smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+]2=NCC3=C2C2=[N+](C=CC2)C3)cc1 ZINC000096305387 178932713 /nfs/dbraw/zinc/93/27/13/178932713.db2.gz GAIZLZGLZDKNAV-UHFFFAOYSA-N 2 2 237.306 2.743 40 0 BFABLP CC(C)n1cc[nH+]c1[C@H]1C[NH2+]Cc2ccccc21 ZINC000306125755 538042836 /nfs/dbraw/zinc/04/28/36/538042836.db2.gz DBLIDZJXRLPCHV-AWEZNQCLSA-N 2 2 241.338 2.699 40 0 BFABLP c1ccc(C2=CC[N@H+](C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000096523681 188321290 /nfs/dbraw/zinc/32/12/90/188321290.db2.gz OOWGOSCOVXMUIY-MRXNPFEDSA-N 2 2 242.366 2.528 40 0 BFABLP c1ccc(C2=CC[N@@H+](C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000096523681 188321291 /nfs/dbraw/zinc/32/12/91/188321291.db2.gz OOWGOSCOVXMUIY-MRXNPFEDSA-N 2 2 242.366 2.528 40 0 BFABLP CCC[N@@H+](Cc1ccco1)C[C@@H]([NH3+])[C@H](C)CC ZINC000110764459 369978422 /nfs/dbraw/zinc/97/84/22/369978422.db2.gz JQQBLKOMBMKRRE-TZMCWYRMSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[N@H+](Cc1ccco1)C[C@@H]([NH3+])[C@H](C)CC ZINC000110764459 369978426 /nfs/dbraw/zinc/97/84/26/369978426.db2.gz JQQBLKOMBMKRRE-TZMCWYRMSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[C@@H]([NH3+])C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000096523972 169392619 /nfs/dbraw/zinc/39/26/19/169392619.db2.gz ZGDXHEKYFKBIJK-MRXNPFEDSA-N 2 2 244.382 2.903 40 0 BFABLP CCC[C@@H]([NH3+])C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000096523972 169392620 /nfs/dbraw/zinc/39/26/20/169392620.db2.gz ZGDXHEKYFKBIJK-MRXNPFEDSA-N 2 2 244.382 2.903 40 0 BFABLP C[NH+](C)CCCn1cc[nH+]c1-c1ccccc1 ZINC000095951513 384419754 /nfs/dbraw/zinc/41/97/54/384419754.db2.gz ZRXJPDXGBOQCMV-UHFFFAOYSA-N 2 2 229.327 2.502 40 0 BFABLP Cc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000219809546 384482714 /nfs/dbraw/zinc/48/27/14/384482714.db2.gz WDJXNZUPDHCAGE-IUODEOHRSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000219809546 384482720 /nfs/dbraw/zinc/48/27/20/384482720.db2.gz WDJXNZUPDHCAGE-IUODEOHRSA-N 2 2 232.371 2.727 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000096523971 385270470 /nfs/dbraw/zinc/27/04/70/385270470.db2.gz ZGDXHEKYFKBIJK-INIZCTEOSA-N 2 2 244.382 2.903 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000096523971 385270477 /nfs/dbraw/zinc/27/04/77/385270477.db2.gz ZGDXHEKYFKBIJK-INIZCTEOSA-N 2 2 244.382 2.903 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810205 385570914 /nfs/dbraw/zinc/57/09/14/385570914.db2.gz BNTIPNUKXBIXGB-ZNMIVQPWSA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810205 385570916 /nfs/dbraw/zinc/57/09/16/385570916.db2.gz BNTIPNUKXBIXGB-ZNMIVQPWSA-N 2 2 238.419 2.872 40 0 BFABLP CCCC[NH+](CCCC)C[C@H]([NH3+])C(C)C ZINC000020485822 385682659 /nfs/dbraw/zinc/68/26/59/385682659.db2.gz LAOZXUKGSSEHFF-ZDUSSCGKSA-N 2 2 214.397 2.872 40 0 BFABLP CC[C@@H](C)[C@@H]([NH3+])C[NH+]1CCCCCCC1 ZINC000020266200 385668441 /nfs/dbraw/zinc/66/84/41/385668441.db2.gz YNWDMNUQHPRGFR-OLZOCXBDSA-N 2 2 212.381 2.626 40 0 BFABLP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000095079714 385850518 /nfs/dbraw/zinc/85/05/18/385850518.db2.gz QUQVXIHJGYMLCS-LSDHHAIUSA-N 2 2 232.371 2.649 40 0 BFABLP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000095079714 385850523 /nfs/dbraw/zinc/85/05/23/385850523.db2.gz QUQVXIHJGYMLCS-LSDHHAIUSA-N 2 2 232.371 2.649 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252470052 388626341 /nfs/dbraw/zinc/62/63/41/388626341.db2.gz UAQKEJZZPGARJA-RDBSUJKOSA-N 2 2 224.392 2.626 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252470052 388626343 /nfs/dbraw/zinc/62/63/43/388626343.db2.gz UAQKEJZZPGARJA-RDBSUJKOSA-N 2 2 224.392 2.626 40 0 BFABLP C1CCC([N@@H+]2CC[NH2+][C@H]3CCCC[C@@H]32)CC1 ZINC000225711448 388840785 /nfs/dbraw/zinc/84/07/85/388840785.db2.gz KLNNTSMKRXXOKT-KBPBESRZSA-N 2 2 222.376 2.536 40 0 BFABLP C1CCC([N@H+]2CC[NH2+][C@H]3CCCC[C@@H]32)CC1 ZINC000225711448 388840788 /nfs/dbraw/zinc/84/07/88/388840788.db2.gz KLNNTSMKRXXOKT-KBPBESRZSA-N 2 2 222.376 2.536 40 0 BFABLP CC[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000053650738 170122968 /nfs/dbraw/zinc/12/29/68/170122968.db2.gz CQVVRSPUGIPISN-OAHLLOKOSA-N 2 2 232.371 2.651 40 0 BFABLP CC[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000053650738 170122970 /nfs/dbraw/zinc/12/29/70/170122970.db2.gz CQVVRSPUGIPISN-OAHLLOKOSA-N 2 2 232.371 2.651 40 0 BFABLP CCn1c2ccccc2[nH+]c1CCCCC[NH3+] ZINC000019734671 172143537 /nfs/dbraw/zinc/14/35/37/172143537.db2.gz DZANHEJXGROVJC-UHFFFAOYSA-N 2 2 231.343 2.728 40 0 BFABLP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000022163609 177104115 /nfs/dbraw/zinc/10/41/15/177104115.db2.gz AQJWATPQMKGMEX-FZMZJTMJSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000022163609 177104117 /nfs/dbraw/zinc/10/41/17/177104117.db2.gz AQJWATPQMKGMEX-FZMZJTMJSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000019400345 177104389 /nfs/dbraw/zinc/10/43/89/177104389.db2.gz VPHYZNNRJQDDPC-FZMZJTMJSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000019400345 177104390 /nfs/dbraw/zinc/10/43/90/177104390.db2.gz VPHYZNNRJQDDPC-FZMZJTMJSA-N 2 2 236.334 2.557 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034580 487720142 /nfs/dbraw/zinc/72/01/42/487720142.db2.gz VNSBHYAEYKTNTB-UONOGXRCSA-N 2 2 228.424 2.974 40 0 BFABLP CC(C)C[NH+](CC(C)C)C[C@@H]([NH3+])C(C)C ZINC000042034642 487720776 /nfs/dbraw/zinc/72/07/76/487720776.db2.gz OQOVPWBVFCWSIJ-CYBMUJFWSA-N 2 2 214.397 2.584 40 0 BFABLP C[C@](C[NH3+])(c1ccccc1Cl)[NH+]1CCCC1 ZINC000070453419 259313837 /nfs/dbraw/zinc/31/38/37/259313837.db2.gz DZWWJEXSDSIEBT-ZDUSSCGKSA-N 2 2 238.762 2.610 40 0 BFABLP CC[N@H+](Cc1ccncc1)CC1([NH3+])CCCCC1 ZINC000042516910 342777944 /nfs/dbraw/zinc/77/79/44/342777944.db2.gz QEYWUBSYMUYGOJ-UHFFFAOYSA-N 2 2 247.386 2.565 40 0 BFABLP CC[N@@H+](Cc1ccncc1)CC1([NH3+])CCCCC1 ZINC000042516910 342777946 /nfs/dbraw/zinc/77/79/46/342777946.db2.gz QEYWUBSYMUYGOJ-UHFFFAOYSA-N 2 2 247.386 2.565 40 0 BFABLP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000019256145 259373013 /nfs/dbraw/zinc/37/30/13/259373013.db2.gz DZJHDJOAIHYPNT-HIFRSBDPSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000019256145 259373015 /nfs/dbraw/zinc/37/30/15/259373015.db2.gz DZJHDJOAIHYPNT-HIFRSBDPSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000036879510 179184965 /nfs/dbraw/zinc/18/49/65/179184965.db2.gz DZJHDJOAIHYPNT-DZGCQCFKSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000036879510 179184967 /nfs/dbraw/zinc/18/49/67/179184967.db2.gz DZJHDJOAIHYPNT-DZGCQCFKSA-N 2 2 232.371 2.727 40 0 BFABLP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810178 347776349 /nfs/dbraw/zinc/77/63/49/347776349.db2.gz KKIVHKXLMQQSPC-XQLPTFJDSA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810178 347776351 /nfs/dbraw/zinc/77/63/51/347776351.db2.gz KKIVHKXLMQQSPC-XQLPTFJDSA-N 2 2 238.419 2.872 40 0 BFABLP Cc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000036875049 347952982 /nfs/dbraw/zinc/95/29/82/347952982.db2.gz WDJXNZUPDHCAGE-SWLSCSKDSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000036875049 347952985 /nfs/dbraw/zinc/95/29/85/347952985.db2.gz WDJXNZUPDHCAGE-SWLSCSKDSA-N 2 2 232.371 2.727 40 0 BFABLP C[N@@H+]1CCCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096051191 191055027 /nfs/dbraw/zinc/05/50/27/191055027.db2.gz FCPNTAWGFYWVIA-UHFFFAOYSA-N 2 2 248.370 2.730 40 0 BFABLP C[N@H+]1CCCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096051191 191055028 /nfs/dbraw/zinc/05/50/28/191055028.db2.gz FCPNTAWGFYWVIA-UHFFFAOYSA-N 2 2 248.370 2.730 40 0 BFABLP [NH3+]CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000222678568 181383423 /nfs/dbraw/zinc/38/34/23/181383423.db2.gz PFNOXODHIRAVNM-UHFFFAOYSA-N 2 2 235.718 2.649 40 0 BFABLP CCC[N@@H+](Cc1ccco1)C[C@H]([NH3+])[C@H](C)CC ZINC000110764453 369977897 /nfs/dbraw/zinc/97/78/97/369977897.db2.gz