smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O[C@H]2CCC[NH2+]C2)c2ccccc2[nH+]1 ZINC000051872547 178214310 /nfs/dbraw/zinc/21/43/10/178214310.db2.gz RYSNHGHTDIMMEC-LBPRGKRZSA-N 2 2 242.322 2.674 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCCCC2)ccc1F ZINC000050545860 178235583 /nfs/dbraw/zinc/23/55/83/178235583.db2.gz VYMIMPZYBQKTSB-CQSZACIVSA-N 2 2 236.334 2.620 10 0 BFAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)C(C)C)c(C)s1 ZINC000049687214 178261588 /nfs/dbraw/zinc/26/15/88/178261588.db2.gz HPKWIXGJZYMPRN-LBPRGKRZSA-N 2 2 226.389 2.705 10 0 BFAELP Cc1cc([C@H](C[NH3+])[N@H+](C)C(C)C)c(C)s1 ZINC000049687214 178261591 /nfs/dbraw/zinc/26/15/91/178261591.db2.gz HPKWIXGJZYMPRN-LBPRGKRZSA-N 2 2 226.389 2.705 10 0 BFAELP CCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000040502845 343998764 /nfs/dbraw/zinc/99/87/64/343998764.db2.gz HCWQWYQIFZTMBQ-OLZOCXBDSA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000040502845 343998767 /nfs/dbraw/zinc/99/87/67/343998767.db2.gz HCWQWYQIFZTMBQ-OLZOCXBDSA-N 2 2 212.381 2.639 10 0 BFAELP c1[nH+]c2c(n1[C@H]1CC[N@@H+](C3CCC3)C1)CCCC2 ZINC000335862896 344034859 /nfs/dbraw/zinc/03/48/59/344034859.db2.gz ICHNHFZGFQZGLL-ZDUSSCGKSA-N 2 2 245.370 2.561 10 0 BFAELP c1[nH+]c2c(n1[C@H]1CC[N@H+](C3CCC3)C1)CCCC2 ZINC000335862896 344034860 /nfs/dbraw/zinc/03/48/60/344034860.db2.gz ICHNHFZGFQZGLL-ZDUSSCGKSA-N 2 2 245.370 2.561 10 0 BFAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)[C@@H](C)C2CC2)C1 ZINC000054555062 187271760 /nfs/dbraw/zinc/27/17/60/187271760.db2.gz YGCABBIWAYHYTH-PMOUVXMZSA-N 2 2 238.419 2.869 10 0 BFAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)[C@@H](C)C2CC2)C1 ZINC000054555062 187271762 /nfs/dbraw/zinc/27/17/62/187271762.db2.gz YGCABBIWAYHYTH-PMOUVXMZSA-N 2 2 238.419 2.869 10 0 BFAELP [NH3+]C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1Cl ZINC000044471696 345090094 /nfs/dbraw/zinc/09/00/94/345090094.db2.gz HEJLOBZLVLFIGG-ZETCQYMHSA-N 2 2 239.533 2.605 10 0 BFAELP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)ccc1Cl ZINC000675054011 537891397 /nfs/dbraw/zinc/89/13/97/537891397.db2.gz LJYLKSVFFRRPIM-AAEUAGOBSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)ccc1Cl ZINC000675054011 537891400 /nfs/dbraw/zinc/89/14/00/537891400.db2.gz LJYLKSVFFRRPIM-AAEUAGOBSA-N 2 2 238.762 2.742 10 0 BFAELP CC(C)C[C@@](C)(C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000019807803 187314500 /nfs/dbraw/zinc/31/45/00/187314500.db2.gz LLQIQJUTQHYNGA-MCIONIFRSA-N 2 2 226.408 2.728 10 0 BFAELP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000236196533 346206427 /nfs/dbraw/zinc/20/64/27/346206427.db2.gz LRCXMKDCALFVTJ-OAHLLOKOSA-N 2 2 230.355 2.556 10 0 BFAELP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000236196533 346206428 /nfs/dbraw/zinc/20/64/28/346206428.db2.gz LRCXMKDCALFVTJ-OAHLLOKOSA-N 2 2 230.355 2.556 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCC2)c1 ZINC000061453804 179184774 /nfs/dbraw/zinc/18/47/74/179184774.db2.gz DXULQTYUOQLBAM-OAHLLOKOSA-N 2 2 232.371 2.727 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCC2)c1 ZINC000061453804 179184794 /nfs/dbraw/zinc/18/47/94/179184794.db2.gz DXULQTYUOQLBAM-OAHLLOKOSA-N 2 2 232.371 2.727 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C(C)C)c1C ZINC000043314439 179198752 /nfs/dbraw/zinc/19/87/52/179198752.db2.gz CWDYZVXNZMBICJ-AWEZNQCLSA-N 2 2 220.360 2.643 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C(C)C)c1C ZINC000043314439 179198757 /nfs/dbraw/zinc/19/87/57/179198757.db2.gz CWDYZVXNZMBICJ-AWEZNQCLSA-N 2 2 220.360 2.643 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000036785020 179199314 /nfs/dbraw/zinc/19/93/14/179199314.db2.gz BWKBJMPYSRCJOA-WFASDCNBSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000036785020 179199317 /nfs/dbraw/zinc/19/93/17/179199317.db2.gz BWKBJMPYSRCJOA-WFASDCNBSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019947394 179321199 /nfs/dbraw/zinc/32/11/99/179321199.db2.gz YTJKXKIFVMIDCA-CZUORRHYSA-N 2 2 244.382 2.740 10 0 BFAELP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019947402 179323177 /nfs/dbraw/zinc/32/31/77/179323177.db2.gz YTJKXKIFVMIDCA-CJNGLKHVSA-N 2 2 244.382 2.740 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000020225462 179341769 /nfs/dbraw/zinc/34/17/69/179341769.db2.gz ZNZQMZZIVGFZDN-AWEZNQCLSA-N 2 2 220.360 2.583 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)CC(C)C ZINC000020225462 179341770 /nfs/dbraw/zinc/34/17/70/179341770.db2.gz ZNZQMZZIVGFZDN-AWEZNQCLSA-N 2 2 220.360 2.583 10 0 BFAELP C1CC12[C@H]([NH2+]C1CCCCC1)C1CC[NH+]2CC1 ZINC000616579638 349167735 /nfs/dbraw/zinc/16/77/35/349167735.db2.gz VBQJFQHLNUPQAJ-CQSZACIVSA-N 2 2 234.387 2.536 10 0 BFAELP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000226270857 350412134 /nfs/dbraw/zinc/41/21/34/350412134.db2.gz DRDHLDXJDRCCLN-FRRDWIJNSA-N 2 2 226.408 2.741 10 0 BFAELP CC(C)[N@@H+]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616600591 350778413 /nfs/dbraw/zinc/77/84/13/350778413.db2.gz HBUWAZJHCJTRJD-CYBMUJFWSA-N 2 2 233.359 2.756 10 0 BFAELP CC(C)[N@H+]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616600591 350778417 /nfs/dbraw/zinc/77/84/17/350778417.db2.gz HBUWAZJHCJTRJD-CYBMUJFWSA-N 2 2 233.359 2.756 10 0 BFAELP CC(C)(C)[N@@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616604980 350794180 /nfs/dbraw/zinc/79/41/80/350794180.db2.gz IPLPCDDPKPPARC-CYBMUJFWSA-N 2 2 247.386 2.862 10 0 BFAELP CC(C)(C)[N@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616604980 350794181 /nfs/dbraw/zinc/79/41/81/350794181.db2.gz IPLPCDDPKPPARC-CYBMUJFWSA-N 2 2 247.386 2.862 10 0 BFAELP CSc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000034938052 351353234 /nfs/dbraw/zinc/35/32/34/351353234.db2.gz YYVAHXGAEUQGEG-ZDUSSCGKSA-N 2 2 236.384 2.504 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394865095 351858999 /nfs/dbraw/zinc/85/89/99/351858999.db2.gz ONQSKTUWJVAGJQ-UONOGXRCSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394865095 351859001 /nfs/dbraw/zinc/85/90/01/351859001.db2.gz ONQSKTUWJVAGJQ-UONOGXRCSA-N 2 2 236.403 2.783 10 0 BFAELP Cc1sccc1[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000307355915 352323963 /nfs/dbraw/zinc/32/39/63/352323963.db2.gz UTAJQXYNRHYKMN-CQSZACIVSA-N 2 2 246.379 2.846 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300984490 352582012 /nfs/dbraw/zinc/58/20/12/352582012.db2.gz USVVZQZYTHUORN-UONOGXRCSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300984490 352582015 /nfs/dbraw/zinc/58/20/15/352582015.db2.gz USVVZQZYTHUORN-UONOGXRCSA-N 2 2 226.408 2.743 10 0 BFAELP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036787554 188285805 /nfs/dbraw/zinc/28/58/05/188285805.db2.gz QWEGFUWSQHZKMY-AJNGGQMLSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036787554 188285807 /nfs/dbraw/zinc/28/58/07/188285807.db2.gz QWEGFUWSQHZKMY-AJNGGQMLSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc([C@H]2C[C@H]2C)o1 ZINC000036879103 188285847 /nfs/dbraw/zinc/28/58/47/188285847.db2.gz AWKRKPSVFQYUAU-GRYCIOLGSA-N 2 2 236.359 2.743 10 0 BFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc([C@H]2C[C@H]2C)o1 ZINC000036879103 188285849 /nfs/dbraw/zinc/28/58/49/188285849.db2.gz AWKRKPSVFQYUAU-GRYCIOLGSA-N 2 2 236.359 2.743 10 0 BFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022171606 188355840 /nfs/dbraw/zinc/35/58/40/188355840.db2.gz QOVUXKPUOBPTIU-GFCCVEGCSA-N 2 2 226.751 2.680 10 0 BFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022171606 188355841 /nfs/dbraw/zinc/35/58/41/188355841.db2.gz QOVUXKPUOBPTIU-GFCCVEGCSA-N 2 2 226.751 2.680 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(C)C)C2)C1 ZINC000389142877 355731313 /nfs/dbraw/zinc/73/13/13/355731313.db2.gz HNWBDXRIHPNWHT-KKUMJFAQSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(C)C)C2)C1 ZINC000389142877 355731314 /nfs/dbraw/zinc/73/13/14/355731314.db2.gz HNWBDXRIHPNWHT-KKUMJFAQSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000389271226 355938741 /nfs/dbraw/zinc/93/87/41/355938741.db2.gz RAYBTFJDZJYXOA-DGCLKSJQSA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000389271226 355938743 /nfs/dbraw/zinc/93/87/43/355938743.db2.gz RAYBTFJDZJYXOA-DGCLKSJQSA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000381703580 538468506 /nfs/dbraw/zinc/46/85/06/538468506.db2.gz IUHCLTKEOLKVHS-YNEHKIRRSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000381703580 538468510 /nfs/dbraw/zinc/46/85/10/538468510.db2.gz IUHCLTKEOLKVHS-YNEHKIRRSA-N 2 2 226.408 2.598 10 0 BFAELP C[N@H+](CC12CCC(CC1)[NH2+]2)C1CCCCC1 ZINC000675055865 538477178 /nfs/dbraw/zinc/47/71/78/538477178.db2.gz AKKNGHIWUBOTKV-UHFFFAOYSA-N 2 2 222.376 2.536 10 0 BFAELP