N 1 1 239.290 2.190 10 10 BECEMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CN)c1 ZINC000071409472 643143515 /nfs/dbraw/zinc/14/35/15/643143515.db2.gz FUDXUVUURRVYFV-ZDUSSCGKSA-N 1 1 234.343 2.014 10 10 BECEMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CN)c1 ZINC000071409472 643143518 /nfs/dbraw/zinc/14/35/18/643143518.db2.gz FUDXUVUURRVYFV-ZDUSSCGKSA-N 1 1 234.343 2.014 10 10 BECEMO C[C@@H](F)CC[NH2+]Cc1cccc(F)c1O ZINC000705683673 712134056 /nfs/dbraw/zinc/13/40/56/712134056.db2.gz ASLHEYPYTDVECK-MRVPVSSYSA-N 1 1 215.243 2.369 10 10 BECEMO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc(F)c1O ZINC000716855804 712578902 /nfs/dbraw/zinc/57/89/02/712578902.db2.gz XHMOCKVIHFZJDN-ONGXEEELSA-N 1 1 241.306 2.170 10 10 BECEMO Nc1ccc([NH+]2CCC(CCCO)CC2)cc1 ZINC000145135945 342760900 /nfs/dbraw/zinc/76/09/00/342760900.db2.gz RHMVAEDRHIPTGQ-UHFFFAOYSA-N 1 1 234.343 2.258 10 10 BECEMO CCC[C@@H]1C[N@@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409434426 343831594 /nfs/dbraw/zinc/83/15/94/343831594.db2.gz PDCHSBOFFCIHEA-RISCZKNCSA-N 1 1 234.343 2.256 10 10 BECEMO CCC[C@@H]1C[N@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409434426 343831595 /nfs/dbraw/zinc/83/15/95/343831595.db2.gz PDCHSBOFFCIHEA-RISCZKNCSA-N 1 1 234.343 2.256 10 10 BECEMO COC[C@@H]1C[N@@H+](c2ccc(N)cc2)CC1(C)C ZINC000409429678 350476989 /nfs/dbraw/zinc/47/69/89/350476989.db2.gz HVHKPZQOQCVQJI-NSHDSACASA-N 1 1 234.343 2.378 10 10 BECEMO COC[C@@H]1C[N@H+](c2ccc(N)cc2)CC1(C)C ZINC000409429678 350476992 /nfs/dbraw/zinc/47/69/92/350476992.db2.gz HVHKPZQOQCVQJI-NSHDSACASA-N 1 1 234.343 2.378 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CCC1CC1 ZINC000165168390 183254428 /nfs/dbraw/zinc/25/44/28/183254428.db2.gz OKEINGDHYKNXQV-UHFFFAOYSA-N 1 1 209.264 2.421 10 10 BECEMO Cc1cccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000228174774 387080626 /nfs/dbraw/zinc/08/06/26/387080626.db2.gz POIFVGYWXHJZBJ-KGLIPLIRSA-N 1 1 247.338 2.454 10 10 BECEMO C[N@H+]1CCC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000040715835 173021302 /nfs/dbraw/zinc/02/13/02/173021302.db2.gz LBRVHTUQPJRASG-SECBINFHSA-N 1 1 239.750 2.428 10 10 BECEMO COCCCCC[NH2+]Cc1cccc(F)c1O ZINC000226588139 174183391 /nfs/dbraw/zinc/18/33/91/174183391.db2.gz MQWVQCNNCDDCBD-UHFFFAOYSA-N 1 1 241.306 2.438 10 10 BECEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(N)ccc2O)C1 ZINC000037272592 177314598 /nfs/dbraw/zinc/31/45/98/177314598.db2.gz PWTLQNHNEFZUCA-PHIMTYICSA-N 1 1 234.343 2.452 10 10 BECEMO COC(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000133932719 591871133 /nfs/dbraw/zinc/87/11/33/591871133.db2.gz CNOOTAHCPNYDMT-UHFFFAOYSA-N 1 1 227.279 2.046 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000158730280 632483872 /nfs/dbraw/zinc/48/38/72/632483872.db2.gz GJEVXHCDBXZNKC-NSHDSACASA-N 1 1 239.290 2.190 10 