JQQBLKOMBMKRRE-OCCSQVGLSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[N@H+](Cc1ccco1)C[C@H]([NH3+])[C@H](C)CC ZINC000110764453 369977900 /nfs/dbraw/zinc/97/79/00/369977900.db2.gz JQQBLKOMBMKRRE-OCCSQVGLSA-N 2 2 238.375 2.865 40 0 BFABLP CC[NH+](CC)c1ccc([C@H]2C[C@H]2[C@@H](C)[NH3+])cc1 ZINC000062713809 370076062 /nfs/dbraw/zinc/07/60/62/370076062.db2.gz PSLMPRXZPHIWIW-BYCMXARLSA-N 2 2 232.371 2.984 40 0 BFABLP CSCC[C@@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000096523861 385268159 /nfs/dbraw/zinc/26/81/59/385268159.db2.gz DLJPJNXEEGLTPX-CYBMUJFWSA-N 2 2 246.464 2.681 40 0 BFABLP CCCC[NH+](CCCC)C[C@@H]([NH3+])CCSC ZINC000096523879 385270618 /nfs/dbraw/zinc/27/06/18/385270618.db2.gz BAJOUZJRQIYZEX-ZDUSSCGKSA-N 2 2 246.464 2.969 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+](CC)C1CCCCC1 ZINC000036873564 385587948 /nfs/dbraw/zinc/58/79/48/385587948.db2.gz BRNZWPHGIOSMBX-LBPRGKRZSA-N 2 2 212.381 2.768 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+](CC)C1CCCCC1 ZINC000036873564 385587950 /nfs/dbraw/zinc/58/79/50/385587950.db2.gz BRNZWPHGIOSMBX-LBPRGKRZSA-N 2 2 212.381 2.768 40 0 BFABLP Cc1c[nH]c([C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH+]1 ZINC000257249976 385755674 /nfs/dbraw/zinc/75/56/74/385755674.db2.gz JKMFZSIAPSHSCZ-GFCCVEGCSA-N 2 2 233.359 2.840 40 0 BFABLP Cc1c[nH]c([C@@H]2CC[N@H+](C3CCCCC3)C2)[nH+]1 ZINC000257249976 385755678 /nfs/dbraw/zinc/75/56/78/385755678.db2.gz JKMFZSIAPSHSCZ-GFCCVEGCSA-N 2 2 233.359 2.840 40 0 BFABLP CCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040417266 172143704 /nfs/dbraw/zinc/14/37/04/172143704.db2.gz ZDVJPAVNOLCMSJ-UHFFFAOYSA-N 2 2 237.734 2.601 40 0 BFABLP C[C@H](c1cccc(Cl)c1)[N@H+](CC[NH3+])C1CC1 ZINC000079421217 177036411 /nfs/dbraw/zinc/03/64/11/177036411.db2.gz DPFPHWXJZGZBMU-SNVBAGLBSA-N 2 2 238.762 2.824 40 0 BFABLP C[C@H](c1cccc(Cl)c1)[N@@H+](CC[NH3+])C1CC1 ZINC000079421217 177036412 /nfs/dbraw/zinc/03/64/12/177036412.db2.gz DPFPHWXJZGZBMU-SNVBAGLBSA-N 2 2 238.762 2.824 40 0 BFABLP Cc1cc(Cl)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000038539792 178066753 /nfs/dbraw/zinc/06/67/53/178066753.db2.gz WUMYYLGKFULIGK-UHFFFAOYSA-N 2 2 238.762 2.572 40 0 BFABLP CCc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044539941 352354473 /nfs/dbraw/zinc/35/44/73/352354473.db2.gz VDYKZWPFPNFSQA-HNNXBMFYSA-N 2 2 232.371 2.562 40 0 BFABLP CCc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044539941 352354475 /nfs/dbraw/zinc/35/44/75/352354475.db2.gz VDYKZWPFPNFSQA-HNNXBMFYSA-N 2 2 232.371 2.562 40 0 BFABLP C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccccc2F)C1 ZINC000108018401 369371261 /nfs/dbraw/zinc/37/12/61/369371261.db2.gz VPHYZNNRJQDDPC-SMDDNHRTSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccccc2F)C1 ZINC000108018401 369371266 /nfs/dbraw/zinc/37/12/66/369371266.db2.gz VPHYZNNRJQDDPC-SMDDNHRTSA-N 2 2 236.334 2.557 40 0 BFABLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000053652026 183397403 /nfs/dbraw/zinc/39/74/03/183397403.db2.gz NWFGATQHUHNXNZ-MRXNPFEDSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000053652026 183397404 /nfs/dbraw/zinc/39/74/04/183397404.db2.gz NWFGATQHUHNXNZ-MRXNPFEDSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc(C[NH2+]CC[NH2+]C2CCCCC2)cc1 ZINC000066184123 383851094 /nfs/dbraw/zinc/85/10/94/383851094.db2.gz YHAXKXSRCNYJJB-UHFFFAOYSA-N 2 2 232.371 2.699 40 0 BFABLP Cc1cc[nH+]c(NCNc2cc(C)cc[nH+]2)c1 ZINC000015782080 384442851 /nfs/dbraw/zinc/44/28/51/384442851.db2.gz CONPXCQZLJPUMF-UHFFFAOYSA-N 2 2 228.299 2.575 40 0 BFABLP C[NH+](C)CCC[NH2+]Cc1c(F)cccc1Cl ZINC000057360166 384944324 /nfs/dbraw/zinc/94/43/24/384944324.db2.gz UXEJGOBQLASVIS-UHFFFAOYSA-N 2 2 244.741 2.520 40 0 BFABLP Cc1c[nH]c([C@H]2CC[N@@H+](C3CCCCC3)C2)[nH+]1 ZINC000257249977 385755527 /nfs/dbraw/zinc/75/55/27/385755527.db2.gz JKMFZSIAPSHSCZ-LBPRGKRZSA-N 2 2 233.359 2.840 40 0 BFABLP Cc1c[nH]c([C@H]2CC[N@H+](C3CCCCC3)C2)[nH+]1 ZINC000257249977 385755532 /nfs/dbraw/zinc/75/55/32/385755532.db2.gz JKMFZSIAPSHSCZ-LBPRGKRZSA-N 2 2 233.359 2.840 40 0 BFABLP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000095079713 385850797 /nfs/dbraw/zinc/85/07/97/385850797.db2.gz QUQVXIHJGYMLCS-HUUCEWRRSA-N 2 2 232.371 2.649 40 0 BFABLP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000095079713 385850801 /nfs/dbraw/zinc/85/08/01/385850801.db2.gz QUQVXIHJGYMLCS-HUUCEWRRSA-N 2 2 232.371 2.649 40 0 BFABLP CC[C@@H](C)[C@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034578 583416239 /nfs/dbraw/zinc/41/62/39/583416239.db2.gz VNSBHYAEYKTNTB-ZIAGYGMSSA-N 2 2 228.424 2.974 40 0 BFABLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904515 167134340 /nfs/dbraw/zinc/13/43/40/167134340.db2.gz UIHFTSDNSTYZAH-OAHLLOKOSA-N 2 2 232.371 2.649 40 0 BFABLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904515 167134344 /nfs/dbraw/zinc/13/43/44/167134344.db2.gz UIHFTSDNSTYZAH-OAHLLOKOSA-N 2 2 232.371 2.649 40 0 BFABLP C[NH2+]C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000053157703 173323489 /nfs/dbraw/zinc/32/34/89/173323489.db2.gz OFMQVPYNQFHXAT-UHFFFAOYSA-N 2 2 238.762 2.524 40 0 BFABLP C[NH2+]CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000057362438 173349006 /nfs/dbraw/zinc/34/90/06/173349006.db2.gz QLTDHHZIFWPPRO-UHFFFAOYSA-N 2 2 247.169 2.693 40 0 BFABLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCCCC[NH2+]1 ZINC000242463899 176116608 /nfs/dbraw/zinc/11/66/08/176116608.db2.gz DPQMTMQEYUBYSU-MGPQQGTHSA-N 2 2 224.392 2.782 40 0 BFABLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810206 347775974 /nfs/dbraw/zinc/77/59/74/347775974.db2.gz BNTIPNUKXBIXGB-RRFJBIMHSA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810206 347775975 /nfs/dbraw/zinc/77/59/75/347775975.db2.gz BNTIPNUKXBIXGB-RRFJBIMHSA-N 2 2 238.419 2.872 40 0 BFABLP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000022172747 179342343 /nfs/dbraw/zinc/34/23/43/179342343.db2.gz WDJXNZUPDHCAGE-WFASDCNBSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000022172747 179342345 /nfs/dbraw/zinc/34/23/45/179342345.db2.gz WDJXNZUPDHCAGE-WFASDCNBSA-N 2 2 232.371 2.727 40 0 BFABLP [NH3+]CCCc1[nH]c2ccc3ccccc3c2[nH+]1 ZINC000003902914 181387293 /nfs/dbraw/zinc/38/72/93/181387293.db2.gz HQTREVIGZPXNFG-UHFFFAOYSA-N 2 2 225.295 2.607 40 0 BFABLP C[N@H+](CC1([NH3+])CCCCC1)C1CCCCC1 ZINC000020073206 371226864 /nfs/dbraw/zinc/22/68/64/371226864.db2.gz SBGHNSJEWJKOLN-UHFFFAOYSA-N 2 2 224.392 2.913 40 0 BFABLP C[N@@H+](CC1([NH3+])CCCCC1)C1CCCCC1 ZINC000020073206 371226869 /nfs/dbraw/zinc/22/68/69/371226869.db2.gz SBGHNSJEWJKOLN-UHFFFAOYSA-N 2 2 224.392 2.913 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@H]2C[NH3+])cc1 ZINC000062494921 385172457 /nfs/dbraw/zinc/17/24/57/385172457.db2.gz IZPPELIVXYQZQR-JSGCOSHPSA-N 2 2 218.344 2.595 40 0 BFABLP CSCC[C@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000096523862 385267110 /nfs/dbraw/zinc/26/71/10/385267110.db2.gz DLJPJNXEEGLTPX-ZDUSSCGKSA-N 2 2 246.464 2.681 40 0 BFABLP CCCC[N@@H+](Cc1ccco1)C[C@@H]([NH3+])C(C)C ZINC000096523742 385269091 /nfs/dbraw/zinc/26/90/91/385269091.db2.gz CZFLRAQEXLDCNQ-CQSZACIVSA-N 2 2 238.375 2.865 40 0 BFABLP CCCC[N@H+](Cc1ccco1)C[C@@H]([NH3+])C(C)C ZINC000096523742 385269096 /nfs/dbraw/zinc/26/90/96/385269096.db2.gz CZFLRAQEXLDCNQ-CQSZACIVSA-N 2 2 238.375 2.865 40 0 BFABLP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000022172743 385685972 /nfs/dbraw/zinc/68/59/72/385685972.db2.gz WDJXNZUPDHCAGE-DOMZBBRYSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000022172743 385685976 /nfs/dbraw/zinc/68/59/76/385685976.db2.gz WDJXNZUPDHCAGE-DOMZBBRYSA-N 2 2 232.371 2.727 40 0 BFABLP CC[NH+](CC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000038809129 386141057 /nfs/dbraw/zinc/14/10/57/386141057.db2.gz GLBVFNUJUIUURU-LBPRGKRZSA-N 2 2 226.751 2.682 40 0 BFABLP CC(C)C[NH+](CC(C)C)C[C@H]1CCCC[NH2+]1 ZINC000042034604 387293380 /nfs/dbraw/zinc/29/33/80/387293380.db2.gz IJDXGAVNCZTKGD-CQSZACIVSA-N 2 2 226.408 2.743 40 0 BFABLP C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000036301382 387906541 /nfs/dbraw/zinc/90/65/41/387906541.db2.gz HRELAQFKFMWHGO-UHFFFAOYSA-N 2 2 238.762 2.524 40 0 BFABLP C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000036301382 387906544 /nfs/dbraw/zinc/90/65/44/387906544.db2.gz HRELAQFKFMWHGO-UHFFFAOYSA-N 2 2 238.762 2.524 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCCCCCC1 ZINC000020266209 388762431 /nfs/dbraw/zinc/76/24/31/388762431.db2.gz YNWDMNUQHPRGFR-QWHCGFSZSA-N 2 2 212.381 2.626 40 0 BFABLP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022216383 176103040 /nfs/dbraw/zinc/10/30/40/176103040.db2.gz DABCZYVSGXTBSE-RISCZKNCSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022216383 176103041 /nfs/dbraw/zinc/10/30/41/176103041.db2.gz DABCZYVSGXTBSE-RISCZKNCSA-N 2 2 236.334 2.557 40 0 BFABLP CC(C)c1cccc(C(C)C)c1[C@H]([NH3+])C[NH3+] ZINC000117198832 490151458 /nfs/dbraw/zinc/15/14/58/490151458.db2.gz VFSODTOUXYOMAM-CYBMUJFWSA-N 2 2 220.360 2.892 40 0 BFABLP Cc1cc(C)[nH+]c(N(C)CC[NH+]2CCCCC2)c1 ZINC000001602375 342705265 /nfs/dbraw/zinc/70/52/65/342705265.db2.gz GAZIOBZAHMUZLE-UHFFFAOYSA-N 2 2 247.386 2.621 40 0 BFABLP C1CCC([N@@H+]2CC[NH2+][C@H]3CCCC[C@H]32)CC1 ZINC000218827681 398328686 /nfs/dbraw/zinc/32/86/86/398328686.db2.gz KLNNTSMKRXXOKT-UONOGXRCSA-N 2 2 222.376 2.536 40 0 BFABLP C1CCC([N@H+]2CC[NH2+][C@H]3CCCC[C@H]32)CC1 ZINC000218827681 398328688 /nfs/dbraw/zinc/32/86/88/398328688.db2.gz KLNNTSMKRXXOKT-UONOGXRCSA-N 2 2 222.376 2.536 40 0 BFABLP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000019256147 179198918 /nfs/dbraw/zinc/19/89/18/179198918.db2.gz DZJHDJOAIHYPNT-ZFWWWQNUSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000019256147 179198920 /nfs/dbraw/zinc/19/89/20/179198920.db2.gz DZJHDJOAIHYPNT-ZFWWWQNUSA-N 2 2 232.371 2.727 40 0 BFABLP CCC[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036873723 347953025 /nfs/dbraw/zinc/95/30/25/347953025.db2.gz UAQKEJZZPGARJA-BFHYXJOUSA-N 2 2 224.392 2.626 40 0 BFABLP CCC[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036873723 347953029 /nfs/dbraw/zinc/95/30/29/347953029.db2.gz UAQKEJZZPGARJA-BFHYXJOUSA-N 2 2 224.392 2.626 40 0 BFABLP Cc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038827564 350324391 /nfs/dbraw/zinc/32/43/91/350324391.db2.gz VZNUIVSRDUUPPL-ZFWWWQNUSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038827564 350324393 /nfs/dbraw/zinc/32/43/93/350324393.db2.gz VZNUIVSRDUUPPL-ZFWWWQNUSA-N 2 2 232.371 2.727 40 0 BFABLP CCC[N@@H+](Cc1ccco1)C[C@H]([NH3+])CC(C)C ZINC000096523757 169179889 /nfs/dbraw/zinc/17/98/89/169179889.db2.gz PXKDHLKIFDFYLN-CYBMUJFWSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[N@H+](Cc1ccco1)C[C@H]([NH3+])CC(C)C ZINC000096523757 169179890 /nfs/dbraw/zinc/17/98/90/169179890.db2.gz PXKDHLKIFDFYLN-CYBMUJFWSA-N 2 2 238.375 2.865 40 0 BFABLP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000043816430 383909714 /nfs/dbraw/zinc/90/97/14/383909714.db2.gz QUQVXIHJGYMLCS-CABCVRRESA-N 2 2 232.371 2.649 40 0 BFABLP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000043816430 383909721 /nfs/dbraw/zinc/90/97/21/383909721.db2.gz QUQVXIHJGYMLCS-CABCVRRESA-N 2 2 232.371 2.649 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810176 385571166 /nfs/dbraw/zinc/57/11/66/385571166.db2.gz KKIVHKXLMQQSPC-BYNSBNAKSA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810176 385571170 /nfs/dbraw/zinc/57/11/70/385571170.db2.gz KKIVHKXLMQQSPC-BYNSBNAKSA-N 2 2 238.419 2.872 40 0 BFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CC(C)(C)C)C2)[nH+]1 ZINC000257228180 385754891 /nfs/dbraw/zinc/75/48/91/385754891.db2.gz FSRRSSIBRQHSNG-GFCCVEGCSA-N 2 2 235.375 2.944 40 0 BFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC(C)(C)C)C2)[nH+]1 ZINC000257228180 385754894 /nfs/dbraw/zinc/75/48/94/385754894.db2.gz FSRRSSIBRQHSNG-GFCCVEGCSA-N 2 2 235.375 2.944 40 0 BFABLP CC[NH+](CC)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000038809130 386141457 /nfs/dbraw/zinc/14/14/57/386141457.db2.gz GLBVFNUJUIUURU-GFCCVEGCSA-N 2 2 226.751 2.682 40 0 BFABLP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccccc2F)C1 ZINC000242688403 388400771 /nfs/dbraw/zinc/40/07/71/388400771.db2.gz VPHYZNNRJQDDPC-BXUZGUMPSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccccc2F)C1 ZINC000242688403 388400773 /nfs/dbraw/zinc/40/07/73/388400773.db2.gz VPHYZNNRJQDDPC-BXUZGUMPSA-N 2 2 236.334 2.557 40 0 BFABLP C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000037483390 173323021 /nfs/dbraw/zinc/32/30/21/173323021.db2.gz FEUUFLRMGRVTRX-UHFFFAOYSA-N 2 2 238.762 2.524 40 0 BFABLP CC[C@@H](C)[C@@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034582 487720401 /nfs/dbraw/zinc/72/04/01/487720401.db2.gz VNSBHYAEYKTNTB-KGLIPLIRSA-N 2 2 228.424 2.974 40 0 BFABLP CC(C)C[NH+](CC(C)C)C[C@H]([NH3+])C(C)C ZINC000042034640 487720622 /nfs/dbraw/zinc/72/06/22/487720622.db2.gz OQOVPWBVFCWSIJ-ZDUSSCGKSA-N 2 2 214.397 2.584 40 0 BFABLP CC(C)C[C@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034636 487720768 /nfs/dbraw/zinc/72/07/68/487720768.db2.gz SQDDFBTYQGOZHR-AWEZNQCLSA-N 2 2 228.424 2.974 40 0 BFABLP c1ccc2c(c1)[nH+]c(C1CC1)n2C1CC[NH2+]CC1 ZINC000036261454 491122363 /nfs/dbraw/zinc/12/23/63/491122363.db2.gz VYZYRBUHNDCNJJ-UHFFFAOYSA-N 2 2 241.338 2.838 40 0 BFABLP Cc1cc2[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c2cc1C ZINC000013998167 178303626 /nfs/dbraw/zinc/30/36/26/178303626.db2.gz AYHHVJWESHJEPI-LLVKDONJSA-N 2 2 229.327 2.647 40 0 BFABLP C[C@@](C[NH3+])(c1ccccc1Cl)[NH+]1CCCC1 ZINC000070453418 259313848 /nfs/dbraw/zinc/31/38/48/259313848.db2.gz DZWWJEXSDSIEBT-CYBMUJFWSA-N 2 2 238.762 2.610 40 0 BFABLP CCOc1ccccc1[C@H](C[NH3+])[NH+]1CCCCC1 ZINC000038827641 350324145 /nfs/dbraw/zinc/32/41/45/350324145.db2.gz LOXXZSDJVWKOOL-AWEZNQCLSA-N 2 2 248.370 2.571 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275795 368304584 /nfs/dbraw/zinc/30/45/84/368304584.db2.gz KKIVHKXLMQQSPC-GBJTYRQASA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275795 368304588 /nfs/dbraw/zinc/30/45/88/368304588.db2.gz KKIVHKXLMQQSPC-GBJTYRQASA-N 2 2 238.419 2.872 40 0 BFABLP CCCCn1c2ccccc2[nH+]c1CCC[NH3+] ZINC000019734033 169033956 /nfs/dbraw/zinc/03/39/56/169033956.db2.gz APXYPEGXPTZCKR-UHFFFAOYSA-N 2 2 231.343 2.728 40 0 BFABLP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000053652029 183397479 /nfs/dbraw/zinc/39/74/79/183397479.db2.gz NWFGATQHUHNXNZ-INIZCTEOSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000053652029 183397482 /nfs/dbraw/zinc/39/74/82/183397482.db2.gz NWFGATQHUHNXNZ-INIZCTEOSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc([C@@H]2CC[NH2+][C@H](C[NH+]3CCCC3)C2)cc1 ZINC000039982822 384125297 /nfs/dbraw/zinc/12/52/97/384125297.db2.gz NEMBOXPYMBMMTE-CVEARBPZSA-N 2 2 244.382 2.618 40 0 BFABLP c1ccc([C@H]2CC[NH2+][C@H](C[NH+]3CCCC3)C2)cc1 ZINC000039982823 384125932 /nfs/dbraw/zinc/12/59/32/384125932.db2.gz NEMBOXPYMBMMTE-HOTGVXAUSA-N 2 2 244.382 2.618 40 0 BFABLP CC[C@H](c1ccccc1)[N@H+](CC[NH3+])C1CC1 ZINC000079421251 384144873 /nfs/dbraw/zinc/14/48/73/384144873.db2.gz LSTZHIXDZVZVBR-CQSZACIVSA-N 2 2 218.344 2.561 40 0 BFABLP CC[C@H](c1ccccc1)[N@@H+](CC[NH3+])C1CC1 ZINC000079421251 384144881 /nfs/dbraw/zinc/14/48/81/384144881.db2.gz LSTZHIXDZVZVBR-CQSZACIVSA-N 2 2 218.344 2.561 40 0 BFABLP CCCC[N@@H+](Cc1ccco1)C[C@@H]1CCC[NH2+]1 ZINC000096523686 385267519 /nfs/dbraw/zinc/26/75/19/385267519.db2.gz FISRILISDWSLIO-ZDUSSCGKSA-N 2 2 236.359 2.634 40 0 BFABLP CCCC[N@H+](Cc1ccco1)C[C@@H]1CCC[NH2+]1 ZINC000096523686 385267527 /nfs/dbraw/zinc/26/75/27/385267527.db2.gz FISRILISDWSLIO-ZDUSSCGKSA-N 2 2 236.359 2.634 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036873721 385589018 /nfs/dbraw/zinc/58/90/18/385589018.db2.gz UAQKEJZZPGARJA-MJBXVCDLSA-N 2 2 224.392 