C[N@@H+](CC12CCC(CC1)[NH2+]2)C1CCCCC1 ZINC000675055865 538477181 /nfs/dbraw/zinc/47/71/81/538477181.db2.gz AKKNGHIWUBOTKV-UHFFFAOYSA-N 2 2 222.376 2.536 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000389561133 356990408 /nfs/dbraw/zinc/99/04/08/356990408.db2.gz UGCYAWLZUWLWHX-ZDUSSCGKSA-N 2 2 244.338 2.617 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000389561133 356990410 /nfs/dbraw/zinc/99/04/10/356990410.db2.gz UGCYAWLZUWLWHX-ZDUSSCGKSA-N 2 2 244.338 2.617 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300135455 357032090 /nfs/dbraw/zinc/03/20/90/357032090.db2.gz JCULGBYSRNDNLL-RDBSUJKOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300135455 357032094 /nfs/dbraw/zinc/03/20/94/357032094.db2.gz JCULGBYSRNDNLL-RDBSUJKOSA-N 2 2 238.419 2.885 10 0 BFAELP c1cn(C[C@H]2CCC[N@@H+]2CC2CCCCC2)c[nH+]1 ZINC000136080259 358861990 /nfs/dbraw/zinc/86/19/90/358861990.db2.gz FWJFXBGTINBCTH-OAHLLOKOSA-N 2 2 247.386 2.928 10 0 BFAELP c1cn(C[C@H]2CCC[N@H+]2CC2CCCCC2)c[nH+]1 ZINC000136080259 358861993 /nfs/dbraw/zinc/86/19/93/358861993.db2.gz FWJFXBGTINBCTH-OAHLLOKOSA-N 2 2 247.386 2.928 10 0 BFAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1F ZINC000088255155 359943752 /nfs/dbraw/zinc/94/37/52/359943752.db2.gz RMHLIVNMKPSRTG-JTQLQIEISA-N 2 2 233.290 2.708 10 0 BFAELP C[C@@H](CCC[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000094948114 360328711 /nfs/dbraw/zinc/32/87/11/360328711.db2.gz MWDGYLRMQMWWAK-QMMMGPOBSA-N 2 2 247.264 2.640 10 0 BFAELP CC1CCC(C[NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000097929582 360384252 /nfs/dbraw/zinc/38/42/52/360384252.db2.gz DMLZVUNOSBNQOG-UHFFFAOYSA-N 2 2 238.419 2.887 10 0 BFAELP [NH3+]C1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000037616802 181330636 /nfs/dbraw/zinc/33/06/36/181330636.db2.gz QRQSREUVOJWEPV-UONOGXRCSA-N 2 2 236.403 2.770 10 0 BFAELP [NH3+]C1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000037616802 181330640 /nfs/dbraw/zinc/33/06/40/181330640.db2.gz QRQSREUVOJWEPV-UONOGXRCSA-N 2 2 236.403 2.770 10 0 BFAELP [NH3+]C1(C[NH+]2CCCCCCC2)CCCC1 ZINC000037479594 181330462 /nfs/dbraw/zinc/33/04/62/181330462.db2.gz DPQBLDRGFGDOIQ-UHFFFAOYSA-N 2 2 210.365 2.524 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000152842593 201211709 /nfs/dbraw/zinc/21/17/09/201211709.db2.gz TXKRHQGJUZSHIF-XDQVBPFNSA-N 2 2 226.408 2.739 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000152842593 201211711 /nfs/dbraw/zinc/21/17/11/201211711.db2.gz TXKRHQGJUZSHIF-XDQVBPFNSA-N 2 2 226.408 2.739 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000386276100 367943549 /nfs/dbraw/zinc/94/35/49/367943549.db2.gz PWXBXJQDUJZYQS-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000386276100 367943552 /nfs/dbraw/zinc/94/35/52/367943552.db2.gz PWXBXJQDUJZYQS-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000386276099 367943927 /nfs/dbraw/zinc/94/39/27/367943927.db2.gz PWXBXJQDUJZYQS-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000386276099 367943932 /nfs/dbraw/zinc/94/39/32/367943932.db2.gz PWXBXJQDUJZYQS-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+]CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803795 368999493 /nfs/dbraw/zinc/99/94/93/368999493.db2.gz GULOSFAUVPNXFM-UHFFFAOYSA-N 2 2 247.264 2.512 10 0 BFAELP CC(C)(C)[C@@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000616584572 369096880 /nfs/dbraw/zinc/09/68/80/369096880.db2.gz KXKSTVOVLCEKEV-AWEZNQCLSA-N 2 2 232.371 2.591 10 0 BFAELP CC(C)(C)[C@@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000616584572 369096884 /nfs/dbraw/zinc/09/68/84/369096884.db2.gz KXKSTVOVLCEKEV-AWEZNQCLSA-N 2 2 232.371 2.591 10 0 BFAELP CC[C@H]1CC[NH2+][C@H](C[NH2+]Cc2ccccc2)C1 ZINC000132779759 371921611 /nfs/dbraw/zinc/92/16/11/371921611.db2.gz PQASKDLFKXLQHY-ZFWWWQNUSA-N 2 2 232.371 2.554 10 0 BFAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000020225726 169087033 /nfs/dbraw/zinc/08/70/33/169087033.db2.gz GNDXNQMBGJIDHO-AWEZNQCLSA-N 2 2 220.360 2.591 10 0 BFAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000020225726 169087035 /nfs/dbraw/zinc/08/70/35/169087035.db2.gz GNDXNQMBGJIDHO-AWEZNQCLSA-N 2 2 220.360 2.591 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccccc1F ZINC000038916552 169150088 /nfs/dbraw/zinc/15/00/88/169150088.db2.gz IYECSGFAFBFVML-AWEZNQCLSA-N 2 2 238.350 2.948 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(C)o1 ZINC000022168657 169150634 /nfs/dbraw/zinc/15/06/34/169150634.db2.gz KKLKLWNHHRLSNT-LBPRGKRZSA-N 2 2 224.348 2.710 10 0 BFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000038827610 169151893 /nfs/dbraw/zinc/15/18/93/169151893.db2.gz ZCBDLCPTQDXVRZ-CQSZACIVSA-N 2 2 238.350 2.948 10 0 BFAELP CCC[N@H+](Cc1ccc(C)o1)[C@@H]1CCC[NH2+]C1 ZINC000104339663 169176046 /nfs/dbraw/zinc/17/60/46/169176046.db2.gz GAQDOGOQGAUAAA-CYBMUJFWSA-N 2 2 236.359 2.552 10 0 BFAELP CCC[N@@H+](Cc1ccc(C)o1)[C@@H]1CCC[NH2+]C1 ZINC000104339663 169176047 /nfs/dbraw/zinc/17/60/47/169176047.db2.gz GAQDOGOQGAUAAA-CYBMUJFWSA-N 2 2 236.359 2.552 10 0 BFAELP CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000037635832 169255659 /nfs/dbraw/zinc/25/56/59/169255659.db2.gz OAPGPYYPRCDNDB-ZDUSSCGKSA-N 2 2 247.386 2.607 10 0 BFAELP CCC[NH2+]C[C@@H](CC)[N@H+](CC)Cc1ccncc1 ZINC000052514871 169262989 /nfs/dbraw/zinc/26/29/89/169262989.db2.gz YVBHWIAQNPCUAW-OAHLLOKOSA-N 2 2 249.402 2.682 10 0 BFAELP CCC[NH2+]C[C@@H](CC)[N@@H+](CC)Cc1ccncc1 ZINC000052514871 169262991 /nfs/dbraw/zinc/26/29/91/169262991.db2.gz YVBHWIAQNPCUAW-OAHLLOKOSA-N 2 2 249.402 2.682 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)o1 ZINC000035586264 169289839 /nfs/dbraw/zinc/28/98/39/169289839.db2.gz FLSAUTMDDXRXGL-LLVKDONJSA-N 2 2 233.315 2.595 10 0 BFAELP CCC[NH2+][C@@H](C)Cn1c(C)[nH+]c2ccccc21 ZINC000043996027 169275517 /nfs/dbraw/zinc/27/55/17/169275517.db2.gz SMHKWQLYOUFDRL-NSHDSACASA-N 2 2 231.343 2.733 10 0 BFAELP CCC[NH2+][C@@H](CCC)C[NH+]1CCCCC1 ZINC000050184505 169277760 /nfs/dbraw/zinc/27/77/60/169277760.db2.gz SDTVDZOANRCNJY-ZDUSSCGKSA-N 2 2 212.381 2.641 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000035586561 169279841 /nfs/dbraw/zinc/27/98/41/169279841.db2.gz UHVFVGUQVRZVOQ-ZDUSSCGKSA-N 2 2 235.375 2.901 10 0 BFAELP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000310030922 384800781 /nfs/dbraw/zinc/80/07/81/384800781.db2.gz RCNHQBNCJIGZCG-GFCCVEGCSA-N 2 2 223.364 2.688 10 0 BFAELP CC[C@@H]([NH2+]CC[N@H+](CC)C1CC1)C(C)(C)C ZINC000310042201 385137844 /nfs/dbraw/zinc/13/78/44/385137844.db2.gz ZGDNGYJAYACIFJ-CYBMUJFWSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]([NH2+]CC[N@@H+](CC)C1CC1)C(C)(C)C ZINC000310042201 385137851 /nfs/dbraw/zinc/13/78/51/385137851.db2.gz ZGDNGYJAYACIFJ-CYBMUJFWSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000252709866 385190938 /nfs/dbraw/zinc/19/09/38/385190938.db2.gz FAUJDKMHTMCDCR-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000252709866 385190943 /nfs/dbraw/zinc/19/09/43/385190943.db2.gz FAUJDKMHTMCDCR-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)[C@@H]1C ZINC000311082015 385302728 /nfs/dbraw/zinc/30/27/28/385302728.db2.gz MDPCTSRFPLHNFG-LUYZLQTOSA-N 2 2 246.398 2.923 10 0 BFAELP CCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171138949 385469780 /nfs/dbraw/zinc/46/97/80/385469780.db2.gz VQNQRXGFFCCUAY-CYBMUJFWSA-N 2 2 233.359 2.616 10 0 BFAELP CCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171138949 385469787 /nfs/dbraw/zinc/46/97/87/385469787.db2.gz VQNQRXGFFCCUAY-CYBMUJFWSA-N 2 2 233.359 2.616 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309388008 385560477 /nfs/dbraw/zinc/56/04/77/385560477.db2.gz SLTNVMKRNRCUKR-IGQOVBAYSA-N 2 2 226.408 2.597 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C(C)(C)C ZINC000336740724 385821813 /nfs/dbraw/zinc/82/18/13/385821813.db2.gz QJAFOOBXCWMYGD-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C(C)(C)C ZINC000336740724 385821815 /nfs/dbraw/zinc/82/18/15/385821815.db2.gz QJAFOOBXCWMYGD-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000414317417 386118568 /nfs/dbraw/zinc/11/85/68/386118568.db2.gz ACPJUVVCNYOPHI-LSDHHAIUSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000414317417 386118575 /nfs/dbraw/zinc/11/85/75/386118575.db2.gz ACPJUVVCNYOPHI-LSDHHAIUSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000414317414 386118835 /nfs/dbraw/zinc/11/88/35/386118835.db2.gz ACPJUVVCNYOPHI-GJZGRUSLSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000414317414 386118841 /nfs/dbraw/zinc/11/88/41/386118841.db2.gz ACPJUVVCNYOPHI-GJZGRUSLSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CCCC2)C1 ZINC000414332153 386127759 /nfs/dbraw/zinc/12/77/59/386127759.db2.gz