10 BECEMO C[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310989615 634195170 /nfs/dbraw/zinc/19/51/70/634195170.db2.gz HMPFHCDUWRRHGY-LALPHHSUSA-N 1 1 248.370 2.370 10 10 BECEMO C[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310989615 634195194 /nfs/dbraw/zinc/19/51/94/634195194.db2.gz HMPFHCDUWRRHGY-LALPHHSUSA-N 1 1 248.370 2.370 10 10 BECEMO CC[N@@H+](c1ccc(N)cc1)C1CCOCC1 ZINC000068955538 345778011 /nfs/dbraw/zinc/77/80/11/345778011.db2.gz DESIAFZSBXKACD-UHFFFAOYSA-N 1 1 220.316 2.274 10 10 BECEMO CC[N@H+](c1ccc(N)cc1)C1CCOCC1 ZINC000068955538 345778017 /nfs/dbraw/zinc/77/80/17/345778017.db2.gz DESIAFZSBXKACD-UHFFFAOYSA-N 1 1 220.316 2.274 10 10 BECEMO Nc1ccc(/N=N/c2cccnc2)c(N)[nH+]1 ZINC000096662621 346165412 /nfs/dbraw/zinc/16/54/12/346165412.db2.gz OXEIXRNCCWLEFR-FOCLMDBBSA-N 1 1 214.232 2.056 10 10 BECEMO C[N@H+]1CCC[C@H]1CCNc1ccc(N)cc1 ZINC000219098176 355319628 /nfs/dbraw/zinc/31/96/28/355319628.db2.gz QILIVLSPLORNIQ-ZDUSSCGKSA-N 1 1 219.332 2.165 10 10 BECEMO CCN(CC)[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000032497023 355410562 /nfs/dbraw/zinc/41/05/62/355410562.db2.gz HHFZCYTXYQCNGD-AWEZNQCLSA-N 1 1 235.375 2.094 10 10 BECEMO CCC[N@@H+](CC)CCc1ccc(O)c(O)c1 ZINC000039098595 169122139 /nfs/dbraw/zinc/12/21/39/169122139.db2.gz XJJBARIDHLONCR-UHFFFAOYSA-N 1 1 223.316 2.372 10 10 BECEMO Oc1c(F)cccc1C[NH2+]Cc1cccnc1 ZINC000083358637 183255892 /nfs/dbraw/zinc/25/58/92/183255892.db2.gz VDKCBPFJQINPKT-UHFFFAOYSA-N 1 1 232.258 2.216 10 10 BECEMO CC[C@H](COC)[NH2+]Cc1cccc(F)c1O ZINC000165166144 385076011 /nfs/dbraw/zinc/07/60/11/385076011.db2.gz COASGGLTZLMQDZ-SNVBAGLBSA-N 1 1 227.279 2.046 10 10 BECEMO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000109546028 385174384 /nfs/dbraw/zinc/17/43/84/385174384.db2.gz QBICLXFCBCYULK-MWLCHTKSSA-N 1 1 239.290 2.361 10 10 BECEMO CO[C@H](C[NH2+]Cc1cccc(F)c1O)C(C)C ZINC000272360397 385429572 /nfs/dbraw/zinc/42/95/72/385429572.db2.gz FFITWOKENGUCEC-GFCCVEGCSA-N 1 1 241.306 2.292 10 10 BECEMO Nc1ccc([N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000022164224 132332389 /nfs/dbraw/zinc/33/23/89/132332389.db2.gz JUJVNTRWJQHLEI-LBPRGKRZSA-N 1 1 220.316 2.010 10 10 BECEMO Nc1ccc([N@H+]2CCCC[C@H]2CCO)cc1 ZINC000022164224 132332390 /nfs/dbraw/zinc/33/23/90/132332390.db2.gz JUJVNTRWJQHLEI-LBPRGKRZSA-N 1 1 220.316 2.010 10 10 BECEMO CC1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000163177678 168147181 /nfs/dbraw/zinc/14/71/81/168147181.db2.gz WIDUXIUMSXNPGD-UHFFFAOYSA-N 1 1 209.264 2.419 10 10 BECEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCc1ccc(N)cc1 ZINC000036798082 171110041 /nfs/dbraw/zinc/11/00/41/171110041.db2.gz NIDLPJLRJSQAPL-SWLSCSKDSA-N 1 1 248.370 2.311 10 10 BECEMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCc1ccc(N)cc1 ZINC000036798079 171111459 /nfs/dbraw/zinc/11/14/59/171111459.db2.gz