2.626 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036873721 385589023 /nfs/dbraw/zinc/58/90/23/385589023.db2.gz UAQKEJZZPGARJA-MJBXVCDLSA-N 2 2 224.392 2.626 40 0 BFABLP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000072411135 388639818 /nfs/dbraw/zinc/63/98/18/388639818.db2.gz IBXAZXXRKXCENX-OLZOCXBDSA-N 2 2 238.762 2.700 40 0 BFABLP CC1CC[NH+]([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000019255908 168186181 /nfs/dbraw/zinc/18/61/81/168186181.db2.gz SKWHWOWBDCPJGZ-AWEZNQCLSA-N 2 2 236.334 2.557 40 0 BFABLP CC1CC[NH+]([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000038827615 168186633 /nfs/dbraw/zinc/18/66/33/168186633.db2.gz IOUBGTKBRCAZCQ-AWEZNQCLSA-N 2 2 236.334 2.557 40 0 BFABLP CC1CC[NH+]([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000038827616 168187547 /nfs/dbraw/zinc/18/75/47/168187547.db2.gz IOUBGTKBRCAZCQ-CQSZACIVSA-N 2 2 236.334 2.557 40 0 BFABLP C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000037395210 173323267 /nfs/dbraw/zinc/32/32/67/173323267.db2.gz JIADFQQKSWOJAO-UHFFFAOYSA-N 2 2 238.762 2.524 40 0 BFABLP C[C@@H](c1cccc(Cl)c1)[N@H+](CC[NH3+])C1CC1 ZINC000079421213 176018431 /nfs/dbraw/zinc/01/84/31/176018431.db2.gz DPFPHWXJZGZBMU-JTQLQIEISA-N 2 2 238.762 2.824 40 0 BFABLP C[C@@H](c1cccc(Cl)c1)[N@@H+](CC[NH3+])C1CC1 ZINC000079421213 176018433 /nfs/dbraw/zinc/01/84/33/176018433.db2.gz DPFPHWXJZGZBMU-JTQLQIEISA-N 2 2 238.762 2.824 40 0 BFABLP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022216388 177103051 /nfs/dbraw/zinc/10/30/51/177103051.db2.gz DABCZYVSGXTBSE-FZMZJTMJSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022216388 177103054 /nfs/dbraw/zinc/10/30/54/177103054.db2.gz DABCZYVSGXTBSE-FZMZJTMJSA-N 2 2 236.334 2.557 40 0 BFABLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032015303 343290522 /nfs/dbraw/zinc/29/05/22/343290522.db2.gz JSCCEFNAGHCWEW-UHFFFAOYSA-N 2 2 226.751 2.509 40 0 BFABLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032015303 343290524 /nfs/dbraw/zinc/29/05/24/343290524.db2.gz JSCCEFNAGHCWEW-UHFFFAOYSA-N 2 2 226.751 2.509 40 0 BFABLP CC[C@@H](c1ccccc1)[N@H+](CC[NH3+])C1CC1 ZINC000079421246 343400787 /nfs/dbraw/zinc/40/07/87/343400787.db2.gz LSTZHIXDZVZVBR-AWEZNQCLSA-N 2 2 218.344 2.561 40 0 BFABLP CC[C@@H](c1ccccc1)[N@@H+](CC[NH3+])C1CC1 ZINC000079421246 343400789 /nfs/dbraw/zinc/40/07/89/343400789.db2.gz LSTZHIXDZVZVBR-AWEZNQCLSA-N 2 2 218.344 2.561 40 0 BFABLP Fc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1 ZINC000036874240 347952883 /nfs/dbraw/zinc/95/28/83/347952883.db2.gz UXDZOEUAAPXRGP-UHFFFAOYSA-N 2 2 245.301 2.683 40 0 BFABLP CC(C)c1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000038827573 349262471 /nfs/dbraw/zinc/26/24/71/349262471.db2.gz TWJVTFWLVAGBPQ-OAHLLOKOSA-N 2 2 232.371 2.906 40 0 BFABLP CC(C)[C@H]([NH3+])C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000096523739 188321137 /nfs/dbraw/zinc/32/11/37/188321137.db2.gz KRUGHDNGJHKDFD-MRXNPFEDSA-N 2 2 244.382 2.759 40 0 BFABLP CC(C)[C@H]([NH3+])C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000096523739 188321139 /nfs/dbraw/zinc/32/11/39/188321139.db2.gz KRUGHDNGJHKDFD-MRXNPFEDSA-N 2 2 244.382 2.759 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275834 369385465 /nfs/dbraw/zinc/38/54/65/369385465.db2.gz BNTIPNUKXBIXGB-KFWWJZLASA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275834 369385469 /nfs/dbraw/zinc/38/54/69/369385469.db2.gz BNTIPNUKXBIXGB-KFWWJZLASA-N 2 2 238.419 2.872 40 0 BFABLP C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2cccc(F)c2)C1 ZINC000108018407 369370645 /nfs/dbraw/zinc/37/06/45/369370645.db2.gz AQJWATPQMKGMEX-SMDDNHRTSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2cccc(F)c2)C1 ZINC000108018407 369370650 /nfs/dbraw/zinc/37/06/50/369370650.db2.gz AQJWATPQMKGMEX-SMDDNHRTSA-N 2 2 236.334 2.557 40 0 BFABLP c1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC000096985142 183398214 /nfs/dbraw/zinc/39/82/14/183398214.db2.gz ROBNYLCIUULIJV-INIZCTEOSA-N 2 2 244.382 2.795 40 0 BFABLP c1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC000096985142 183398216 /nfs/dbraw/zinc/39/82/16/183398216.db2.gz ROBNYLCIUULIJV-INIZCTEOSA-N 2 2 244.382 2.795 40 0 BFABLP Fc1ccc(-c2[nH+]ccn2C2CC[NH2+]CC2)cc1 ZINC000082735252 384559356 /nfs/dbraw/zinc/55/93/56/384559356.db2.gz JMVJEQSIFOEVPL-UHFFFAOYSA-N 2 2 245.301 2.614 40 0 BFABLP CCCC[N@@H+](Cc1ccco1)C[C@H]([NH3+])C(C)C ZINC000096523741 385267977 /nfs/dbraw/zinc/26/79/77/385267977.db2.gz CZFLRAQEXLDCNQ-AWEZNQCLSA-N 2 2 238.375 2.865 40 0 BFABLP CCCC[N@H+](Cc1ccco1)C[C@H]([NH3+])C(C)C ZINC000096523741 385267982 /nfs/dbraw/zinc/26/79/82/385267982.db2.gz CZFLRAQEXLDCNQ-AWEZNQCLSA-N 2 2 238.375 2.865 40 0 BFABLP CCCC[N@@H+](Cc1ccco1)C[C@H]1CCC[NH2+]1 ZINC000096523687 385268992 /nfs/dbraw/zinc/26/89/92/385268992.db2.gz FISRILISDWSLIO-CYBMUJFWSA-N 2 2 236.359 2.634 40 0 BFABLP CCCC[N@H+](Cc1ccco1)C[C@H]1CCC[NH2+]1 ZINC000096523687 385268997 /nfs/dbraw/zinc/26/89/97/385268997.db2.gz FISRILISDWSLIO-CYBMUJFWSA-N 2 2 236.359 2.634 40 0 BFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CC3CCC3)C2)[nH+]1 ZINC000257340403 385764454 /nfs/dbraw/zinc/76/44/54/385764454.db2.gz ZFXGYHPCUAPVDA-CYBMUJFWSA-N 2 2 233.359 2.698 40 0 BFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3CCC3)C2)[nH+]1 ZINC000257340403 385764458 /nfs/dbraw/zinc/76/44/58/385764458.db2.gz ZFXGYHPCUAPVDA-CYBMUJFWSA-N 2 2 233.359 2.698 40 0 BFABLP Cc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076716 388352725 /nfs/dbraw/zinc/35/27/25/388352725.db2.gz VZNUIVSRDUUPPL-HIFRSBDPSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000216076716 388352727 /nfs/dbraw/zinc/35/27/27/388352727.db2.gz VZNUIVSRDUUPPL-HIFRSBDPSA-N 2 2 232.371 2.727 40 0 BFABLP C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000095067825 388590904 /nfs/dbraw/zinc/59/09/04/388590904.db2.gz DEZKBLHWBOYCNS-CYBMUJFWSA-N 2 2 238.762 2.524 40 0 BFABLP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000095067825 388590905 /nfs/dbraw/zinc/59/09/05/388590905.db2.gz DEZKBLHWBOYCNS-CYBMUJFWSA-N 2 2 238.762 2.524 40 0 BFABLP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039141056 388610568 /nfs/dbraw/zinc/61/05/68/388610568.db2.gz OKQWXJUBSFCXBO-HNNXBMFYSA-N 2 2 232.371 2.649 40 0 BFABLP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039141056 388610572 /nfs/dbraw/zinc/61/05/72/388610572.db2.gz OKQWXJUBSFCXBO-HNNXBMFYSA-N 2 2 232.371 2.649 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470011 388652712 /nfs/dbraw/zinc/65/27/12/388652712.db2.gz KKIVHKXLMQQSPC-ZQDZILKHSA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470011 388652715 /nfs/dbraw/zinc/65/27/15/388652715.db2.gz KKIVHKXLMQQSPC-ZQDZILKHSA-N 2 2 238.419 2.872 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1 ZINC000062713806 388655173 /nfs/dbraw/zinc/65/51/73/388655173.db2.gz PSLMPRXZPHIWIW-UGFHNGPFSA-N 2 2 232.371 2.984 40 0 BFABLP Cc1ccoc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261562175 135203636 /nfs/dbraw/zinc/20/36/36/135203636.db2.gz GIQTUKDIFQPHMF-UONOGXRCSA-N 2 2 242.322 2.822 40 0 BFABLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904516 167140769 /nfs/dbraw/zinc/14/07/69/167140769.db2.gz UIHFTSDNSTYZAH-HNNXBMFYSA-N 2 2 232.371 2.649 40 0 BFABLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904516 167140772 /nfs/dbraw/zinc/14/07/72/167140772.db2.gz UIHFTSDNSTYZAH-HNNXBMFYSA-N 2 2 232.371 2.649 40 0 BFABLP Cc1cc2[nH+]c(C3CC[NH2+]CC3)[nH]c2cc1Cl ZINC000027759951 178276561 /nfs/dbraw/zinc/27/65/61/178276561.db2.gz BQGVHBKJDPWIDO-UHFFFAOYSA-N 2 2 249.745 2.992 40 0 BFABLP CCCCCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000038086811 343370004 /nfs/dbraw/zinc/37/00/04/343370004.db2.gz XXPQOQOJALPXKR-CYBMUJFWSA-N 2 2 212.381 2.641 40 0 BFABLP CCCCCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000038086811 343370006 /nfs/dbraw/zinc/37/00/06/343370006.db2.gz