DULGYTWSBBCZBV-GXTWGEPZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CCCC2)C1 ZINC000414332153 386127766 /nfs/dbraw/zinc/12/77/66/386127766.db2.gz DULGYTWSBBCZBV-GXTWGEPZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396520828 386772609 /nfs/dbraw/zinc/77/26/09/386772609.db2.gz CMRWCYPCVAWSNS-QEJZJMRPSA-N 2 2 232.371 2.868 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(F)c1 ZINC000396555673 386775544 /nfs/dbraw/zinc/77/55/44/386775544.db2.gz GISFWSGJGHRADO-MISXGVKJSA-N 2 2 236.334 2.617 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)s1 ZINC000396595203 386786011 /nfs/dbraw/zinc/78/60/11/386786011.db2.gz FDOOCPFZMGZCOW-GRYCIOLGSA-N 2 2 238.400 2.848 10 0 BFAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000400589117 387154663 /nfs/dbraw/zinc/15/46/63/387154663.db2.gz TUGHCYMCUWITDP-DCAQKATOSA-N 2 2 224.373 2.539 10 0 BFAELP C[C@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000091960386 387209351 /nfs/dbraw/zinc/20/93/51/387209351.db2.gz QSHXUTCMOWJVKB-STQMWFEESA-N 2 2 235.375 2.812 10 0 BFAELP C[C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000091960386 387209357 /nfs/dbraw/zinc/20/93/57/387209357.db2.gz QSHXUTCMOWJVKB-STQMWFEESA-N 2 2 235.375 2.812 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000309494283 387810436 /nfs/dbraw/zinc/81/04/36/387810436.db2.gz XZGHLXLCABHRGD-KGLIPLIRSA-N 2 2 222.376 2.559 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000309494283 387810440 /nfs/dbraw/zinc/81/04/40/387810440.db2.gz XZGHLXLCABHRGD-KGLIPLIRSA-N 2 2 222.376 2.559 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000309494280 387810590 /nfs/dbraw/zinc/81/05/90/387810590.db2.gz XZGHLXLCABHRGD-KBPBESRZSA-N 2 2 222.376 2.559 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000309494280 387810594 /nfs/dbraw/zinc/81/05/94/387810594.db2.gz XZGHLXLCABHRGD-KBPBESRZSA-N 2 2 222.376 2.559 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397861228 388507664 /nfs/dbraw/zinc/50/76/64/388507664.db2.gz VCLIWUQXSTYXMR-MJBXVCDLSA-N 2 2 240.435 2.987 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000328341769 388616199 /nfs/dbraw/zinc/61/61/99/388616199.db2.gz LBUSHDABZYWGPC-ZDUSSCGKSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000328341769 388616200 /nfs/dbraw/zinc/61/62/00/388616200.db2.gz LBUSHDABZYWGPC-ZDUSSCGKSA-N 2 2 226.408 2.598 10 0 BFAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000247883519 388670970 /nfs/dbraw/zinc/67/09/70/388670970.db2.gz CJTFNCNIEXBVDD-QPSCCSFWSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000247883519 388670974 /nfs/dbraw/zinc/67/09/74/388670974.db2.gz CJTFNCNIEXBVDD-QPSCCSFWSA-N 2 2 238.419 2.883 10 0 BFAELP CCC[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166994 322826964 /nfs/dbraw/zinc/82/69/64/322826964.db2.gz XYZGMQADCYHFOD-QWHCGFSZSA-N 2 2 214.397 2.741 10 0 BFAELP CC(C)(C)[NH2+]C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000053702643 132363083 /nfs/dbraw/zinc/36/30/83/132363083.db2.gz IDEBWBQOCOJRPY-ZDUSSCGKSA-N 2 2 247.386 2.686 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(C)(C)C ZINC000180133078 134323883 /nfs/dbraw/zinc/32/38/83/134323883.db2.gz LBIQKTXTVHNFIL-CYBMUJFWSA-N 2 2 235.375 2.702 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(C)(C)C ZINC000180133078 134323884 /nfs/dbraw/zinc/32/38/84/134323884.db2.gz LBIQKTXTVHNFIL-CYBMUJFWSA-N 2 2 235.375 2.702 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000250266982 135051937 /nfs/dbraw/zinc/05/19/37/135051937.db2.gz KPEWKZJUVODEMG-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000250266982 135051939 /nfs/dbraw/zinc/05/19/39/135051939.db2.gz KPEWKZJUVODEMG-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000261549413 135188019 /nfs/dbraw/zinc/18/80/19/135188019.db2.gz IQXAYUDWGBRLAP-ZTHSPGPESA-N 2 2 244.382 2.759 10 0 BFAELP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000261549413 135188020 /nfs/dbraw/zinc/18/80/20/135188020.db2.gz IQXAYUDWGBRLAP-ZTHSPGPESA-N 2 2 244.382 2.759 10 0 BFAELP CCC(CC)(CC)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000261579855 135220802 /nfs/dbraw/zinc/22/08/02/135220802.db2.gz MMEFIBPUSMKFHP-LBPRGKRZSA-N 2 2 212.381 2.626 10 0 BFAELP CCC(CC)(CC)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000261579855 135220804 /nfs/dbraw/zinc/22/08/04/135220804.db2.gz MMEFIBPUSMKFHP-LBPRGKRZSA-N 2 2 212.381 2.626 10 0 BFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC000049555495 322847505 /nfs/dbraw/zinc/84/75/05/322847505.db2.gz RQCVJHGQQIRNNU-ZDUSSCGKSA-N 2 2 228.424 2.989 10 0 BFAELP CC(C)C[NH2+][C@H](C[NH3+])c1ccccc1Cl ZINC000082293681 167013706 /nfs/dbraw/zinc/01/37/06/167013706.db2.gz HBTAHSXUHCMLRX-GFCCVEGCSA-N 2 2 226.751 2.585 10 0 BFAELP CC(C)C[NH2+][C@@H](C[NH3+])c1ccccc1Cl ZINC000082293680 167012126 /nfs/dbraw/zinc/01/21/26/167012126.db2.gz HBTAHSXUHCMLRX-LBPRGKRZSA-N 2 2 226.751 2.585 10 0 BFAELP CC(C)Sc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000107291357 167337371 /nfs/dbraw/zinc/33/73/71/167337371.db2.gz ZUVAWBMOKBMULE-UHFFFAOYSA-N 2 2 238.400 2.578 10 0 BFAELP CC(C)Sc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000107291357 167337373 /nfs/dbraw/zinc/33/73/73/167337373.db2.gz ZUVAWBMOKBMULE-UHFFFAOYSA-N 2 2 238.400 2.578 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401770782 411170422 /nfs/dbraw/zinc/17/04/22/411170422.db2.gz JIIVRHFKTLYVTA-FPMFFAJLSA-N 2 2 232.371 2.644 10 0 BFAELP CC1CC[NH+](C2(C[NH3+])CCC(C)CC2)CC1 ZINC000039034763 168177457 /nfs/dbraw/zinc/17/74/57/168177457.db2.gz CUEKGEWRKZYGNI-UHFFFAOYSA-N 2 2 224.392 2.626 10 0 BFAELP CC1CC[NH+]([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000019807607 168187178 /nfs/dbraw/zinc/18/71/78/168187178.db2.gz XWNIDCVXSORJSW-KBPBESRZSA-N 2 2 224.392 2.626 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000328318231 170010955 /nfs/dbraw/zinc/01/09/55/170010955.db2.gz DBUZREAFHOBBQK-GXTWGEPZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000328318231 170010956 /nfs/dbraw/zinc/01/09/56/170010956.db2.gz DBUZREAFHOBBQK-GXTWGEPZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2C)C1 ZINC000328229339 170013671 /nfs/dbraw/zinc/01/36/71/170013671.db2.gz CVECPKFBDDMFJI-GOEBONIOSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2C)C1 ZINC000328229339 170013672 /nfs/dbraw/zinc/01/36/72/170013672.db2.gz CVECPKFBDDMFJI-GOEBONIOSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2C)C1 ZINC000328229341 170022407 /nfs/dbraw/zinc/02/24/07/170022407.db2.gz CVECPKFBDDMFJI-HOCLYGCPSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2C)C1 ZINC000328229341 170022409 /nfs/dbraw/zinc/02/24/09/170022409.db2.gz CVECPKFBDDMFJI-HOCLYGCPSA-N 2 2 246.398 2.610 10 0 BFAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C)C1 ZINC000052484711 170120068 /nfs/dbraw/zinc/12/00/68/170120068.db2.gz SSYZGMUQUCWDKF-ZFWWWQNUSA-N 2 2 232.371 2.679 10 0 BFAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C)C1 ZINC000052484711 170120071 /nfs/dbraw/zinc/12/00/71/170120071.db2.gz SSYZGMUQUCWDKF-ZFWWWQNUSA-N 2 2 232.371 2.679 10 0 BFAELP CC[NH2+][C@@H](C)c1c(F)cccc1-n1cc[nH+]c1 ZINC000034663888 170141205 /nfs/dbraw/zinc/14/12/05/170141205.db2.gz VWWTVRJDDCUHOC-JTQLQIEISA-N 2 2 233.290 2.682 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(C)oc1C ZINC000035570005 170146565 /nfs/dbraw/zinc/14/65/65/170146565.db2.gz JUXHDRYQEVJBKQ-LBPRGKRZSA-N 2 2 233.315 2.513 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccco2)[C@H](C)C1 ZINC000049711212 170152847 /nfs/dbraw/zinc/15/28/47/170152847.db2.gz PHOQVIBEYLRFEF-FRRDWIJNSA-N 2 2 236.359 2.803 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccco2)[C@H](C)C1 ZINC000049711212 170152848 /nfs/dbraw/zinc/15/28/48/170152848.db2.gz PHOQVIBEYLRFEF-FRRDWIJNSA-N 2 2 236.359 2.803 10 0 BFAELP CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000034663901 170158882 /nfs/dbraw/zinc/15/88/82/170158882.db2.gz GABSKGPFNZGKHY-SNVBAGLBSA-N 2 2 233.290 2.682 10 0 BFAELP CC[NH2+][C@H](C)c1ccccc1-n1cc[nH+]c1 ZINC000034663883 170160034 /nfs/dbraw/zinc/16/00/34/170160034.db2.gz ZJSUJSRVTSTAJQ-LLVKDONJSA-N 2 2 215.300 2.543 10 0 BFAELP CC[NH2+][C@H](CC)Cc1[nH+]cc(C)c(OC)c1C ZINC000053826578 170161046 /nfs/dbraw/zinc/16/10/46/170161046.db2.gz QOGHNXZSOLPUCU-GFCCVEGCSA-N 2 2 236.359 2.638 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(C)c1 ZINC000035570381 170163079 /nfs/dbraw/zinc/16/30/79/170163079.db2.gz XZABBNGESGOCRY-CYBMUJFWSA-N 2 2 229.327 2.611 10 0 BFAELP CC[NH2+][C@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000037240290 170166907 /nfs/dbraw/zinc/16/69/07/170166907.db2.gz DITAHFKUVYZHNX-DQGBIZLVSA-N 2 2 248.414 2.639 10 0 BFAELP CC[NH2+][C@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000037240290 170166908 /nfs/dbraw/zinc/16/69/08/170166908.db2.gz