NIDLPJLRJSQAPL-IUODEOHRSA-N 1 1 248.370 2.311 10 10 BECEMO C[N@H+]1CCC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000040715834 173045733 /nfs/dbraw/zinc/04/57/33/173045733.db2.gz LBRVHTUQPJRASG-VIFPVBQESA-N 1 1 239.750 2.428 10 10 BECEMO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1O)C2 ZINC000076690961 173206609 /nfs/dbraw/zinc/20/66/09/173206609.db2.gz GQBVFKQVWGUUIJ-AGUYFDCRSA-N 1 1 246.354 2.107 10 10 BECEMO C[C@@H]1CCC[N@@H+](Cc2cc(N)ccc2O)C1 ZINC000037272160 176099756 /nfs/dbraw/zinc/09/97/56/176099756.db2.gz VFISIGZHXZIOOH-SNVBAGLBSA-N 1 1 220.316 2.206 10 10 BECEMO C[C@H](O)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309932864 632683210 /nfs/dbraw/zinc/68/32/10/632683210.db2.gz YTYCBNKGIYGPFP-BQBZGAKWSA-N 1 1 247.697 2.044 10 10 BECEMO CC[N@H+](Cc1cccc(F)c1O)[C@H]1CCOC1 ZINC000310524656 632754255 /nfs/dbraw/zinc/75/42/55/632754255.db2.gz MTLMRMYWHKMFOP-NSHDSACASA-N 1 1 239.290 2.142 10 10 BECEMO CC[N@@H+](Cc1cccc(F)c1O)[C@H]1CCOC1 ZINC000310524656 632754258 /nfs/dbraw/zinc/75/42/58/632754258.db2.gz MTLMRMYWHKMFOP-NSHDSACASA-N 1 1 239.290 2.142 10 10 BECEMO CC1(C)COC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000313031237 641529892 /nfs/dbraw/zinc/52/98/92/641529892.db2.gz YDFWCCYQWYZVBY-LLVKDONJSA-N 1 1 239.290 2.046 10 10 BECEMO COC(C)(C)CC[NH2+]Cc1cccc(F)c1O ZINC000711854140 712337051 /nfs/dbraw/zinc/33/70/51/712337051.db2.gz MHNRIRCNLGIUDQ-UHFFFAOYSA-N 1 1 241.306 2.436 10 10 BECEMO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000720155336 712828159 /nfs/dbraw/zinc/82/81/59/712828159.db2.gz FGOHUVGNTIGKCO-SECBINFHSA-N 1 1 241.306 2.434 10 10 BECEMO Cc1cc(NCCc2ccc(N)cc2)nc(C)[nH+]1 ZINC000040675840 178163190 /nfs/dbraw/zinc/16/31/90/178163190.db2.gz SPIAHCFLCDHDLN-UHFFFAOYSA-N 1 1 242.326 2.330 10 10 BECEMO CCC[C@@H]1C[N@@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409434424 343831549 /nfs/dbraw/zinc/83/15/49/343831549.db2.gz PDCHSBOFFCIHEA-BXUZGUMPSA-N 1 1 234.343 2.256 10 10 BECEMO CCC[C@@H]1C[N@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409434424 343831551 /nfs/dbraw/zinc/83/15/51/343831551.db2.gz PDCHSBOFFCIHEA-BXUZGUMPSA-N 1 1 234.343 2.256 10 10 BECEMO [NH3+][C@@H](CF)c1cccc(Br)c1O ZINC000238574672 345079162 /nfs/dbraw/zinc/07/91/62/345079162.db2.gz PXQLMLQEYIATDL-ZETCQYMHSA-N 1 1 234.068 2.124 10 10 BECEMO [NH3+][C@H](CF)c1cccc(Br)c1O ZINC000238685257 345108843 /nfs/dbraw/zinc/10/88/43/345108843.db2.gz PXQLMLQEYIATDL-SSDOTTSWSA-N 1 1 234.068 2.124 10 10 BECEMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1O ZINC000226379611 179082364 /nfs/dbraw/zinc/08/23/64/179082364.db2.gz RHNPZSVRRYSPRG-OCCSQVGLSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1cccc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1O ZINC000226379611 179082368 /nfs/dbraw/zinc/08/23/68/179082368.db2.gz