XXPQOQOJALPXKR-CYBMUJFWSA-N 2 2 212.381 2.641 40 0 BFABLP CSc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1 ZINC000079420459 187262885 /nfs/dbraw/zinc/26/28/85/187262885.db2.gz CNIBAITVNGXRTL-UHFFFAOYSA-N 2 2 238.400 2.578 40 0 BFABLP CSc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1 ZINC000079420459 187262887 /nfs/dbraw/zinc/26/28/87/187262887.db2.gz CNIBAITVNGXRTL-UHFFFAOYSA-N 2 2 238.400 2.578 40 0 BFABLP CC[C@@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810175 347776128 /nfs/dbraw/zinc/77/61/28/347776128.db2.gz KKIVHKXLMQQSPC-LXTVHRRPSA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@@H](C)[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810175 347776130 /nfs/dbraw/zinc/77/61/30/347776130.db2.gz KKIVHKXLMQQSPC-LXTVHRRPSA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)n1cc[nH+]c1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000306125756 538042533 /nfs/dbraw/zinc/04/25/33/538042533.db2.gz DBLIDZJXRLPCHV-CQSZACIVSA-N 2 2 241.338 2.699 40 0 BFABLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044539939 352654816 /nfs/dbraw/zinc/65/48/16/352654816.db2.gz VDYKZWPFPNFSQA-OAHLLOKOSA-N 2 2 232.371 2.562 40 0 BFABLP CCc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044539939 352654819 /nfs/dbraw/zinc/65/48/19/352654819.db2.gz VDYKZWPFPNFSQA-OAHLLOKOSA-N 2 2 232.371 2.562 40 0 BFABLP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000205684474 368356927 /nfs/dbraw/zinc/35/69/27/368356927.db2.gz QRDGIPDNCKKWSV-JYJNAYRXSA-N 2 2 244.382 2.616 40 0 BFABLP C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000205684474 368356933 /nfs/dbraw/zinc/35/69/33/368356933.db2.gz QRDGIPDNCKKWSV-JYJNAYRXSA-N 2 2 244.382 2.616 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])cc1 ZINC000108350516 369390411 /nfs/dbraw/zinc/39/04/11/369390411.db2.gz PSLMPRXZPHIWIW-GLQYFDAESA-N 2 2 232.371 2.984 40 0 BFABLP CC(C)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000062718688 370090012 /nfs/dbraw/zinc/09/00/12/370090012.db2.gz XCWZGZJEJRPXKC-UHFFFAOYSA-N 2 2 231.343 2.741 40 0 BFABLP c1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000079438010 183396778 /nfs/dbraw/zinc/39/67/78/183396778.db2.gz XKZOLVAAKWLWKB-OAHLLOKOSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc(C[N@H+](C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000079438010 183396780 /nfs/dbraw/zinc/39/67/80/183396780.db2.gz XKZOLVAAKWLWKB-OAHLLOKOSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc([C@H]2CC[NH2+][C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000039982825 183431379 /nfs/dbraw/zinc/43/13/79/183431379.db2.gz NEMBOXPYMBMMTE-JKSUJKDBSA-N 2 2 244.382 2.618 40 0 BFABLP CC(C)C[C@H]([NH3+])C[NH+]1CCCCCCC1 ZINC000020266231 385669998 /nfs/dbraw/zinc/66/99/98/385669998.db2.gz XBYQWLOMNCKGFY-ZDUSSCGKSA-N 2 2 212.381 2.626 40 0 BFABLP Cc1c[nH]c([C@H]2CCC[N@H+](CC(C)(C)C)C2)[nH+]1 ZINC000257228181 385756089 /nfs/dbraw/zinc/75/60/89/385756089.db2.gz FSRRSSIBRQHSNG-LBPRGKRZSA-N 2 2 235.375 2.944 40 0 BFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CC(C)(C)C)C2)[nH+]1 ZINC000257228181 385756093 /nfs/dbraw/zinc/75/60/93/385756093.db2.gz FSRRSSIBRQHSNG-LBPRGKRZSA-N 2 2 235.375 2.944 40 0 BFABLP CC(C)C[C@@H]([NH3+])C[NH+]1CCCCCCC1 ZINC000020266227 388761024 /nfs/dbraw/zinc/76/10/24/388761024.db2.gz XBYQWLOMNCKGFY-CYBMUJFWSA-N 2 2 212.381 2.626 40 0 BFABLP Cc1ccoc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261562176 135203516 /nfs/dbraw/zinc/20/35/16/135203516.db2.gz GIQTUKDIFQPHMF-ZIAGYGMSSA-N 2 2 242.322 2.822 40 0 BFABLP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000019400342 176103072 /nfs/dbraw/zinc/10/30/72/176103072.db2.gz VPHYZNNRJQDDPC-RISCZKNCSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000019400342 176103073 /nfs/dbraw/zinc/10/30/73/176103073.db2.gz VPHYZNNRJQDDPC-RISCZKNCSA-N 2 2 236.334 2.557 40 0 BFABLP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020072396 343263490 /nfs/dbraw/zinc/26/34/90/343263490.db2.gz OKQWXJUBSFCXBO-OAHLLOKOSA-N 2 2 232.371 2.649 40 0 BFABLP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020072396 343263492 /nfs/dbraw/zinc/26/34/92/343263492.db2.gz OKQWXJUBSFCXBO-OAHLLOKOSA-N 2 2 232.371 2.649 40 0 BFABLP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1C ZINC000095532269 178853538 /nfs/dbraw/zinc/85/35/38/178853538.db2.gz UQRQNEQUMXFKIZ-OAHLLOKOSA-N 2 2 232.371 2.789 40 0 BFABLP CC(C)c1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000038827574 350324201 /nfs/dbraw/zinc/32/42/01/350324201.db2.gz TWJVTFWLVAGBPQ-HNNXBMFYSA-N 2 2 232.371 2.906 40 0 BFABLP CC[NH+](CC)c1ccc([C@H]2C[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000062713804 370076028 /nfs/dbraw/zinc/07/60/28/370076028.db2.gz PSLMPRXZPHIWIW-KCPJHIHWSA-N 2 2 232.371 2.984 40 0 BFABLP c1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC000096985141 183399274 /nfs/dbraw/zinc/39/92/74/183399274.db2.gz ROBNYLCIUULIJV-MRXNPFEDSA-N 2 2 244.382 2.795 40 0 BFABLP c1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC000096985141 183399277 /nfs/dbraw/zinc/39/92/77/183399277.db2.gz ROBNYLCIUULIJV-MRXNPFEDSA-N 2 2 244.382 2.795 40 0 BFABLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000076632151 384060478 /nfs/dbraw/zinc/06/04/78/384060478.db2.gz JWHQLWVDHIVXIP-UHFFFAOYSA-N 2 2 247.169 2.774 40 0 BFABLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000076632151 384060484 /nfs/dbraw/zinc/06/04/84/384060484.db2.gz JWHQLWVDHIVXIP-UHFFFAOYSA-N 2 2 247.169 2.774 40 0 BFABLP c1ccc(C2=CC[N@H+](C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000096523680 385267677 /nfs/dbraw/zinc/26/76/77/385267677.db2.gz OOWGOSCOVXMUIY-INIZCTEOSA-N 2 2 242.366 2.528 40 0 BFABLP c1ccc(C2=CC[N@@H+](C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000096523680 385267685 /nfs/dbraw/zinc/26/76/85/385267685.db2.gz OOWGOSCOVXMUIY-INIZCTEOSA-N 2 2 242.366 2.528 40 0 BFABLP CC[N@H+](C[C@@H]([NH3+])CCSC)C1CCCCC1 ZINC000096523869 385271293 /nfs/dbraw/zinc/27/12/93/385271293.db2.gz UEMCHYRWCXPGHN-LBPRGKRZSA-N 2 2 244.448 2.721 40 0 BFABLP CC[N@@H+](C[C@@H]([NH3+])CCSC)C1CCCCC1 ZINC000096523869 385271297 /nfs/dbraw/zinc/27/12/97/385271297.db2.gz UEMCHYRWCXPGHN-LBPRGKRZSA-N 2 2 244.448 2.721 40 0 BFABLP C[NH2+][C@H]1CC[C@H](Cc2[nH+]cccc2C)CC1 ZINC000257327269 385763832 /nfs/dbraw/zinc/76/38/32/385763832.db2.gz XASUUGNTMFGXDP-JOCQHMNTSA-N 2 2 218.344 2.711 40 0 BFABLP C[NH2+][C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000079438625 387854670 /nfs/dbraw/zinc/85/46/70/387854670.db2.gz DGTDJSRJDUTUEK-YKXBDCQTSA-N 2 2 244.382 2.774 40 0 BFABLP C[NH2+][C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000079438625 387854675 /nfs/dbraw/zinc/85/46/75/387854675.db2.gz DGTDJSRJDUTUEK-YKXBDCQTSA-N 2 2 244.382 2.774 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000062713802 388654902 /nfs/dbraw/zinc/65/49/02/388654902.db2.gz PSLMPRXZPHIWIW-DFBGVHRSSA-N 2 2 232.371 2.984 40 0 BFABLP CC1CC[NH+]([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000019255910 168188065 /nfs/dbraw/zinc/18/80/65/168188065.db2.gz SKWHWOWBDCPJGZ-CQSZACIVSA-N 2 2 236.334 2.557 40 0 BFABLP C[NH2+]CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000222678662 173350075 /nfs/dbraw/zinc/35/00/75/173350075.db2.gz JDVVUROXDJAGKW-UHFFFAOYSA-N 2 2 249.745 2.910 40 0 BFABLP CC(C)c1cccc(C(C)C)c1[C@@H]([NH3+])C[NH3+] ZINC000117198828 490151621 /nfs/dbraw/zinc/15/16/21/490151621.db2.gz VFSODTOUXYOMAM-ZDUSSCGKSA-N 2 2 220.360 2.892 40 0 BFABLP Cc1cc2[nH]c([C@H]3CCC[NH2+]C3)[nH+]c2cc1C ZINC000013998171 178304239 /nfs/dbraw/zinc/30/42/39/178304239.db2.gz AYHHVJWESHJEPI-NSHDSACASA-N 2 2 229.327 2.647 40 0 BFABLP Cc1ccccc1[C@](C)(C[NH3+])[NH+]1CCCCC1 ZINC000070453399 259313942 /nfs/dbraw/zinc/31/39/42/259313942.db2.gz ISUVNSUWUKPIGJ-HNNXBMFYSA-N 2 2 232.371 2.655 40 0 BFABLP CCCCCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000038086812 