DITAHFKUVYZHNX-DQGBIZLVSA-N 2 2 248.414 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]1[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000336738045 171060893 /nfs/dbraw/zinc/06/08/93/171060893.db2.gz NZCZMSVJUWTIIX-MGPQQGTHSA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000037172611 171274083 /nfs/dbraw/zinc/27/40/83/171274083.db2.gz RGYMPOUYNXPMJH-WFASDCNBSA-N 2 2 234.387 2.973 10 0 BFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000037172611 171274084 /nfs/dbraw/zinc/27/40/84/171274084.db2.gz RGYMPOUYNXPMJH-WFASDCNBSA-N 2 2 234.387 2.973 10 0 BFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000037172609 171275387 /nfs/dbraw/zinc/27/53/87/171275387.db2.gz GDUQEJTXBCPKST-WFASDCNBSA-N 2 2 234.387 2.973 10 0 BFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000037172609 171275388 /nfs/dbraw/zinc/27/53/88/171275388.db2.gz GDUQEJTXBCPKST-WFASDCNBSA-N 2 2 234.387 2.973 10 0 BFAELP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671100 171347071 /nfs/dbraw/zinc/34/70/71/171347071.db2.gz JOUKIXDPKZNZKU-GOEBONIOSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671100 171347072 /nfs/dbraw/zinc/34/70/72/171347072.db2.gz JOUKIXDPKZNZKU-GOEBONIOSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H]([NH3+])[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000019267365 171487741 /nfs/dbraw/zinc/48/77/41/171487741.db2.gz XENKUNIJNATEIY-KOLCDFICSA-N 2 2 217.316 2.643 10 0 BFAELP CCc1[nH+]c2ccccc2n1CCC[C@H](C)[NH2+]C ZINC000062807526 172013758 /nfs/dbraw/zinc/01/37/58/172013758.db2.gz QDSZQTWGBSFLNQ-LBPRGKRZSA-N 2 2 245.370 2.987 10 0 BFAELP CCc1[nH+]c2ccccc2n1CC[NH2+]CC(C)C ZINC000062808242 172013943 /nfs/dbraw/zinc/01/39/43/172013943.db2.gz OLDPANCJEWRYPW-UHFFFAOYSA-N 2 2 245.370 2.844 10 0 BFAELP CCc1[nH+]c2ccccc2n1[C@@H](CC)CC[NH3+] ZINC000062807385 172014496 /nfs/dbraw/zinc/01/44/96/172014496.db2.gz XJAVCDFJOXLHPQ-NSHDSACASA-N 2 2 231.343 2.899 10 0 BFAELP C[NH2+]CCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000052575628 173345623 /nfs/dbraw/zinc/34/56/23/173345623.db2.gz BOOPRBFLOIQZPS-UHFFFAOYSA-N 2 2 231.343 2.653 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000039795606 173377904 /nfs/dbraw/zinc/37/79/04/173377904.db2.gz CQAXBBPAVKORQB-OAHLLOKOSA-N 2 2 232.371 2.679 10 0 BFAELP C[C@@H](c1cccc(Cl)c1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014491 176017370 /nfs/dbraw/zinc/01/73/70/176017370.db2.gz BSHNXNXCYCXIJP-GXFFZTMASA-N 2 2 238.762 2.695 10 0 BFAELP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014491 176017371 /nfs/dbraw/zinc/01/73/71/176017371.db2.gz BSHNXNXCYCXIJP-GXFFZTMASA-N 2 2 238.762 2.695 10 0 BFAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1ccco1 ZINC000035701632 176090434 /nfs/dbraw/zinc/09/04/34/176090434.db2.gz NPXLXQYRYPWVMY-TZMCWYRMSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccco1 ZINC000035701632 176090435 /nfs/dbraw/zinc/09/04/35/176090435.db2.gz NPXLXQYRYPWVMY-TZMCWYRMSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC1([NH3+])CCCCC1 ZINC000020074010 176115436 /nfs/dbraw/zinc/11/54/36/176115436.db2.gz FGBXBJMBHUKPKM-CHWSQXEVSA-N 2 2 224.392 2.911 10 0 BFAELP C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431773 176116650 /nfs/dbraw/zinc/11/66/50/176116650.db2.gz FWRMQNKLZCXAFS-FVCCEPFGSA-N 2 2 210.365 2.519 10 0 BFAELP C[C@@H]1CCC[C@@H](N(C)c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051397467 176120291 /nfs/dbraw/zinc/12/02/91/176120291.db2.gz UXAMEHKSNIUEII-DGCLKSJQSA-N 2 2 233.359 2.555 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000042914926 176180012 /nfs/dbraw/zinc/18/00/12/176180012.db2.gz CDWLCMOBONMAMN-JTNHKYCSSA-N 2 2 236.334 2.556 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C)C1 ZINC000042914926 176180013 /nfs/dbraw/zinc/18/00/13/176180013.db2.gz CDWLCMOBONMAMN-JTNHKYCSSA-N 2 2 236.334 2.556 10 0 BFAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000042278890 176180408 /nfs/dbraw/zinc/18/04/08/176180408.db2.gz OPMRAJKZSDDUFT-MFKMUULPSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000042278890 176180410 /nfs/dbraw/zinc/18/04/10/176180410.db2.gz OPMRAJKZSDDUFT-MFKMUULPSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[NH+]1CCCCC1 ZINC000038028827 176684403 /nfs/dbraw/zinc/68/44/03/176684403.db2.gz DMDTUOGZGXNRNJ-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H](c1ccc(Cl)s1)[NH+]1CCC([NH3+])CC1 ZINC000035286456 177033491 /nfs/dbraw/zinc/03/34/91/177033491.db2.gz YQPKRWJLFXUESJ-MRVPVSSYSA-N 2 2 244.791 2.886 10 0 BFAELP C[C@H](c1ccco1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357010 177049091 /nfs/dbraw/zinc/04/90/91/177049091.db2.gz OUIRSUAXTXHRPQ-FRRDWIJNSA-N 2 2 234.343 2.557 10 0 BFAELP C[C@H](c1ccco1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357010 177049094 /nfs/dbraw/zinc/04/90/94/177049094.db2.gz OUIRSUAXTXHRPQ-FRRDWIJNSA-N 2 2 234.343 2.557 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1C ZINC000042914821 177111409 /nfs/dbraw/zinc/11/14/09/177111409.db2.gz MMQKKARXUWEKLL-MISXGVKJSA-N 2 2 236.334 2.698 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1C ZINC000042914821 177111410 /nfs/dbraw/zinc/11/14/10/177111410.db2.gz MMQKKARXUWEKLL-MISXGVKJSA-N 2 2 236.334 2.698 10 0 BFAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000037910472 177111981 /nfs/dbraw/zinc/11/19/81/177111981.db2.gz GDUIIIDYQNRFDQ-GWCFXTLKSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000040717491 177169401 /nfs/dbraw/zinc/16/94/01/177169401.db2.gz JVBGWHUERZWBFP-GWCFXTLKSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000040717491 177169403 /nfs/dbraw/zinc/16/94/03/177169403.db2.gz JVBGWHUERZWBFP-GWCFXTLKSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+](C2(C[NH3+])CCCCC2)C1 ZINC000019807806 177311774 /nfs/dbraw/zinc/31/17/74/177311774.db2.gz KSXHODWRQXAHCR-BETUJISGSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+](C2(C[NH3+])CCCCC2)C1 ZINC000019807806 177311775 /nfs/dbraw/zinc/31/17/75/177311775.db2.gz KSXHODWRQXAHCR-BETUJISGSA-N 2 2 224.392 2.626 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396520833 262805193 /nfs/dbraw/zinc/80/51/93/262805193.db2.gz CMRWCYPCVAWSNS-VHDGCEQUSA-N 2 2 232.371 2.868 10 0 BFAELP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000216338650 323101033 /nfs/dbraw/zinc/10/10/33/323101033.db2.gz JNAIYRGLTBUCJM-ILXRZTDVSA-N 2 2 249.402 2.934 10 0 BFAELP CCC[C@@H](C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166494 324387119 /nfs/dbraw/zinc/38/71/19/324387119.db2.gz GGMQZJZTSUAWJL-ZIAGYGMSSA-N 2 2 228.424 2.989 10 0 BFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CC ZINC000062808178 487502474 /nfs/dbraw/zinc/50/24/74/487502474.db2.gz BCWHZGUSQXQCGT-GFCCVEGCSA-N 2 2 245.370 2.987 10 0 BFAELP CC[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373386 535567715 /nfs/dbraw/zinc/56/77/15/535567715.db2.gz IMMCTVBSQHMFKJ-OLZOCXBDSA-N 2 2 233.359 2.614 10 0 BFAELP Cc1cccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811634 534757445 /nfs/dbraw/zinc/75/74/45/534757445.db2.gz YOUNPUBBXRHTLW-UMVBOHGHSA-N 2 2 232.371 2.786 10 0 BFAELP CC[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373386 535567709 /nfs/dbraw/zinc/56/77/09/535567709.db2.gz IMMCTVBSQHMFKJ-OLZOCXBDSA-N 2 2 233.359 2.614 10 0 BFAELP C[C@H](C1CCC1)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757135313 582514154 /nfs/dbraw/zinc/51/41/54/582514154.db2.gz ZPEMEHFKLPRWAV-CZUORRHYSA-N 2 2 248.414 2.735 10 0 BFAELP C[C@H](C1CCC1)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757135313 582514156 /nfs/dbraw/zinc/51/41/56/582514156.db2.gz ZPEMEHFKLPRWAV-CZUORRHYSA-N 2 2 248.414 2.735 10 0 BFAELP C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757135301 582514288 /nfs/dbraw/zinc/51/42/88/582514288.db2.gz ZPEMEHFKLPRWAV-CJNGLKHVSA-N 2 2 248.414 2.735 10 0 BFAELP C[C@H](C1CCC1)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757135301 582514289 /nfs/dbraw/zinc/51/42/89/582514289.db2.gz ZPEMEHFKLPRWAV-CJNGLKHVSA-N 2 2 248.414 2.735 10 0 BFAELP c1cn(C[C@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)c[nH+]1 ZINC000249894076 583931453 /nfs/dbraw/zinc/93/14/53/583931453.db2.gz RDOMNKSWFSBVFX-HUUCEWRRSA-N 2 2 245.370 2.704 10 0 BFAELP c1cn(C[C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c[nH+]1 ZINC000249894076 583931454 /nfs/dbraw/zinc/93/14/54/583931454.db2.gz RDOMNKSWFSBVFX-HUUCEWRRSA-N 2 2 245.370 2.704 10 0 BFAELP CCC(CC)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757133781 586427202 /nfs/dbraw/zinc/42/72/02/586427202.db2.gz UIFKETOQNSDGPF-HNNXBMFYSA-N 2 2 236.403 2.735 10 0 BFAELP CCC(CC)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757133781 586427204 /nfs/dbraw/zinc/42/72/04/586427204.db2.gz UIFKETOQNSDGPF-HNNXBMFYSA-N 