RHNPZSVRRYSPRG-OCCSQVGLSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1[nH+]cn(CCc2ccc(N)cc2)c1C ZINC000051925977 180287330 /nfs/dbraw/zinc/28/73/30/180287330.db2.gz UPMFOQGGAZOGBW-UHFFFAOYSA-N 1 1 215.300 2.325 10 10 BECEMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N)cc2)C1 ZINC000204297093 363919311 /nfs/dbraw/zinc/91/93/11/363919311.db2.gz ADEHHNQEZMQYGS-WFASDCNBSA-N 1 1 245.370 2.332 10 10 BECEMO CCC[N@@H+](C)[C@@H]1CCc2cc(O)c(O)cc2C1 ZINC000006380220 169087353 /nfs/dbraw/zinc/08/73/53/169087353.db2.gz HFZBRDRTJMQKHA-GFCCVEGCSA-N 1 1 235.327 2.297 10 10 BECEMO CCC[N@@H+](C)[C@H]1CCc2c(O)c(O)ccc2C1 ZINC000095913215 169088631 /nfs/dbraw/zinc/08/86/31/169088631.db2.gz PGJVWCCOINQJTB-NSHDSACASA-N 1 1 235.327 2.297 10 10 BECEMO CCC(O)(CC)C[NH2+]Cc1cccc(F)c1O ZINC000158789964 384267806 /nfs/dbraw/zinc/26/78/06/384267806.db2.gz QFUCDIRKKBRXRA-UHFFFAOYSA-N 1 1 241.306 2.172 10 10 BECEMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000156017619 385428385 /nfs/dbraw/zinc/42/83/85/385428385.db2.gz MFYNENXEZGIUQM-ZDUSSCGKSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CCN(C)C2)c1 ZINC000156017619 385428402 /nfs/dbraw/zinc/42/84/02/385428402.db2.gz MFYNENXEZGIUQM-ZDUSSCGKSA-N 1 1 248.370 2.084 10 10 BECEMO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CCN(C)C2)c1 ZINC000156017619 385428405 /nfs/dbraw/zinc/42/84/05/385428405.db2.gz MFYNENXEZGIUQM-ZDUSSCGKSA-N 1 1 248.370 2.084 10 10 BECEMO CCC[C@](C)(O)C[NH2+]Cc1cccc(F)c1O ZINC000226608131 386345021 /nfs/dbraw/zinc/34/50/21/386345021.db2.gz PYMVYCWNSOKBTO-ZDUSSCGKSA-N 1 1 241.306 2.172 10 10 BECEMO Cc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000228174767 387080535 /nfs/dbraw/zinc/08/05/35/387080535.db2.gz POIFVGYWXHJZBJ-ZIAGYGMSSA-N 1 1 247.338 2.454 10 10 BECEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccccc1O ZINC000156082752 397755673 /nfs/dbraw/zinc/75/56/73/397755673.db2.gz ACQVJCBUKBIHOL-AWEZNQCLSA-N 1 1 248.370 2.308 10 10 BECEMO CCN1CCC[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000156082752 397755676 /nfs/dbraw/zinc/75/56/76/397755676.db2.gz ACQVJCBUKBIHOL-AWEZNQCLSA-N 1 1 248.370 2.308 10 10 BECEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1ccccc1O ZINC000156082752 397755680 /nfs/dbraw/zinc/75/56/80/397755680.db2.gz ACQVJCBUKBIHOL-AWEZNQCLSA-N 1 1 248.370 2.308 10 10 BECEMO CC(C)OCC[NH2+]Cc1cccc(F)c1O ZINC000134126773 167241070 /nfs/dbraw/zinc/24/10/70/167241070.db2.gz FDKIRMQTRQMDEK-UHFFFAOYSA-N 1 1 227.279 2.046 10 10 BECEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000036786505 167368082 /nfs/dbraw/zinc/36/80/82/167368082.db2.gz GUCXNWXHNYLACT-LLVKDONJSA-N 1 1 249.358 2.184 10 10 BECEMO C[N@H+]1CCC[C@H]1CCOc1ccc(N)cc1 ZINC000040240445 173053322 /nfs/dbraw/zinc/05/33/22/173053322.db2.gz NGXYSXVDVQRSHD-LBPRGKRZSA-N 1 1 220.316 2.132 10 10 BECEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000245847034 