343369526 /nfs/dbraw/zinc/36/95/26/343369526.db2.gz XXPQOQOJALPXKR-ZDUSSCGKSA-N 2 2 212.381 2.641 40 0 BFABLP CCCCCC[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000038086812 343369529 /nfs/dbraw/zinc/36/95/29/343369529.db2.gz XXPQOQOJALPXKR-ZDUSSCGKSA-N 2 2 212.381 2.641 40 0 BFABLP CCCC[NH+](CCCC)C[C@@H]([NH3+])C(C)C ZINC000020485819 259403973 /nfs/dbraw/zinc/40/39/73/259403973.db2.gz LAOZXUKGSSEHFF-CYBMUJFWSA-N 2 2 214.397 2.872 40 0 BFABLP CCCC[NH+](CCCC)C[C@H]([NH3+])CCSC ZINC000096523878 168806877 /nfs/dbraw/zinc/80/68/77/168806877.db2.gz BAJOUZJRQIYZEX-CYBMUJFWSA-N 2 2 246.464 2.969 40 0 BFABLP CC(C)[N@H+](CC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000079421274 384145068 /nfs/dbraw/zinc/14/50/68/384145068.db2.gz ZTYMKJBOIWOJED-NSHDSACASA-N 2 2 224.323 2.556 40 0 BFABLP CC(C)[N@@H+](CC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000079421274 384145074 /nfs/dbraw/zinc/14/50/74/384145074.db2.gz ZTYMKJBOIWOJED-NSHDSACASA-N 2 2 224.323 2.556 40 0 BFABLP [NH3+]CC[C@@H]1CCCc2c1[nH+]cn2-c1ccccc1 ZINC000217783802 388382247 /nfs/dbraw/zinc/38/22/47/388382247.db2.gz JSSFBKVYQHKFQI-LBPRGKRZSA-N 2 2 241.338 2.641 40 0 BFABLP CC[C@@H](C)[C@H]([NH3+])C[NH+]1CCCCCCC1 ZINC000020266206 388761191 /nfs/dbraw/zinc/76/11/91/388761191.db2.gz YNWDMNUQHPRGFR-CHWSQXEVSA-N 2 2 212.381 2.626 40 0 BFABLP CC[C@H](C)[C@@H]([NH3+])C[NH+]1CCCCCCC1 ZINC000020266204 388762178 /nfs/dbraw/zinc/76/21/78/388762178.db2.gz YNWDMNUQHPRGFR-STQMWFEESA-N 2 2 212.381 2.626 40 0 BFABLP C[NH2+]CCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000222686803 173349879 /nfs/dbraw/zinc/34/98/79/173349879.db2.gz WIWLRRDKWQOCHH-UHFFFAOYSA-N 2 2 247.317 2.704 40 0 BFABLP CC(C)C[C@@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034638 487720370 /nfs/dbraw/zinc/72/03/70/487720370.db2.gz SQDDFBTYQGOZHR-CQSZACIVSA-N 2 2 228.424 2.974 40 0 BFABLP CC(C)(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000019269516 347515422 /nfs/dbraw/zinc/51/54/22/347515422.db2.gz OIKRWUPLUXKWFP-UHFFFAOYSA-N 2 2 246.398 2.779 40 0 BFABLP CC(C)(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000019269516 347515425 /nfs/dbraw/zinc/51/54/25/347515425.db2.gz OIKRWUPLUXKWFP-UHFFFAOYSA-N 2 2 246.398 2.779 40 0 BFABLP [NH3+]C1(C[NH+]2CCCCCC2)CCCCC1 ZINC000020072027 181330663 /nfs/dbraw/zinc/33/06/63/181330663.db2.gz NEUFJZQCNBXOCC-UHFFFAOYSA-N 2 2 210.365 2.524 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@H]2[C@H](C)[NH3+])cc1 ZINC000108350523 369390406 /nfs/dbraw/zinc/39/04/06/369390406.db2.gz PSLMPRXZPHIWIW-CQDKDKBSSA-N 2 2 232.371 2.984 40 0 BFABLP Cc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000219809638 384481670 /nfs/dbraw/zinc/48/16/70/384481670.db2.gz VZNUIVSRDUUPPL-UKRRQHHQSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219809638 384481676 /nfs/dbraw/zinc/48/16/76/384481676.db2.gz VZNUIVSRDUUPPL-UKRRQHHQSA-N 2 2 232.371 2.727 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2C[NH2+]C)cc1 ZINC000062494907 385172126 /nfs/dbraw/zinc/17/21/26/385172126.db2.gz DABXNEZNMIQRFL-HIFRSBDPSA-N 2 2 232.371 2.856 40 0 BFABLP CC[NH+](CC)c1ccc([C@H]2C[C@@H]2C[NH3+])cc1 ZINC000062494920 385173272 /nfs/dbraw/zinc/17/32/72/385173272.db2.gz IZPPELIVXYQZQR-TZMCWYRMSA-N 2 2 218.344 2.595 40 0 BFABLP c1coc(C[N@@H+](C[C@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000096523683 385268301 /nfs/dbraw/zinc/26/83/01/385268301.db2.gz JRJXADMNCCBORM-CYBMUJFWSA-N 2 2 248.370 2.776 40 0 BFABLP c1coc(C[N@H+](C[C@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000096523683 385268307 /nfs/dbraw/zinc/26/83/07/385268307.db2.gz JRJXADMNCCBORM-CYBMUJFWSA-N 2 2 248.370 2.776 40 0 BFABLP CC[N@H+](C[C@H]([NH3+])CCSC)C1CCCCC1 ZINC000096523868 385271944 /nfs/dbraw/zinc/27/19/44/385271944.db2.gz UEMCHYRWCXPGHN-GFCCVEGCSA-N 2 2 244.448 2.721 40 0 BFABLP CC[N@@H+](C[C@H]([NH3+])CCSC)C1CCCCC1 ZINC000096523868 385271949 /nfs/dbraw/zinc/27/19/49/385271949.db2.gz UEMCHYRWCXPGHN-GFCCVEGCSA-N 2 2 244.448 2.721 40 0 BFABLP C[NH2+][C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000079438618 387854377 /nfs/dbraw/zinc/85/43/77/387854377.db2.gz DGTDJSRJDUTUEK-ZWIJEDICSA-N 2 2 244.382 2.774 40 0 BFABLP C[NH2+][C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000079438618 387854381 /nfs/dbraw/zinc/85/43/81/387854381.db2.gz DGTDJSRJDUTUEK-ZWIJEDICSA-N 2 2 244.382 2.774 40 0 BFABLP [NH3+]CC[C@H]1CCCc2c1[nH+]cn2-c1ccccc1 ZINC000217783885 388381558 /nfs/dbraw/zinc/38/15/58/388381558.db2.gz JSSFBKVYQHKFQI-GFCCVEGCSA-N 2 2 241.338 2.641 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252470010 388652877 /nfs/dbraw/zinc/65/28/77/388652877.db2.gz KKIVHKXLMQQSPC-LJISPDSOSA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252470010 388652878 /nfs/dbraw/zinc/65/28/78/388652878.db2.gz KKIVHKXLMQQSPC-LJISPDSOSA-N 2 2 238.419 2.872 40 0 BFABLP Cc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1C ZINC000095532270 388776716 /nfs/dbraw/zinc/77/67/16/388776716.db2.gz UQRQNEQUMXFKIZ-HNNXBMFYSA-N 2 2 232.371 2.789 40 0 BFABLP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000053648916 167113610 /nfs/dbraw/zinc/11/36/10/167113610.db2.gz DOYPTDAMDJEVFG-HNNXBMFYSA-N 2 2 232.371 2.649 40 0 BFABLP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000053648916 167113612 /nfs/dbraw/zinc/11/36/12/167113612.db2.gz DOYPTDAMDJEVFG-HNNXBMFYSA-N 2 2 232.371 2.649 40 0 BFABLP CC1CC[NH+]([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000038916562 168188084 /nfs/dbraw/zinc/18/80/84/168188084.db2.gz LWGHCPPOLRADMS-CQSZACIVSA-N 2 2 236.334 2.557 40 0 BFABLP CCn1c(CCC[NH3+])[nH+]c2cccc(Cl)c21 ZINC000037443983 172143108 /nfs/dbraw/zinc/14/31/08/172143108.db2.gz JDOJFZAQVPRKPJ-UHFFFAOYSA-N 2 2 237.734 2.601 40 0 BFABLP CC[C@H](C)[C@@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034584 487720587 /nfs/dbraw/zinc/72/05/87/487720587.db2.gz VNSBHYAEYKTNTB-KBPBESRZSA-N 2 2 228.424 2.974 40 0 BFABLP CCCC[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000062718682 343744673 /nfs/dbraw/zinc/74/46/73/343744673.db2.gz HALNHKNBXWOGAB-UHFFFAOYSA-N 2 2 231.343 2.885 40 0 BFABLP Cc1cccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000038827629 179198404 /nfs/dbraw/zinc/19/84/04/179198404.db2.gz WGZCZGXGPLENLO-HNNXBMFYSA-N 2 2 232.371 2.727 40 0 BFABLP CCC[C@@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034652 259493847 /nfs/dbraw/zinc/49/38/47/259493847.db2.gz QCVLNHULVOHKBQ-CYBMUJFWSA-N 2 2 214.397 2.728 40 0 BFABLP CCC[C@@H]([NH3+])C[N@H+](CCC)Cc1ccco1 ZINC000096523980 169393258 /nfs/dbraw/zinc/39/32/58/169393258.db2.gz BEBLHJROPMQYPF-GFCCVEGCSA-N 2 2 224.348 2.619 40 0 BFABLP CCC[C@@H]([NH3+])C[N@@H+](CCC)Cc1ccco1 ZINC000096523980 169393259 /nfs/dbraw/zinc/39/32/59/169393259.db2.gz BEBLHJROPMQYPF-GFCCVEGCSA-N 2 2 224.348 2.619 40 0 BFABLP CCN(C(=[NH2+])C[NH+](CC)CC)c1ccccc1 ZINC000001625184 383915578 /nfs/dbraw/zinc/91/55/78/383915578.db2.gz LJFGHUIRQVPCAJ-UHFFFAOYSA-N 2 2 233.359 2.832 40 0 BFABLP c1ccc([C@@H]2CC[NH2+][C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000039982824 384124931 /nfs/dbraw/zinc/12/49/31/384124931.db2.gz NEMBOXPYMBMMTE-HZPDHXFCSA-N 2 2 244.382 2.618 40 0 BFABLP CC[C@H](C)n1c2ccccc2[nH+]c1CCC[NH3+] ZINC000040163862 384544148 /nfs/dbraw/zinc/54/41/48/384544148.db2.gz LMMRRMGIFSJQDL-NSHDSACASA-N 2 2 231.343 2.899 40 0 BFABLP c1coc(C[N@@H+](C[C@@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000096523682 385269149 /nfs/dbraw/zinc/26/91/49/385269149.db2.gz JRJXADMNCCBORM-ZDUSSCGKSA-N 2 2 248.370 2.776 40 0 BFABLP c1coc(C[N@H+](C[C@@H]2CCC[NH2+]2)C2CCCC2)c1 ZINC000096523682 385269153 /nfs/dbraw/zinc/26/91/53/385269153.db2.gz JRJXADMNCCBORM-ZDUSSCGKSA-N 2 2 248.370 2.776 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+](CCC)Cc1ccco1 ZINC000096523979 385271385 /nfs/dbraw/zinc/27/13/85/385271385.db2.gz BEBLHJROPMQYPF-LBPRGKRZSA-N 2 2 224.348 2.619 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+](CCC)Cc1ccco1 