2 2 236.403 2.735 10 0 BFAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1cscc1C(F)F ZINC000757239546 586444082 /nfs/dbraw/zinc/44/40/82/586444082.db2.gz UNPVPRGVMKJQOL-MATHAZKKSA-N 2 2 246.326 2.684 10 0 BFAELP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1F ZINC000235212898 632540556 /nfs/dbraw/zinc/54/05/56/632540556.db2.gz PXUILQISSMMETQ-DGCLKSJQSA-N 2 2 236.334 2.537 10 0 BFAELP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1F ZINC000235516073 632773926 /nfs/dbraw/zinc/77/39/26/632773926.db2.gz PXUILQISSMMETQ-WCQYABFASA-N 2 2 236.334 2.537 10 0 BFAELP C[C@@H]1[NH2+][C@@H](c2cscc2C(F)F)CC[C@@H]1[NH3+] ZINC000757241702 644865365 /nfs/dbraw/zinc/86/53/65/644865365.db2.gz XVCGTQCIPZELQY-JMOVZRAMSA-N 2 2 246.326 2.826 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702265199 712040986 /nfs/dbraw/zinc/04/09/86/712040986.db2.gz YGTYYGLHUWMYEB-NWDGAFQWSA-N 2 2 246.826 2.712 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715097445 712508240 /nfs/dbraw/zinc/50/82/40/712508240.db2.gz QWNHJOLYRYTACN-BJHJDKERSA-N 2 2 241.338 2.692 10 0 BFAELP C[C@H](C[NH2+]CCc1ccccc1)[NH+]1CCCCC1 ZINC000038028323 712799464 /nfs/dbraw/zinc/79/94/64/712799464.db2.gz QIEMTMOPLMBHCB-OAHLLOKOSA-N 2 2 246.398 2.693 10 0 BFAELP C[NH2+]CC[N@H+](C[C@H]1CCCCC1(F)F)C(C)C ZINC000720776862 712865333 /nfs/dbraw/zinc/86/53/33/712865333.db2.gz XGZWQMHVBPSROF-GFCCVEGCSA-N 2 2 248.361 2.742 10 0 BFAELP C[NH2+]CC[N@@H+](C[C@H]1CCCCC1(F)F)C(C)C ZINC000720776862 712865335 /nfs/dbraw/zinc/86/53/35/712865335.db2.gz XGZWQMHVBPSROF-GFCCVEGCSA-N 2 2 248.361 2.742 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NCC[C@H](C)[NH3+] ZINC000063171389 349500799 /nfs/dbraw/zinc/50/07/99/349500799.db2.gz ZGPHISLZOLIJPY-NSHDSACASA-N 2 2 229.327 2.692 10 0 BFAELP Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)ccc1[NH3+] ZINC000049555017 178180872 /nfs/dbraw/zinc/18/08/72/178180872.db2.gz UPXYINWLXOFZIJ-AWEZNQCLSA-N 2 2 249.402 2.965 10 0 BFAELP C[C@@H]([C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000306641742 361754765 /nfs/dbraw/zinc/75/47/65/361754765.db2.gz RGHZLSVRFICYCZ-DZGCQCFKSA-N 2 2 232.371 2.649 10 0 BFAELP C[C@@H]([C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000306641742 361754767 /nfs/dbraw/zinc/75/47/67/361754767.db2.gz RGHZLSVRFICYCZ-DZGCQCFKSA-N 2 2 232.371 2.649 10 0 BFAELP Cc1cc([C@H](C[NH3+])[NH+]2CCCCC2)c(C)s1 ZINC000049687240 178261682 /nfs/dbraw/zinc/26/16/82/178261682.db2.gz XWEYIBMHDSWMPE-ZDUSSCGKSA-N 2 2 238.400 2.851 10 0 BFAELP Cc1cc2[nH+]cn([C@@H](C)CC(N)=[NH2+])c2cc1C ZINC000048250314 178305729 /nfs/dbraw/zinc/30/57/29/178305729.db2.gz HCFJYSHMOWXWEK-JTQLQIEISA-N 2 2 230.315 2.540 10 0 BFAELP Cc1cc2[nH+]cn([C@H](C)[C@H](C)[NH3+])c2cc1C ZINC000041053921 178305667 /nfs/dbraw/zinc/30/56/67/178305667.db2.gz PNAGEWPHEMWKBZ-WDEREUQCSA-N 2 2 217.316 2.561 10 0 BFAELP CCC(CC)[N@H+](C)[C@H](C[NH3+])c1ccccc1F ZINC000036788854 168369071 /nfs/dbraw/zinc/36/90/71/168369071.db2.gz SEHJFXKQZGKXRX-CQSZACIVSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@@H+](C)[C@H](C[NH3+])c1ccccc1F ZINC000036788854 168369073 /nfs/dbraw/zinc/36/90/73/168369073.db2.gz SEHJFXKQZGKXRX-CQSZACIVSA-N 2 2 238.350 2.946 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000379433457 538977248 /nfs/dbraw/zinc/97/72/48/538977248.db2.gz GCTJFNYFHMPFBZ-RDBSUJKOSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000379433457 538977249 /nfs/dbraw/zinc/97/72/49/538977249.db2.gz GCTJFNYFHMPFBZ-RDBSUJKOSA-N 2 2 226.408 2.885 10 0 BFAELP c1cn(C[C@@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)c[nH+]1 ZINC000188407868 538979004 /nfs/dbraw/zinc/97/90/04/538979004.db2.gz RDOMNKSWFSBVFX-GJZGRUSLSA-N 2 2 245.370 2.704 10 0 BFAELP c1cn(C[C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c[nH+]1 ZINC000188407868 538979005 /nfs/dbraw/zinc/97/90/05/538979005.db2.gz RDOMNKSWFSBVFX-GJZGRUSLSA-N 2 2 245.370 2.704 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000390463806 539021974 /nfs/dbraw/zinc/02/19/74/539021974.db2.gz GYOTZKXXZHEZRK-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000390463806 539021975 /nfs/dbraw/zinc/02/19/75/539021975.db2.gz GYOTZKXXZHEZRK-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358396818 187215984 /nfs/dbraw/zinc/21/59/84/187215984.db2.gz JTUPTKKKKADBTK-IPYPFGDCSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358396818 187215987 /nfs/dbraw/zinc/21/59/87/187215987.db2.gz JTUPTKKKKADBTK-IPYPFGDCSA-N 2 2 232.371 2.596 10 0 BFAELP CC(C)(C)Sc1ccccc1[C@@H]([NH3+])C[NH3+] ZINC000072201144 343069615 /nfs/dbraw/zinc/06/96/15/343069615.db2.gz GELCNGCCXOCQTM-JTQLQIEISA-N 2 2 224.373 2.536 10 0 BFAELP C[NH+](C)[C@@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000020260358 343140345 /nfs/dbraw/zinc/14/03/45/343140345.db2.gz OEDXASUOCKHCRL-CVEARBPZSA-N 2 2 240.350 2.989 10 0 BFAELP C[NH+](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000020260352 343140553 /nfs/dbraw/zinc/14/05/53/343140553.db2.gz OEDXASUOCKHCRL-JKSUJKDBSA-N 2 2 240.350 2.989 10 0 BFAELP CSc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000034938051 187257246 /nfs/dbraw/zinc/25/72/46/187257246.db2.gz YYVAHXGAEUQGEG-CYBMUJFWSA-N 2 2 236.384 2.504 10 0 BFAELP CC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816497 344236624 /nfs/dbraw/zinc/23/66/24/344236624.db2.gz VTNGGEVJIHEXIA-UKRRQHHQSA-N 2 2 234.387 2.895 10 0 BFAELP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816497 344236625 /nfs/dbraw/zinc/23/66/25/344236625.db2.gz VTNGGEVJIHEXIA-UKRRQHHQSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249461634 537875001 /nfs/dbraw/zinc/87/50/01/537875001.db2.gz FQUARMCFRXDLAE-KGLIPLIRSA-N 2 2 235.375 2.784 10 0 BFAELP CCC[C@@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249461634 537875010 /nfs/dbraw/zinc/87/50/10/537875010.db2.gz FQUARMCFRXDLAE-KGLIPLIRSA-N 2 2 235.375 2.784 10 0 BFAELP Cc1cc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)ccc1Cl ZINC000675054013 537890630 /nfs/dbraw/zinc/89/06/30/537890630.db2.gz LJYLKSVFFRRPIM-WCQYABFASA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)ccc1Cl ZINC000675054013 537890635 /nfs/dbraw/zinc/89/06/35/537890635.db2.gz LJYLKSVFFRRPIM-WCQYABFASA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cccc(NCC[N@@H+](C)C2CCCC2)[nH+]1 ZINC000071377541 179145594 /nfs/dbraw/zinc/14/55/94/179145594.db2.gz MFBJADWRPAYZHQ-UHFFFAOYSA-N 2 2 233.359 2.676 10 0 BFAELP Cc1cccc(NCC[N@H+](C)C2CCCC2)[nH+]1 ZINC000071377541 179145597 /nfs/dbraw/zinc/14/55/97/179145597.db2.gz MFBJADWRPAYZHQ-UHFFFAOYSA-N 2 2 233.359 2.676 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000300984489 347324149 /nfs/dbraw/zinc/32/41/49/347324149.db2.gz USVVZQZYTHUORN-KGLIPLIRSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000300984489 347324156 /nfs/dbraw/zinc/32/41/56/347324156.db2.gz USVVZQZYTHUORN-KGLIPLIRSA-N 2 2 226.408 2.743 10 0 BFAELP Cc1ccccc1[N@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578686 179293977 /nfs/dbraw/zinc/29/39/77/179293977.db2.gz QERNOTHKMXOWIZ-KGLIPLIRSA-N 2 2 232.371 2.949 10 0 BFAELP Cc1ccccc1[N@@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578686 179293978 /nfs/dbraw/zinc/29/39/78/179293978.db2.gz QERNOTHKMXOWIZ-KGLIPLIRSA-N 2 2 232.371 2.949 10 0 BFAELP CC(C)[NH+](C[C@H]1C[C@H](C)C[C@H](C)[NH2+]1)C(C)C ZINC000669381682 537994950 /nfs/dbraw/zinc/99/49/50/537994950.db2.gz RNRUPUOKRBBZSZ-HZSPNIEDSA-N 2 2 226.408 2.882 10 0 BFAELP Cc1ccc(C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1 ZINC000616576679 349102892 /nfs/dbraw/zinc/10/28/92/349102892.db2.gz ATIARAKHHQOIMS-GZBFAFLISA-N 2 2 230.355 2.568 10 0 BFAELP Cc1[nH]c2cc([C@H]([NH3+])c3ccccc3)ccc2[nH+]1 ZINC000037337088 180097363 /nfs/dbraw/zinc/09/73/63/180097363.db2.gz UTWPVSWVGFSJST-OAHLLOKOSA-N 2 2 237.306 2.919 10 0 BFAELP Cc1[nH]c2ccc([C@H]([NH3+])c3ccccc3)cc2[nH+]1 ZINC000037337088 180097366 /nfs/dbraw/zinc/09/73/66/180097366.db2.gz UTWPVSWVGFSJST-OAHLLOKOSA-N 2 2 237.306 2.919 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]2C)n1-c1ccccc1 ZINC000081292690 180156142 /nfs/dbraw/zinc/15/61/42/180156142.db2.gz GQCJPOXBYNNVMQ-XHDPSFHLSA-N 2 2 241.338 2.679 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H]2C)n1-c1ccccc1 ZINC000081292691 180157948 /nfs/dbraw/zinc/15/79/48/180157948.db2.gz GQCJPOXBYNNVMQ-NHYWBVRUSA-N 2 2 241.338 2.679 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616602813 350788444 /nfs/dbraw/zinc/78/84/44/350788444.db2.gz SNYAGOPXJNPQNJ-LBPRGKRZSA-N 2 2 221.348 2.709 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616602813 350788448 /nfs/dbraw/zinc/78/84/48/350788448.db2.gz SNYAGOPXJNPQNJ-LBPRGKRZSA-N 2 2 221.348 2.709 10 0 BFAELP COc1ccccc1[C@@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616625628 