176324549 /nfs/dbraw/zinc/32/45/49/176324549.db2.gz CIRLETGMTNOXEE-OCCSQVGLSA-N 1 1 246.354 2.061 10 10 BECEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCC[C@@H]1C ZINC000037909698 177111794 /nfs/dbraw/zinc/11/17/94/177111794.db2.gz HFDCYCBXDYJSDB-QWRGUYRKSA-N 1 1 247.342 2.080 10 10 BECEMO C[C@H]1c2cc(O)c(O)cc2C(C)(C)C[N@@H+]1C ZINC000584639481 490181761 /nfs/dbraw/zinc/18/17/61/490181761.db2.gz ODFDXBHGMQWFHZ-QMMMGPOBSA-N 1 1 221.300 2.382 10 10 BECEMO C[C@H]1C[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000163168958 636082159 /nfs/dbraw/zinc/08/21/59/636082159.db2.gz GDZRXPXWMJLRBA-WPRPVWTQSA-N 1 1 209.264 2.277 10 10 BECEMO C[C@@H](O)[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309932865 633955466 /nfs/dbraw/zinc/95/54/66/633955466.db2.gz YTYCBNKGIYGPFP-NKWVEPMBSA-N 1 1 247.697 2.044 10 10 BECEMO Oc1c(F)cccc1C[NH2+]CCc1ccccn1 ZINC000161607461 635165892 /nfs/dbraw/zinc/16/58/92/635165892.db2.gz KQXRBIRYFQIRAO-UHFFFAOYSA-N 1 1 246.285 2.259 10 10 BECEMO C[C@]1([NH2+]Cc2cccc(F)c2O)CCCOC1 ZINC000226626091 640784728 /nfs/dbraw/zinc/78/47/28/640784728.db2.gz HRINMPFBSQURTN-ZDUSSCGKSA-N 1 1 239.290 2.190 10 10 BECEMO CO[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2O)C1 ZINC000714615581 712488917 /nfs/dbraw/zinc/48/89/17/712488917.db2.gz XRZGEVVTGGEWTR-HOMQSWHASA-N 1 1 239.290 2.046 10 10 BECEMO CCC(CC)(CO)[NH2+]Cc1cccc(F)c1O ZINC000158755764 168329314 /nfs/dbraw/zinc/32/93/14/168329314.db2.gz XTWXSMGVEJBYGV-UHFFFAOYSA-N 1 1 241.306 2.172 10 10 BECEMO Cc1cc(O)c(C[N@@H+]2CC[C@H](N(C)C)C2)cc1C ZINC000170843140 178196269 /nfs/dbraw/zinc/19/62/69/178196269.db2.gz PZQQESFCGBCVPY-AWEZNQCLSA-N 1 1 248.370 2.145 10 10 BECEMO Cc1cc(O)c(CN2CC[C@H]([NH+](C)C)C2)cc1C ZINC000170843140 178196273 /nfs/dbraw/zinc/19/62/73/178196273.db2.gz PZQQESFCGBCVPY-AWEZNQCLSA-N 1 1 248.370 2.145 10 10 BECEMO CCOC[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000146333505 342767904 /nfs/dbraw/zinc/76/79/04/342767904.db2.gz RYJLSTPBGYAOFV-CQSZACIVSA-N 1 1 234.343 2.270 10 10 BECEMO COC[C@H]1C[N@@H+](c2ccc(N)cc2)CC1(C)C ZINC000409429677 343806037 /nfs/dbraw/zinc/80/60/37/343806037.db2.gz HVHKPZQOQCVQJI-LLVKDONJSA-N 1 1 234.343 2.378 10 10 BECEMO COC[C@H]1C[N@H+](c2ccc(N)cc2)CC1(C)C ZINC000409429677 343806039 /nfs/dbraw/zinc/80/60/39/343806039.db2.gz HVHKPZQOQCVQJI-LLVKDONJSA-N 1 1 234.343 2.378 10 10 BECEMO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](N(C)C)C2)c1O ZINC000160191743 179085226 /nfs/dbraw/zinc/08/52/26/179085226.db2.gz RHNPZSVRRYSPRG-GXTWGEPZSA-N 1 1 248.370 2.083 10 10 BECEMO Cc1cccc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000160191743 179085227 /nfs/dbraw/zinc/08/52/27/179085227.db2.gz RHNPZSVRRYSPRG-GXTWGEPZSA-N 1 1 248.370 2.083 10 10 BECEMO CC[N@H+]1CC[C@]2(CCN(c3ccc(N)cc3)C2)C1 ZINC000584593273 358250967 /nfs/dbraw/zinc/25/09/67/358250967.db2.gz