ZINC000096523979 385271392 /nfs/dbraw/zinc/27/13/92/385271392.db2.gz BEBLHJROPMQYPF-LBPRGKRZSA-N 2 2 224.348 2.619 40 0 BFABLP Cc1[nH+]c(C2CC[NH2+]CC2)c2sc(C)c(C)n12 ZINC000257344507 388698578 /nfs/dbraw/zinc/69/85/78/388698578.db2.gz ZXQBAUXVVKAZRM-UHFFFAOYSA-N 2 2 249.383 2.788 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000242425533 388718971 /nfs/dbraw/zinc/71/89/71/388718971.db2.gz BNTIPNUKXBIXGB-KKUMJFAQSA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000242425533 388718976 /nfs/dbraw/zinc/71/89/76/388718976.db2.gz BNTIPNUKXBIXGB-KKUMJFAQSA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000242425532 388719379 /nfs/dbraw/zinc/71/93/79/388719379.db2.gz BNTIPNUKXBIXGB-ILXRZTDVSA-N 2 2 238.419 2.872 40 0 BFABLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000242425532 388719380 /nfs/dbraw/zinc/71/93/80/388719380.db2.gz BNTIPNUKXBIXGB-ILXRZTDVSA-N 2 2 238.419 2.872 40 0 BFABLP CC[NH+](CC)[C@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037179876 397971449 /nfs/dbraw/zinc/97/14/49/397971449.db2.gz BYVOKHPWVFBFJD-CQSZACIVSA-N 2 2 220.360 2.645 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000062494919 169804979 /nfs/dbraw/zinc/80/49/79/169804979.db2.gz IZPPELIVXYQZQR-OCCSQVGLSA-N 2 2 218.344 2.595 40 0 BFABLP CC1CC[NH+]([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000038916561 168186438 /nfs/dbraw/zinc/18/64/38/168186438.db2.gz LWGHCPPOLRADMS-AWEZNQCLSA-N 2 2 236.334 2.557 40 0 BFABLP CC[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000053650736 170120172 /nfs/dbraw/zinc/12/01/72/170120172.db2.gz CQVVRSPUGIPISN-HNNXBMFYSA-N 2 2 232.371 2.651 40 0 BFABLP CC[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000053650736 170120174 /nfs/dbraw/zinc/12/01/74/170120174.db2.gz CQVVRSPUGIPISN-HNNXBMFYSA-N 2 2 232.371 2.651 40 0 BFABLP CC[NH2+][C@H]1CC[N@H+](C)Cc2ccc(Cl)cc21 ZINC000096510457 170166575 /nfs/dbraw/zinc/16/65/75/170166575.db2.gz JPAXYNDVBWVCOP-ZDUSSCGKSA-N 2 2 238.762 2.826 40 0 BFABLP CC[NH2+][C@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21 ZINC000096510457 170166577 /nfs/dbraw/zinc/16/65/77/170166577.db2.gz JPAXYNDVBWVCOP-ZDUSSCGKSA-N 2 2 238.762 2.826 40 0 BFABLP CCn1c2cc(C)c(C)cc2[nH+]c1CCC[NH3+] ZINC000019750702 172143682 /nfs/dbraw/zinc/14/36/82/172143682.db2.gz VIBWHCBRMAKBLH-UHFFFAOYSA-N 2 2 231.343 2.564 40 0 BFABLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCCC[NH2+]1 ZINC000040487620 176116301 /nfs/dbraw/zinc/11/63/01/176116301.db2.gz DPQMTMQEYUBYSU-MCIONIFRSA-N 2 2 224.392 2.782 40 0 BFABLP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810177 347776230 /nfs/dbraw/zinc/77/62/30/347776230.db2.gz KKIVHKXLMQQSPC-BARDWOONSA-N 2 2 238.419 2.872 40 0 BFABLP CC[C@@H](C)[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810177 347776231 /nfs/dbraw/zinc/77/62/31/347776231.db2.gz KKIVHKXLMQQSPC-BARDWOONSA-N 2 2 238.419 2.872 40 0 BFABLP Cc1ccccc1[N+]1=NCC2=C1C1=[N+](C=CC1)C2 ZINC000096305386 179352826 /nfs/dbraw/zinc/35/28/26/179352826.db2.gz YFCSRYFEUHJHFW-UHFFFAOYSA-N 2 2 237.306 2.743 40 0 BFABLP CCOc1ccccc1[C@@H](C[NH3+])[NH+]1CCCCC1 ZINC000038827640 350323739 /nfs/dbraw/zinc/32/37/39/350323739.db2.gz LOXXZSDJVWKOOL-CQSZACIVSA-N 2 2 248.370 2.571 40 0 BFABLP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccc1Cl ZINC000038539668 362964881 /nfs/dbraw/zinc/96/48/81/362964881.db2.gz GIWIYONEJOHEEO-UHFFFAOYSA-N 2 2 238.762 2.572 40 0 BFABLP CCC[N@@H+](Cc1ccco1)C[C@@H]([NH3+])[C@@H](C)CC ZINC000096523962 169179915 /nfs/dbraw/zinc/17/99/15/169179915.db2.gz JQQBLKOMBMKRRE-GXTWGEPZSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[N@H+](Cc1ccco1)C[C@@H]([NH3+])[C@@H](C)CC ZINC000096523962 169179916 /nfs/dbraw/zinc/17/99/16/169179916.db2.gz JQQBLKOMBMKRRE-GXTWGEPZSA-N 2 2 238.375 2.865 40 0 BFABLP c1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000079438008 183397165 /nfs/dbraw/zinc/39/71/65/183397165.db2.gz XKZOLVAAKWLWKB-HNNXBMFYSA-N 2 2 244.382 2.793 40 0 BFABLP c1ccc(C[N@H+](C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000079438008 183397167 /nfs/dbraw/zinc/39/71/67/183397167.db2.gz XKZOLVAAKWLWKB-HNNXBMFYSA-N 2 2 244.382 2.793 40 0 BFABLP Cc1ccc2[nH]c(C3CC[NH+](C)CC3)[nH+]c2c1 ZINC000072367682 384214774 /nfs/dbraw/zinc/21/47/74/384214774.db2.gz AZUYKXGEZJBKSF-UHFFFAOYSA-N 2 2 229.327 2.681 40 0 BFABLP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000219809722 384481826 /nfs/dbraw/zinc/48/18/26/384481826.db2.gz DZJHDJOAIHYPNT-UKRRQHHQSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)c1 ZINC000219809722 384481833 /nfs/dbraw/zinc/48/18/33/384481833.db2.gz DZJHDJOAIHYPNT-UKRRQHHQSA-N 2 2 232.371 2.727 40 0 BFABLP CC[NH+](CC)c1ccc([C@@H]2C[C@H]2C[NH2+]C)cc1 ZINC000062494909 385172566 /nfs/dbraw/zinc/17/25/66/385172566.db2.gz DABXNEZNMIQRFL-ZFWWWQNUSA-N 2 2 232.371 2.856 40 0 BFABLP CC(C)[C@@H]([NH3+])C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000096523740 385268801 /nfs/dbraw/zinc/26/88/01/385268801.db2.gz KRUGHDNGJHKDFD-INIZCTEOSA-N 2 2 244.382 2.759 40 0 BFABLP CC(C)[C@@H]([NH3+])C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000096523740 385268806 /nfs/dbraw/zinc/26/88/06/385268806.db2.gz KRUGHDNGJHKDFD-INIZCTEOSA-N 2 2 244.382 2.759 40 0 BFABLP Cc1c[nH]c([C@H]2CCC[N@H+](CC3CCC3)C2)[nH+]1 ZINC000257340404 385763804 /nfs/dbraw/zinc/76/38/04/385763804.db2.gz ZFXGYHPCUAPVDA-ZDUSSCGKSA-N 2 2 233.359 2.698 40 0 BFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CC3CCC3)C2)[nH+]1 ZINC000257340404 385763809 /nfs/dbraw/zinc/76/38/09/385763809.db2.gz ZFXGYHPCUAPVDA-ZDUSSCGKSA-N 2 2 233.359 2.698 40 0 BFABLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000072411132 388639822 /nfs/dbraw/zinc/63/98/22/388639822.db2.gz IBXAZXXRKXCENX-CHWSQXEVSA-N 2 2 238.762 2.700 40 0 BFABLP C1CCC([N@@H+]2CC[NH2+][C@@H]3CCCC[C@@H]32)CC1 ZINC000225711419 388840801 /nfs/dbraw/zinc/84/08/01/388840801.db2.gz KLNNTSMKRXXOKT-KGLIPLIRSA-N 2 2 222.376 2.536 40 0 BFABLP C1CCC([N@H+]2CC[NH2+][C@@H]3CCCC[C@@H]32)CC1 ZINC000225711419 388840804 /nfs/dbraw/zinc/84/08/04/388840804.db2.gz KLNNTSMKRXXOKT-KGLIPLIRSA-N 2 2 222.376 2.536 40 0 BFABLP CC[NH2+][C@@H]1CC[N@H+](C)Cc2ccc(Cl)cc21 ZINC000096510456 170152029 /nfs/dbraw/zinc/15/20/29/170152029.db2.gz JPAXYNDVBWVCOP-CYBMUJFWSA-N 2 2 238.762 2.826 40 0 BFABLP CC[NH2+][C@@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21 ZINC000096510456 170152030 /nfs/dbraw/zinc/15/20/30/170152030.db2.gz JPAXYNDVBWVCOP-CYBMUJFWSA-N 2 2 238.762 2.826 40 0 BFABLP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2cccc(F)c2)C1 ZINC000251569953 398298564 /nfs/dbraw/zinc/29/85/64/398298564.db2.gz AQJWATPQMKGMEX-BXUZGUMPSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2cccc(F)c2)C1 ZINC000251569953 398298565 /nfs/dbraw/zinc/29/85/65/398298565.db2.gz AQJWATPQMKGMEX-BXUZGUMPSA-N 2 2 236.334 2.557 40 0 BFABLP CCCn1c2cc(C)c(C)cc2[nH+]c1CCC[NH3+] ZINC000019750690 342956339 /nfs/dbraw/zinc/95/63/39/342956339.db2.gz KHBXCMXCGUXIDP-UHFFFAOYSA-N 2 2 245.370 2.954 40 0 BFABLP Clc1ccc2[nH]c(CC3CC[NH2+]CC3)[nH+]c2c1 ZINC000015423959 347112805 /nfs/dbraw/zinc/11/28/05/347112805.db2.gz HSOZVULSCLJYEQ-UHFFFAOYSA-N 2 2 249.745 2.758 40 0 BFABLP C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000108018392 369371149 /nfs/dbraw/zinc/37/11/49/369371149.db2.gz DABCZYVSGXTBSE-SMDDNHRTSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000108018392 369371152 /nfs/dbraw/zinc/37/11/52/369371152.db2.gz DABCZYVSGXTBSE-SMDDNHRTSA-N 2 2 236.334 2.557 40 0 BFABLP CCC[N@@H+](Cc1ccco1)C[C@@H]([NH3+])CC(C)C ZINC000096523758 169178703 /nfs/dbraw/zinc/17/87/03/169178703.db2.gz PXKDHLKIFDFYLN-ZDUSSCGKSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[N@H+](Cc1ccco1)C[C@@H]([NH3+])CC(C)C ZINC000096523758 169178705 /nfs/dbraw/zinc/17/87/05/169178705.db2.gz PXKDHLKIFDFYLN-ZDUSSCGKSA-N 2 2 238.375 2.865 40 0 BFABLP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000043816431 