351094613 /nfs/dbraw/zinc/09/46/13/351094613.db2.gz RHXWKGTVMRJJHO-AWEZNQCLSA-N 2 2 248.370 2.571 10 0 BFAELP COc1ccccc1[C@@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616625628 351094616 /nfs/dbraw/zinc/09/46/16/351094616.db2.gz RHXWKGTVMRJJHO-AWEZNQCLSA-N 2 2 248.370 2.571 10 0 BFAELP CC(C)[N@@H+]1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616627618 351095568 /nfs/dbraw/zinc/09/55/68/351095568.db2.gz IUPWMJUBXYPMOW-LBPRGKRZSA-N 2 2 233.359 2.642 10 0 BFAELP CC(C)[N@H+]1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616627618 351095570 /nfs/dbraw/zinc/09/55/70/351095570.db2.gz IUPWMJUBXYPMOW-LBPRGKRZSA-N 2 2 233.359 2.642 10 0 BFAELP CC(C)(C)[N@@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616654074 351194656 /nfs/dbraw/zinc/19/46/56/351194656.db2.gz LQRRXIOGGBFYRO-GFCCVEGCSA-N 2 2 221.348 2.709 10 0 BFAELP CC(C)(C)[N@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616654074 351194659 /nfs/dbraw/zinc/19/46/59/351194659.db2.gz LQRRXIOGGBFYRO-GFCCVEGCSA-N 2 2 221.348 2.709 10 0 BFAELP CC[NH2+]CC1CCC(Nc2cccc[nH+]2)CC1 ZINC000725271329 538103152 /nfs/dbraw/zinc/10/31/52/538103152.db2.gz COYZMMPIDIZNBK-UHFFFAOYSA-N 2 2 233.359 2.662 10 0 BFAELP CC1(C)CC[C@H]1[N@H+](CC[NH3+])Cc1ccccc1 ZINC000307573417 352658541 /nfs/dbraw/zinc/65/85/41/352658541.db2.gz FQSVWEZPOBWAQH-CQSZACIVSA-N 2 2 232.371 2.636 10 0 BFAELP CC1(C)CC[C@H]1[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000307573417 352658544 /nfs/dbraw/zinc/65/85/44/352658544.db2.gz FQSVWEZPOBWAQH-CQSZACIVSA-N 2 2 232.371 2.636 10 0 BFAELP CC(C)C[C@H](C[NH3+])[N@H+](Cc1ccco1)C1CC1 ZINC000042692804 188294671 /nfs/dbraw/zinc/29/46/71/188294671.db2.gz RJRYCUGFIUPAGI-CYBMUJFWSA-N 2 2 236.359 2.617 10 0 BFAELP CC(C)C[C@H](C[NH3+])[N@@H+](Cc1ccco1)C1CC1 ZINC000042692804 188294672 /nfs/dbraw/zinc/29/46/72/188294672.db2.gz RJRYCUGFIUPAGI-CYBMUJFWSA-N 2 2 236.359 2.617 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000040501958 358492995 /nfs/dbraw/zinc/49/29/95/358492995.db2.gz DMJPIDYKQZIUAW-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000040501958 358492997 /nfs/dbraw/zinc/49/29/97/358492997.db2.gz DMJPIDYKQZIUAW-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000389152543 355736233 /nfs/dbraw/zinc/73/62/33/355736233.db2.gz JWLUFCDHYOPTQA-LSDHHAIUSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000389152543 355736238 /nfs/dbraw/zinc/73/62/38/355736238.db2.gz JWLUFCDHYOPTQA-LSDHHAIUSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000389267459 355943470 /nfs/dbraw/zinc/94/34/70/355943470.db2.gz QDCJBZJWKRRLTK-CFVMTHIKSA-N 2 2 236.403 2.663 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000389267459 355943473 /nfs/dbraw/zinc/94/34/73/355943473.db2.gz QDCJBZJWKRRLTK-CFVMTHIKSA-N 2 2 236.403 2.663 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000389486458 356690955 /nfs/dbraw/zinc/69/09/55/356690955.db2.gz YOOCLAHTOGIUCU-QWHCGFSZSA-N 2 2 238.400 2.883 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000389486458 356690958 /nfs/dbraw/zinc/69/09/58/356690958.db2.gz YOOCLAHTOGIUCU-QWHCGFSZSA-N 2 2 238.400 2.883 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189078820 357602691 /nfs/dbraw/zinc/60/26/91/357602691.db2.gz QKAGHIWPHKCRPQ-ZIAGYGMSSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189078820 357602694 /nfs/dbraw/zinc/60/26/94/357602694.db2.gz QKAGHIWPHKCRPQ-ZIAGYGMSSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000233490668 357725561 /nfs/dbraw/zinc/72/55/61/357725561.db2.gz JCULGBYSRNDNLL-MELADBBJSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000233490668 357725567 /nfs/dbraw/zinc/72/55/67/357725567.db2.gz JCULGBYSRNDNLL-MELADBBJSA-N 2 2 238.419 2.885 10 0 BFAELP c1ccc(NC[C@H]2CC[N@@H+](C3CCCC3)C2)[nH+]c1 ZINC000131661548 358688122 /nfs/dbraw/zinc/68/81/22/358688122.db2.gz PHZWSHOCEGKPEU-CYBMUJFWSA-N 2 2 245.370 2.758 10 0 BFAELP c1ccc(NC[C@H]2CC[N@H+](C3CCCC3)C2)[nH+]c1 ZINC000131661548 358688125 /nfs/dbraw/zinc/68/81/25/358688125.db2.gz PHZWSHOCEGKPEU-CYBMUJFWSA-N 2 2 245.370 2.758 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000089609060 360030417 /nfs/dbraw/zinc/03/04/17/360030417.db2.gz WODZBUNRIICCMA-ZNMIVQPWSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000089609060 360030423 /nfs/dbraw/zinc/03/04/23/360030423.db2.gz WODZBUNRIICCMA-ZNMIVQPWSA-N 2 2 238.419 2.887 10 0 BFAELP CC1([NH3+])CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000630514585 364201051 /nfs/dbraw/zinc/20/10/51/364201051.db2.gz UOBJMCNRTIRPMK-UHFFFAOYSA-N 2 2 241.338 2.552 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(C)c2C)C1 ZINC000399822112 368610525 /nfs/dbraw/zinc/61/05/25/368610525.db2.gz VTAQVWPZVDAHPJ-ZDUSSCGKSA-N 2 2 238.400 2.549 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(C)c2C)C1 ZINC000399822112 368610530 /nfs/dbraw/zinc/61/05/30/368610530.db2.gz VTAQVWPZVDAHPJ-ZDUSSCGKSA-N 2 2 238.400 2.549 10 0 BFAELP CC(C)CCC[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000165219233 203382410 /nfs/dbraw/zinc/38/24/10/203382410.db2.gz SMCQIXCKOOAEGJ-CQSZACIVSA-N 2 2 228.424 2.989 10 0 BFAELP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000310031982 370291078 /nfs/dbraw/zinc/29/10/78/370291078.db2.gz RIOMBAJHJZKYJQ-OLZOCXBDSA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000310031982 370291084 /nfs/dbraw/zinc/29/10/84/370291084.db2.gz RIOMBAJHJZKYJQ-OLZOCXBDSA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000310031984 370292000 /nfs/dbraw/zinc/29/20/00/370292000.db2.gz RIOMBAJHJZKYJQ-QWHCGFSZSA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000310031984 370292002 /nfs/dbraw/zinc/29/20/02/370292002.db2.gz RIOMBAJHJZKYJQ-QWHCGFSZSA-N 2 2 226.408 2.743 10 0 BFAELP CCCCc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000071522714 169023018 /nfs/dbraw/zinc/02/30/18/169023018.db2.gz ZUVIVTXNEZFLHY-AWEZNQCLSA-N 2 2 220.360 2.591 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000038827609 169150528 /nfs/dbraw/zinc/15/05/28/169150528.db2.gz ZCBDLCPTQDXVRZ-AWEZNQCLSA-N 2 2 238.350 2.948 10 0 BFAELP CCC[NH+](CCC)[C@@](C)(C[NH3+])CC(C)C ZINC000019807866 169152559 /nfs/dbraw/zinc/15/25/59/169152559.db2.gz MUKHEHXAGMVHMH-CYBMUJFWSA-N 2 2 214.397 2.872 10 0 BFAELP CCC[NH+]1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000071413120 169189714 /nfs/dbraw/zinc/18/97/14/169189714.db2.gz SXOKBFUVUQJVLJ-UHFFFAOYSA-N 2 2 233.359 2.676 10 0 BFAELP CCC[NH2+]C1CC[NH+]([C@H](C)c2ccco2)CC1 ZINC000035739388 169255683 /nfs/dbraw/zinc/25/56/83/169255683.db2.gz CNLQTUWKGVVUNE-GFCCVEGCSA-N 2 2 236.359 2.805 10 0 BFAELP c1cc2cc(OC[C@H]3CCC[NH2+]C3)ccc2c[nH+]1 ZINC000202371729 183374266 /nfs/dbraw/zinc/37/42/66/183374266.db2.gz YLAFLSYOIFUTBA-LBPRGKRZSA-N 2 2 242.322 2.613 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000035586357 169278840 /nfs/dbraw/zinc/27/88/40/169278840.db2.gz NKOZYJBDXVADRE-ZDUSSCGKSA-N 2 2 229.327 2.693 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1F ZINC000035586565 169279142 /nfs/dbraw/zinc/27/91/42/169279142.db2.gz DDUUTDQZSSUJKY-ZDUSSCGKSA-N 2 2 247.317 2.832 10 0 BFAELP CCC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000036790376 169366581 /nfs/dbraw/zinc/36/65/81/169366581.db2.gz KKPQSIKPBKMYJX-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000036790376 169366582 /nfs/dbraw/zinc/36/65/82/169366582.db2.gz KKPQSIKPBKMYJX-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166993 384483920 /nfs/dbraw/zinc/48/39/20/384483920.db2.gz XYZGMQADCYHFOD-CHWSQXEVSA-N 2 2 214.397 2.741 10 0 BFAELP CCC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000310034910 384593356 /nfs/dbraw/zinc/59/33/56/384593356.db2.gz SSJGXYVSNPGFKS-KBPBESRZSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000310034910 384593358 /nfs/dbraw/zinc/59/33/58/384593358.db2.gz SSJGXYVSNPGFKS-KBPBESRZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000414550130 385730342 /nfs/dbraw/zinc/73/03/42/385730342.db2.gz MSQVKUSYZSSQDU-GOEBONIOSA-N 2 2 246.398 2.864 10 0 BFAELP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000414550130 385730347 /nfs/dbraw/zinc/73/03/47/385730347.db2.gz MSQVKUSYZSSQDU-GOEBONIOSA-N 2 2 246.398 2.864 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396520799 386771722 /nfs/dbraw/zinc/77/17/22/386771722.db2.gz CLEWLRZCPCXNNC-KCQAQPDRSA-N 2 2 232.371 2.786 10 0 BFAELP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000122870771 387609042 /nfs/dbraw/zinc/60/90/42/387609042.db2.gz FLUSASPNXWXDFB-TZMCWYRMSA-N 2 2 235.375 2.702 10 0 BFAELP CC[C@@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000122870771 387609045 /nfs/dbraw/zinc/60/90/45/387609045.db2.gz FLUSASPNXWXDFB-TZMCWYRMSA-N 2 2 235.375 2.702 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000247883518 