GRQRWEAGUFCPQM-HNNXBMFYSA-N 1 1 245.370 2.191 10 10 BECEMO C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(N)cc2)C1 ZINC000113337346 370403763 /nfs/dbraw/zinc/40/37/63/370403763.db2.gz ADEHHNQEZMQYGS-IUODEOHRSA-N 1 1 245.370 2.332 10 10 BECEMO C[C@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCCO1 ZINC000158682615 384257985 /nfs/dbraw/zinc/25/79/85/384257985.db2.gz XZDYMRVGSCRTBO-JOYOIKCWSA-N 1 1 239.290 2.188 10 10 BECEMO C[N@@H+](Cc1cccc(F)c1O)C[C@@H]1CCCO1 ZINC000160213067 384392703 /nfs/dbraw/zinc/39/27/03/384392703.db2.gz ZNOLIBPQXNKUSH-NSHDSACASA-N 1 1 239.290 2.142 10 10 BECEMO C[N@H+](Cc1cccc(F)c1O)C[C@@H]1CCCO1 ZINC000160213067 384392708 /nfs/dbraw/zinc/39/27/08/384392708.db2.gz ZNOLIBPQXNKUSH-NSHDSACASA-N 1 1 239.290 2.142 10 10 BECEMO CC[C@@H](COC)[NH2+]Cc1cccc(F)c1O ZINC000165166033 385076126 /nfs/dbraw/zinc/07/61/26/385076126.db2.gz COASGGLTZLMQDZ-JTQLQIEISA-N 1 1 227.279 2.046 10 10 BECEMO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1O ZINC000109546034 385174746 /nfs/dbraw/zinc/17/47/46/385174746.db2.gz QBICLXFCBCYULK-KOLCDFICSA-N 1 1 239.290 2.361 10 10 BECEMO CC1=CC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC000075423276 168115730 /nfs/dbraw/zinc/11/57/30/168115730.db2.gz DWNIAUCGTCUUNW-UHFFFAOYSA-N 1 1 202.301 2.421 10 10 BECEMO CC[C@@](C)(CCO)[NH2+]Cc1cccc(F)c1O ZINC000226615503 171165828 /nfs/dbraw/zinc/16/58/28/171165828.db2.gz QDGAPPPDGDVJPB-ZDUSSCGKSA-N 1 1 241.306 2.172 10 10 BECEMO CCc1[nH+]ccn1CCc1ccc(N)cc1 ZINC000042419598 172024589 /nfs/dbraw/zinc/02/45/89/172024589.db2.gz QBOHRNWCGUNRIV-UHFFFAOYSA-N 1 1 215.300 2.270 10 10 BECEMO COc1ccc(C[NH2+]C2CC2)cc1CN(C)C ZINC000045206453 175105158 /nfs/dbraw/zinc/10/51/58/175105158.db2.gz NNZBOKKLQOGIGZ-UHFFFAOYSA-N 1 1 234.343 2.009 10 10 BECEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000156075510 176322492 /nfs/dbraw/zinc/32/24/92/176322492.db2.gz CIRLETGMTNOXEE-TZMCWYRMSA-N 1 1 246.354 2.061 10 10 BECEMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000226617617 176422225 /nfs/dbraw/zinc/42/22/25/176422225.db2.gz ACONUDNYVZHPOD-MWLCHTKSSA-N 1 1 239.290 2.188 10 10 BECEMO C[C@H]1CCCC[N@H+]1Cc1cc(N)ccc1O ZINC000037272029 177076797 /nfs/dbraw/zinc/07/67/97/177076797.db2.gz USRLMJHVRRZKJD-JTQLQIEISA-N 1 1 220.316 2.349 10 10 BECEMO COC1CC([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000230673187 641080997 /nfs/dbraw/zinc/08/09/97/641080997.db2.gz FTAUZNQHTQEXGB-PUSIOWJLSA-N 1 1 239.290 2.359 10 10 BECEMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CN)c1 ZINC000071409468 643142903 /nfs/dbraw/zinc/14/29/03/643142903.db2.gz FUDXUVUURRVYFV-CYBMUJFWSA-N 1 1 234.343 2.014 10 10 BECEMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CN)c1 ZINC000071409468 643142906 /nfs/dbraw/zinc/14/29/06/643142906.db2.gz FUDXUVUURRVYFV-CYBMUJFWSA-N 1 1 234.343 2.014 10 10 BECEMO