383911254 /nfs/dbraw/zinc/91/12/54/383911254.db2.gz QUQVXIHJGYMLCS-GJZGRUSLSA-N 2 2 232.371 2.649 40 0 BFABLP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000043816431 383911262 /nfs/dbraw/zinc/91/12/62/383911262.db2.gz QUQVXIHJGYMLCS-GJZGRUSLSA-N 2 2 232.371 2.649 40 0 BFABLP Cc1cc(C2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000072356955 384211353 /nfs/dbraw/zinc/21/13/53/384211353.db2.gz UGECPKVQULQRSZ-UHFFFAOYSA-N 2 2 218.344 2.978 40 0 BFABLP [NH3+]CCc1[nH+]c(-c2ccccc2)n2ccccc12 ZINC000011569830 384419457 /nfs/dbraw/zinc/41/94/57/384419457.db2.gz PWTYSHQJKMAVEV-UHFFFAOYSA-N 2 2 237.306 2.503 40 0 BFABLP CC[C@@H](C)n1c2ccccc2[nH+]c1CCC[NH3+] ZINC000040163861 384544233 /nfs/dbraw/zinc/54/42/33/384544233.db2.gz LMMRRMGIFSJQDL-LLVKDONJSA-N 2 2 231.343 2.899 40 0 BFABLP CC[NH+](CC)c1ccc([C@H]2C[C@@H]2C[NH2+]C)cc1 ZINC000062494908 385173587 /nfs/dbraw/zinc/17/35/87/385173587.db2.gz DABXNEZNMIQRFL-UKRRQHHQSA-N 2 2 232.371 2.856 40 0 BFABLP CCC[C@H]([NH3+])C[NH+](CC(C)C)CC(C)C ZINC000042034650 387292040 /nfs/dbraw/zinc/29/20/40/387292040.db2.gz QCVLNHULVOHKBQ-ZDUSSCGKSA-N 2 2 214.397 2.728 40 0 BFABLP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000072411128 388639804 /nfs/dbraw/zinc/63/98/04/388639804.db2.gz IBXAZXXRKXCENX-QWHCGFSZSA-N 2 2 238.762 2.700 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470051 388652303 /nfs/dbraw/zinc/65/23/03/388652303.db2.gz UAQKEJZZPGARJA-IHRRRGAJSA-N 2 2 224.392 2.626 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470051 388652306 /nfs/dbraw/zinc/65/23/06/388652306.db2.gz UAQKEJZZPGARJA-IHRRRGAJSA-N 2 2 224.392 2.626 40 0 BFABLP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000053648917 167115696 /nfs/dbraw/zinc/11/56/96/167115696.db2.gz DOYPTDAMDJEVFG-OAHLLOKOSA-N 2 2 232.371 2.649 40 0 BFABLP CC(C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000053648917 167115698 /nfs/dbraw/zinc/11/56/98/167115698.db2.gz DOYPTDAMDJEVFG-OAHLLOKOSA-N 2 2 232.371 2.649 40 0 BFABLP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000022163605 176102829 /nfs/dbraw/zinc/10/28/29/176102829.db2.gz AQJWATPQMKGMEX-RISCZKNCSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000022163605 176102830 /nfs/dbraw/zinc/10/28/30/176102830.db2.gz AQJWATPQMKGMEX-RISCZKNCSA-N 2 2 236.334 2.557 40 0 BFABLP Cc1ccccc1[C@@](C)(C[NH3+])[NH+]1CCCCC1 ZINC000070453398 259313906 /nfs/dbraw/zinc/31/39/06/259313906.db2.gz ISUVNSUWUKPIGJ-OAHLLOKOSA-N 2 2 232.371 2.655 40 0 BFABLP CCC[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108276139 369384730 /nfs/dbraw/zinc/38/47/30/369384730.db2.gz UAQKEJZZPGARJA-MCIONIFRSA-N 2 2 224.392 2.626 40 0 BFABLP CCC[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108276139 369384734 /nfs/dbraw/zinc/38/47/34/369384734.db2.gz UAQKEJZZPGARJA-MCIONIFRSA-N 2 2 224.392 2.626 40 0 BFABLP CCC[NH+](CCC)CC1([NH3+])CCCCC1 ZINC000020072277 169148097 /nfs/dbraw/zinc/14/80/97/169148097.db2.gz KRAKCJXJNFTDLO-UHFFFAOYSA-N 2 2 212.381 2.770 40 0 BFABLP CC(C)[N@H+](CC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000079421278 384143903 /nfs/dbraw/zinc/14/39/03/384143903.db2.gz ZTYMKJBOIWOJED-LLVKDONJSA-N 2 2 224.323 2.556 40 0 BFABLP CC(C)[N@@H+](CC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000079421278 384143910 /nfs/dbraw/zinc/14/39/10/384143910.db2.gz ZTYMKJBOIWOJED-LLVKDONJSA-N 2 2 224.323 2.556 40 0 BFABLP CC[NH+](CC)c1ccc([C@H]2C[C@H]2C[NH3+])cc1 ZINC000062494922 385173636 /nfs/dbraw/zinc/17/36/36/385173636.db2.gz IZPPELIVXYQZQR-GXTWGEPZSA-N 2 2 218.344 2.595 40 0 BFABLP Cc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038827563 385676342 /nfs/dbraw/zinc/67/63/42/385676342.db2.gz VZNUIVSRDUUPPL-DZGCQCFKSA-N 2 2 232.371 2.727 40 0 BFABLP Cc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038827563 385676349 /nfs/dbraw/zinc/67/63/49/385676349.db2.gz VZNUIVSRDUUPPL-DZGCQCFKSA-N 2 2 232.371 2.727 40 0 BFABLP c1ccc2[nH+]c(CCC[NH+]3CCCCC3)[nH]c2c1 ZINC000001477242 388586263 /nfs/dbraw/zinc/58/62/63/388586263.db2.gz HYGBHJLTBPTDMR-UHFFFAOYSA-N 2 2 243.354 2.981 40 0 BFABLP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000072411130 388639809 /nfs/dbraw/zinc/63/98/09/388639809.db2.gz IBXAZXXRKXCENX-STQMWFEESA-N 2 2 238.762 2.700 40 0 BFABLP CCc1[nH+]c2ccccc2n1C[C@H]1CCCC[NH2+]1 ZINC000062807721 388657708 /nfs/dbraw/zinc/65/77/08/388657708.db2.gz ZLFNERUFAGXELK-GFCCVEGCSA-N 2 2 243.354 2.741 40 0 BFABLP Cc1ccoc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261562173 135203652 /nfs/dbraw/zinc/20/36/52/135203652.db2.gz GIQTUKDIFQPHMF-KBPBESRZSA-N 2 2 242.322 2.822 40 0 BFABLP Cc1ccoc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261562174 135203839 /nfs/dbraw/zinc/20/38/39/135203839.db2.gz GIQTUKDIFQPHMF-KGLIPLIRSA-N 2 2 242.322 2.822 40 0 BFABLP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000242463397 398313756 /nfs/dbraw/zinc/31/37/56/398313756.db2.gz DABCZYVSGXTBSE-BXUZGUMPSA-N 2 2 236.334 2.557 40 0 BFABLP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000242463397 398313758 /nfs/dbraw/zinc/31/37/58/398313758.db2.gz DABCZYVSGXTBSE-BXUZGUMPSA-N 2 2 236.334 2.557 40 0 BFABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037179874 349769569 /nfs/dbraw/zinc/76/95/69/349769569.db2.gz BYVOKHPWVFBFJD-AWEZNQCLSA-N 2 2 220.360 2.645 40 0 BFABLP CC(C)[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032015302 343290382 /nfs/dbraw/zinc/29/03/82/343290382.db2.gz HTHYNQZBLFIKAU-UHFFFAOYSA-N 2 2 226.751 2.509 40 0 BFABLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032015302 343290385 /nfs/dbraw/zinc/29/03/85/343290385.db2.gz HTHYNQZBLFIKAU-UHFFFAOYSA-N 2 2 226.751 2.509 40 0 BFABLP Cc1cccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000038827628 179184633 /nfs/dbraw/zinc/18/46/33/179184633.db2.gz WGZCZGXGPLENLO-OAHLLOKOSA-N 2 2 232.371 2.727 40 0 BFABLP C1CCC([N@@H+]2CC[NH2+][C@@H]3CCCC[C@H]32)CC1 ZINC000218827589 187390379 /nfs/dbraw/zinc/39/03/79/187390379.db2.gz KLNNTSMKRXXOKT-ZIAGYGMSSA-N 2 2 222.376 2.536 40 0 BFABLP C1CCC([N@H+]2CC[NH2+][C@@H]3CCCC[C@H]32)CC1 ZINC000218827589 187390381 /nfs/dbraw/zinc/39/03/81/187390381.db2.gz KLNNTSMKRXXOKT-ZIAGYGMSSA-N 2 2 222.376 2.536 40 0 BFABLP CCC[N@@H+](Cc1ccco1)C[C@H]([NH3+])[C@@H](C)CC ZINC000096523961 169178412 /nfs/dbraw/zinc/17/84/12/169178412.db2.gz JQQBLKOMBMKRRE-JSGCOSHPSA-N 2 2 238.375 2.865 40 0 BFABLP CCC[N@H+](Cc1ccco1)C[C@H]([NH3+])[C@@H](C)CC ZINC000096523961 169178415 /nfs/dbraw/zinc/17/84/15/169178415.db2.gz JQQBLKOMBMKRRE-JSGCOSHPSA-N 2 2 238.375 2.865 40 0 BFABLP CC[NH+](CC)c1ccc([C@H]2C[C@H]2C[NH2+]C)cc1 ZINC000062494910 385172423 /nfs/dbraw/zinc/17/24/23/385172423.db2.gz DABXNEZNMIQRFL-DZGCQCFKSA-N 2 2 232.371 2.856 40 0 BFABLP CCC[C@@H]([NH3+])C[N@H+](CC)C1CCCCC1 ZINC000036873565 385588824 /nfs/dbraw/zinc/58/88/24/385588824.db2.gz BRNZWPHGIOSMBX-GFCCVEGCSA-N 2 2 212.381 2.768 40 0 BFABLP CCC[C@@H]([NH3+])C[N@@H+](CC)C1CCCCC1 ZINC000036873565 385588826 /nfs/dbraw/zinc/58/88/26/385588826.db2.gz BRNZWPHGIOSMBX-GFCCVEGCSA-N 2 2 212.381 2.768 40 0 BFABLP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000095067826 388590776 /nfs/dbraw/zinc/59/07/76/388590776.db2.gz DEZKBLHWBOYCNS-ZDUSSCGKSA-N 2 2 238.762 2.524 40 0 BFABLP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000095067826 388590779 /nfs/dbraw/zinc/59/07/79/388590779.db2.gz DEZKBLHWBOYCNS-ZDUSSCGKSA-N 2 2 238.762 2.524 40 0 BFABLP CCc1[nH+]c2ccccc2n1C[C@@H]1CCCC[NH2+]1 ZINC000062807720 388657715 /nfs/dbraw/zinc/65/77/15/388657715.db2.gz ZLFNERUFAGXELK-LBPRGKRZSA-N 2 2 243.354 2.741 40 0 BFABLP CC(C)C[NH+](CC(C)C)C[C@@H]1CCCC[NH2+]1 ZINC000042034602 487720540 /nfs/dbraw/zinc/72/05/40/487720540.db2.gz IJDXGAVNCZTKGD-AWEZNQCLSA-N 2 2 226.408 2.743 40 0 BFABLP [NH3+]C1(C[NH+]2CCCCCCC2)CCCCC1 ZINC000021816457 323090743 /nfs/dbraw/zinc/09/07/43/323090743.db2.gz PSZIFCOLQGOUGL-UHFFFAOYSA-N 2 2 224.392 2.914 40 0 BFABLP