388671013 /nfs/dbraw/zinc/67/10/13/388671013.db2.gz CJTFNCNIEXBVDD-KBXIAJHMSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000247883518 388671015 /nfs/dbraw/zinc/67/10/15/388671015.db2.gz CJTFNCNIEXBVDD-KBXIAJHMSA-N 2 2 238.419 2.883 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247156400 388659536 /nfs/dbraw/zinc/65/95/36/388659536.db2.gz TXKRHQGJUZSHIF-CRWXNKLISA-N 2 2 226.408 2.739 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247156400 388659537 /nfs/dbraw/zinc/65/95/37/388659537.db2.gz TXKRHQGJUZSHIF-CRWXNKLISA-N 2 2 226.408 2.739 10 0 BFAELP CCC[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000249296524 388716492 /nfs/dbraw/zinc/71/64/92/388716492.db2.gz RCJZOTDQCZWDOP-OCCSQVGLSA-N 2 2 235.375 2.845 10 0 BFAELP CCC[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000249296524 388716493 /nfs/dbraw/zinc/71/64/93/388716493.db2.gz RCJZOTDQCZWDOP-OCCSQVGLSA-N 2 2 235.375 2.845 10 0 BFAELP CCCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178302136 134305929 /nfs/dbraw/zinc/30/59/29/134305929.db2.gz MOYSQDQZQBPRCS-CQSZACIVSA-N 2 2 235.375 2.846 10 0 BFAELP CCCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178302136 134305930 /nfs/dbraw/zinc/30/59/30/134305930.db2.gz MOYSQDQZQBPRCS-CQSZACIVSA-N 2 2 235.375 2.846 10 0 BFAELP CC(C)[NH2+]CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000159169697 134763980 /nfs/dbraw/zinc/76/39/80/134763980.db2.gz ALZNADMELXPLRN-UHFFFAOYSA-N 2 2 224.392 2.663 10 0 BFAELP CC(C)[NH2+]CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000159169697 134763982 /nfs/dbraw/zinc/76/39/82/134763982.db2.gz ALZNADMELXPLRN-UHFFFAOYSA-N 2 2 224.392 2.663 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000250231067 135050432 /nfs/dbraw/zinc/05/04/32/135050432.db2.gz GEIQQJDWKJMLKN-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000250231067 135050433 /nfs/dbraw/zinc/05/04/33/135050433.db2.gz GEIQQJDWKJMLKN-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000252372698 135087799 /nfs/dbraw/zinc/08/77/99/135087799.db2.gz LBGKYFPAQSMDNP-IHRRRGAJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000252372698 135087801 /nfs/dbraw/zinc/08/78/01/135087801.db2.gz LBGKYFPAQSMDNP-IHRRRGAJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000253194577 135123968 /nfs/dbraw/zinc/12/39/68/135123968.db2.gz QHSZUXMVGVDDFI-XQQFMLRXSA-N 2 2 224.392 2.637 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000253194577 135123969 /nfs/dbraw/zinc/12/39/69/135123969.db2.gz QHSZUXMVGVDDFI-XQQFMLRXSA-N 2 2 224.392 2.637 10 0 BFAELP CC1CCC(C[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000084330847 135211321 /nfs/dbraw/zinc/21/13/21/135211321.db2.gz QFUMKOYXQCFMJY-UHFFFAOYSA-N 2 2 226.408 2.743 10 0 BFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000262948728 135325176 /nfs/dbraw/zinc/32/51/76/135325176.db2.gz JIQMPMDHURTKHJ-HNNXBMFYSA-N 2 2 243.354 2.654 10 0 BFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000262948728 135325177 /nfs/dbraw/zinc/32/51/77/135325177.db2.gz JIQMPMDHURTKHJ-HNNXBMFYSA-N 2 2 243.354 2.654 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000164516275 135387265 /nfs/dbraw/zinc/38/72/65/135387265.db2.gz QHSZUXMVGVDDFI-JHJVBQTASA-N 2 2 224.392 2.637 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000164516275 135387267 /nfs/dbraw/zinc/38/72/67/135387267.db2.gz QHSZUXMVGVDDFI-JHJVBQTASA-N 2 2 224.392 2.637 10 0 BFAELP C[C@H]1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000334433343 135406108 /nfs/dbraw/zinc/40/61/08/135406108.db2.gz MHHGACPGPJBRCX-WCQYABFASA-N 2 2 233.359 2.778 10 0 BFAELP C[C@H]1[C@@H]([NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000211624152 398048889 /nfs/dbraw/zinc/04/88/89/398048889.db2.gz WGPDGADSQLFXDI-BBRMVZONSA-N 2 2 244.382 2.792 10 0 BFAELP C[C@H]1[C@@H]([NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000211624152 398048896 /nfs/dbraw/zinc/04/88/96/398048896.db2.gz WGPDGADSQLFXDI-BBRMVZONSA-N 2 2 244.382 2.792 10 0 BFAELP CC(C)(C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC000053691346 166629690 /nfs/dbraw/zinc/62/96/90/166629690.db2.gz KAPSQYONQYCIOH-UHFFFAOYSA-N 2 2 247.386 2.686 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401770787 411170380 /nfs/dbraw/zinc/17/03/80/411170380.db2.gz JIIVRHFKTLYVTA-XBFCOCLRSA-N 2 2 232.371 2.644 10 0 BFAELP CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C[NH3+])([NH+]1CCCC1)C2 ZINC000026480699 168004016 /nfs/dbraw/zinc/00/40/16/168004016.db2.gz YTMCFVPYUWPAHJ-BPLDGKMQSA-N 2 2 236.403 2.626 10 0 BFAELP CC1CC[NH+](C2(C[NH3+])CCCCCC2)CC1 ZINC000019807612 168177200 /nfs/dbraw/zinc/17/72/00/168177200.db2.gz DUGHOYGUXBNEOD-UHFFFAOYSA-N 2 2 224.392 2.770 10 0 BFAELP CC1CC[NH+](CC[NH2+]CCc2ccccc2)CC1 ZINC000040771141 168180643 /nfs/dbraw/zinc/18/06/43/168180643.db2.gz YHICSLWKNWDJSC-UHFFFAOYSA-N 2 2 246.398 2.551 10 0 BFAELP CC1CC[NH+]([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000019807619 168185451 /nfs/dbraw/zinc/18/54/51/168185451.db2.gz NCCFBHQIRXSQGE-UONOGXRCSA-N 2 2 224.392 2.626 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000309674128 170036388 /nfs/dbraw/zinc/03/63/88/170036388.db2.gz XCDCSWHABXILFI-SRVKXCTJSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000309674128 170036391 /nfs/dbraw/zinc/03/63/91/170036391.db2.gz XCDCSWHABXILFI-SRVKXCTJSA-N 2 2 238.400 2.739 10 0 BFAELP CC[NH2+]C(C)(C)C[NH+]1CCCCCCC1 ZINC000061299645 170107131 /nfs/dbraw/zinc/10/71/31/170107131.db2.gz NSYZKWOBMMFQEJ-UHFFFAOYSA-N 2 2 212.381 2.641 10 0 BFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](CC)Cc1ccco1 ZINC000052570485 170117998 /nfs/dbraw/zinc/11/79/98/170117998.db2.gz QJGJGWRAUGIULD-AWEZNQCLSA-N 2 2 238.375 2.736 10 0 BFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](CC)Cc1ccco1 ZINC000052570485 170118000 /nfs/dbraw/zinc/11/80/00/170118000.db2.gz QJGJGWRAUGIULD-AWEZNQCLSA-N 2 2 238.375 2.736 10 0 BFAELP CC[NH2+][C@@H](C)CCc1[nH+]cc(C)c(OC)c1C ZINC000037948125 170139353 /nfs/dbraw/zinc/13/93/53/170139353.db2.gz UOQAYJDRVMSAOP-NSHDSACASA-N 2 2 236.359 2.638 10 0 BFAELP CC[NH2+][C@@H](CC)Cc1[nH+]cc(C)c(OC)c1C ZINC000053826577 170143926 /nfs/dbraw/zinc/14/39/26/170143926.db2.gz QOGHNXZSOLPUCU-LBPRGKRZSA-N 2 2 236.359 2.638 10 0 BFAELP CC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806746 170150967 /nfs/dbraw/zinc/15/09/67/170150967.db2.gz GYCZXLOGOVYURE-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)[C@H](C)C1 ZINC000049712741 170153203 /nfs/dbraw/zinc/15/32/03/170153203.db2.gz IWBQBIGFURDAAW-VNHYZAJKSA-N 2 2 247.386 2.605 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)[C@H](C)C1 ZINC000049712741 170153205 /nfs/dbraw/zinc/15/32/05/170153205.db2.gz IWBQBIGFURDAAW-VNHYZAJKSA-N 2 2 247.386 2.605 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000035570485 170163038 /nfs/dbraw/zinc/16/30/38/170163038.db2.gz IFFXIVACPCHDJU-CYBMUJFWSA-N 2 2 229.327 2.611 10 0 BFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417790 170168571 /nfs/dbraw/zinc/16/85/71/170168571.db2.gz ZHXBIDKYMBPPKN-QTVXIADOSA-N 2 2 238.419 2.741 10 0 BFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417790 170168572 /nfs/dbraw/zinc/16/85/72/170168572.db2.gz ZHXBIDKYMBPPKN-QTVXIADOSA-N 2 2 238.419 2.741 10 0 BFAELP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019948134 171299044 /nfs/dbraw/zinc/29/90/44/171299044.db2.gz DRPWFLAGMLGBEB-AEGPPILISA-N 2 2 238.419 2.885 10 0 BFAELP CC[C@H](C)[N@H+](C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971354 171309061 /nfs/dbraw/zinc/30/90/61/171309061.db2.gz NRWAMHSOMLUSBJ-MISXGVKJSA-N 2 2 238.350 2.944 10 0 BFAELP CC[C@H](C)[N@@H+](C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971354 171309063 /nfs/dbraw/zinc/30/90/63/171309063.db2.gz NRWAMHSOMLUSBJ-MISXGVKJSA-N 2 2 238.350 2.944 10 0 BFAELP CC[C@H](C)[NH+]1CCN(C(=[NH2+])C2CCCC2)CC1 ZINC000062987776 171319140 /nfs/dbraw/zinc/31/91/40/171319140.db2.gz UYTZWUHHQMNNCY-LBPRGKRZSA-N 2 2 237.391 2.570 10 0 BFAELP CC[C@H](C)[C@@H](C[NH3+])[N@H+](Cc1ccco1)C1CC1 ZINC000042692746 171368701 /nfs/dbraw/zinc/36/87/01/171368701.db2.gz MWWSSJQASMCPHQ-SMDDNHRTSA-N 2 2 236.359 2.617 10 0 BFAELP CC[C@H](C)[C@@H](C[NH3+])[N@@H+](Cc1ccco1)C1CC1 ZINC000042692746 171368703 /nfs/dbraw/zinc/36/87/03/171368703.db2.gz MWWSSJQASMCPHQ-SMDDNHRTSA-N 2 2 236.359 2.617 10 0 BFAELP CCc1[nH]c2ccc(CCCC[NH2+]C)cc2[nH+]1 ZINC000107288885 172010576 /nfs/dbraw/zinc/01/05/76/172010576.db2.gz AASQLJOBZIZVDI-UHFFFAOYSA-N 2 2 231.343 2.667 10 0 BFAELP CCc1[nH]c2cc(CCCC[NH2+]C)ccc2[nH+]1 ZINC000107288885 172010578 /nfs/dbraw/zinc/01/05/78/172010578.db2.gz AASQLJOBZIZVDI-UHFFFAOYSA-N 2 2 231.343 2.667 10 0 BFAELP CCc1[nH+]c2ccccc2n1[C@H](CC)CC[NH3+] ZINC000062807386 172014269 /nfs/dbraw/zinc/01/42/69/172014269.db2.gz XJAVCDFJOXLHPQ-LLVKDONJSA-N 2 2 231.343 2.899 10 0 BFAELP C[NH2+]CC[N@H+](C)Cc1cc(C(C)(C)C)ccc1C ZINC000077425339 173352618 /nfs/dbraw/zinc/35/26/18/173352618.db2.gz ICYOBHXYZPPFKW-UHFFFAOYSA-N 2 2 248.414 2.944 10 0 BFAELP C[NH2+]CC[N@@H+](C)Cc1cc(C(C)(C)C)ccc1C ZINC000077425339 173352620 /nfs/dbraw/zinc/35/26/20/173352620.db2.gz ICYOBHXYZPPFKW-UHFFFAOYSA-N 2 2 248.414 2.944 10 0 BFAELP COc1cccc([C@@H](C[NH3+])[NH+]2CCCCCC2)c1 ZINC000038785088 175287509 /nfs/dbraw/zinc/28/75/09/175287509.db2.gz QWQGDSUPEFPIMB-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)C2CCCC2)c1 ZINC000037084100 175288133 /nfs/dbraw/zinc/28/81/33/175288133.db2.gz NRWPSIKPXDWZCS-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)C2CCCC2)c1 ZINC000037084100 175288135 /nfs/dbraw/zinc/28/81/35/175288135.db2.gz NRWPSIKPXDWZCS-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H]1C ZINC000043097776 175348881 /nfs/dbraw/zinc/34/88/81/175348881.db2.gz BOIKPLULGHYAGW-YWPYICTPSA-N 2 2 248.370 2.568 10 0 BFAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H]1C ZINC000043097776 175348882 /nfs/dbraw/zinc/34/88/82/175348882.db2.gz BOIKPLULGHYAGW-YWPYICTPSA-N 2 2 248.370 2.568 10 0 BFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000022173006 175353782 /nfs/dbraw/zinc/35/37/82/175353782.db2.gz SRYLCJMJKZMAAU-JSGCOSHPSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccccc1[C@H](C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000022173006 175353783 /nfs/dbraw/zinc/35/37/83/175353783.db2.gz SRYLCJMJKZMAAU-JSGCOSHPSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000019261499 176074906 /nfs/dbraw/zinc/07/49/06/176074906.db2.gz IUWUSXHQXPMMIM-MNOVXSKESA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000019261499 176074907 /nfs/dbraw/zinc/07/49/07/176074907.db2.gz IUWUSXHQXPMMIM-MNOVXSKESA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000019386561 176076036 /nfs/dbraw/zinc/07/60/36/176076036.db2.gz MVVBQYANNJLKPL-RISCZKNCSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000019386561 176076037 /nfs/dbraw/zinc/07/60/37/176076037.db2.gz MVVBQYANNJLKPL-RISCZKNCSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccco2)C1 ZINC000035126773 176151597 /nfs/dbraw/zinc/15/15/97/176151597.db2.gz HOUXRASABSNIFH-OCCSQVGLSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccco2)C1 ZINC000035126773 176151598 /nfs/dbraw/zinc/15/15/98/176151598.db2.gz HOUXRASABSNIFH-OCCSQVGLSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062619221 176303666 /nfs/dbraw/zinc/30/36/66/176303666.db2.gz WIDAISFXMISHGT-LLVKDONJSA-N 2 2 238.762 2.524 10 0 BFAELP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062619221 176303667 /nfs/dbraw/zinc/30/36/67/176303667.db2.gz WIDAISFXMISHGT-LLVKDONJSA-N 2 2 238.762 2.524 10 0 BFAELP C[C@H](CC[N@@H+]1CC[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000061911673 176325440 /nfs/dbraw/zinc/32/54/40/176325440.db2.gz OVYPAMWHWWMQLW-HUUCEWRRSA-N 2 2 246.398 2.722 10 0 BFAELP C[C@H](CC[N@H+]1CC[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000061911673 176325442 /nfs/dbraw/zinc/32/54/42/176325442.db2.gz OVYPAMWHWWMQLW-HUUCEWRRSA-N 2 2 246.398 2.722 10 0 BFAELP C[C@H]1CCC[C@@H]([N@@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611801 177121047 /nfs/dbraw/zinc/12/10/47/177121047.db2.gz FJQHSNXHZIQBRL-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]1CCC[C@@H]([N@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611801 177121050 /nfs/dbraw/zinc/12/10/50/177121050.db2.gz FJQHSNXHZIQBRL-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054239981 177137146 /nfs/dbraw/zinc/13/71/46/177137146.db2.gz QVYWLXLJSKLXFO-XGUBFFRZSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054239981 177137148 /nfs/dbraw/zinc/13/71/48/177137148.db2.gz QVYWLXLJSKLXFO-XGUBFFRZSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC[NH2+]CC1CCCC1 ZINC000053387249 177160346 /nfs/dbraw/zinc/16/03/46/177160346.db2.gz CBXJJOJNTZSMNE-UONOGXRCSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@H+]1CC[NH2+]CC1CCCC1 ZINC000053387249 177160347 /nfs/dbraw/zinc/16/03/47/177160347.db2.gz CBXJJOJNTZSMNE-UONOGXRCSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC000019807814 177315660 /nfs/dbraw/zinc/31/56/60/177315660.db2.gz CGRJLTGFJJIWHY-LJISPDSOSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC000019807814 177315661 /nfs/dbraw/zinc/31/56/61/177315661.db2.gz CGRJLTGFJJIWHY-LJISPDSOSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])C2CCCCC2)C1 ZINC000019803014 177359166 /nfs/dbraw/zinc/35/91/66/177359166.db2.gz ZNXQIBGAFLGWAN-YDHLFZDLSA-N 2 2 238.419 2.872 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396520806 262805156 /nfs/dbraw/zinc/80/51/56/262805156.db2.gz CLEWLRZCPCXNNC-YDHLFZDLSA-N 2 2 232.371 2.786 10 0 BFAELP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1Cl ZINC000082328949 582901386 /nfs/dbraw/zinc/90/13/86/582901386.db2.gz NOMFBKJFUXAJSA-WCQYABFASA-N 2 2 238.762 2.742 10 0 BFAELP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1Cl ZINC000082328949 582901390 /nfs/dbraw/zinc/90/13/90/582901390.db2.gz NOMFBKJFUXAJSA-WCQYABFASA-N 2 2 238.762 2.742 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000250400734 535541546 /nfs/dbraw/zinc/54/15/46/535541546.db2.gz ZCSFTVWJLMAULH-BARDWOONSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000250400734 535541551 /nfs/dbraw/zinc/54/15/51/535541551.db2.gz ZCSFTVWJLMAULH-BARDWOONSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757135322 582514106 /nfs/dbraw/zinc/51/41/06/582514106.db2.gz ZPEMEHFKLPRWAV-XJKSGUPXSA-N 2 2 248.414 2.735 10 0 BFAELP C[C@@H](C1CCC1)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757135322 582514108 /nfs/dbraw/zinc/51/41/08/582514108.db2.gz ZPEMEHFKLPRWAV-XJKSGUPXSA-N 2 2 248.414 2.735 10 0 BFAELP CC(C)C[NH2+][C@@H]1CCCC[C@@H]1n1cc[nH+]c1 ZINC000675054289 636368008 /nfs/dbraw/zinc/36/80/08/636368008.db2.gz FTONRGOHIUIYGN-OLZOCXBDSA-N 2 2 221.348 2.612 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NCC1CC([NH3+])C1 ZINC000091524667 644629493 /nfs/dbraw/zinc/62/94/93/644629493.db2.gz QWNHJOLYRYTACN-UHFFFAOYSA-N 2 2 241.338 2.692 10 0 BFAELP C[C@@H]1[NH2+][C@H](c2cscc2C(F)F)CC[C@@H]1[NH3+] ZINC000757241712 644865143 /nfs/dbraw/zinc/86/51/43/644865143.db2.gz XVCGTQCIPZELQY-JUWDTYFHSA-N 2 2 246.326 2.826 10 0 BFAELP C[C@@H]1[NH2+][C@@H](c2cscc2C(F)F)CC[C@H]1[NH3+] ZINC000757241724 644865225 /nfs/dbraw/zinc/86/52/25/644865225.db2.gz XVCGTQCIPZELQY-WQGWLQIFSA-N 2 2 246.326 2.826 10 0 BFAELP C[NH2+]CC[N@H+](C[C@@H]1CCCCC1(F)F)C(C)C ZINC000720776866 712865098 /nfs/dbraw/zinc/86/50/98/712865098.db2.gz XGZWQMHVBPSROF-LBPRGKRZSA-N 2 2 248.361 2.742 10 0 BFAELP C[NH2+]CC[N@@H+](C[C@@H]1CCCCC1(F)F)C(C)C ZINC000720776866 712865100 /nfs/dbraw/zinc/86/51/00/712865100.db2.gz XGZWQMHVBPSROF-LBPRGKRZSA-N 2 2 248.361 2.742 10 0 BFAELP CCC(CC)(C[NH3+])[N@H+](Cc1ccco1)C1CC1 ZINC000042692858 168322933 /nfs/dbraw/zinc/32/29/33/168322933.db2.gz AFJBBUWURGCTPE-UHFFFAOYSA-N 2 2 236.359 2.762 10 0 BFAELP CCC(CC)(C[NH3+])[N@@H+](Cc1ccco1)C1CC1 ZINC000042692858 168322937 /nfs/dbraw/zinc/32/29/37/168322937.db2.gz AFJBBUWURGCTPE-UHFFFAOYSA-N 2 2 236.359 2.762 10 0 BFAELP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000086833083 398192355 /nfs/dbraw/zinc/19/23/55/398192355.db2.gz FUSMABHBJDYZPF-SNVBAGLBSA-N 2 2 239.750 2.631 10 0 BFAELP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000086833083 398192356 /nfs/dbraw/zinc/19/23/56/398192356.db2.gz FUSMABHBJDYZPF-SNVBAGLBSA-N 2 2 239.750 2.631 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000049500782 178107106 /nfs/dbraw/zinc/10/71/06/178107106.db2.gz KZLKCPORRXEXDN-ZDUSSCGKSA-N 2 2 247.386 2.864 10 0 BFAELP Cc1cc(O[C@@H]2CCC[NH2+]C2)c2ccccc2[nH+]1 ZINC000051872543 178213723 /nfs/dbraw/zinc/21/37/23/178213723.db2.gz RYSNHGHTDIMMEC-GFCCVEGCSA-N 2 2 242.322 2.674 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c(C)s1 ZINC000049687381 178236563 /nfs/dbraw/zinc/23/65/63/178236563.db2.gz JZLZNWDVIVMYLY-TVQRCGJNSA-N 2 2 238.400 2.849 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c(C)s1 ZINC000049687381 178236565 /nfs/dbraw/zinc/23/65/65/178236565.db2.gz JZLZNWDVIVMYLY-TVQRCGJNSA-N 2 2 238.400 2.849 10 0 BFAELP Cc1cc2[nH+]cn([C@@H]3CCC[C@@H]3[NH3+])c2cc1C ZINC000019280567 178305745 /nfs/dbraw/zinc/30/57/45/178305745.db2.gz JCECWGIILDFEPZ-WCQYABFASA-N 2 2 229.327 2.705 10 0 BFAELP Cc1cc2[nH+]cn(CC[NH2+]C(C)C)c2cc1C ZINC000042410081 178304718 /nfs/dbraw/zinc/30/47/18/178304718.db2.gz XJMHEMRGXGXQCD-UHFFFAOYSA-N 2 2 231.343 2.651 10 0 BFAELP CCC(CC)(CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386286542 398264130 /nfs/dbraw/zinc/26/41/30/398264130.db2.gz GTUFJLSEWOXACC-LBPRGKRZSA-N 2 2 212.381 2.639 10 0 BFAELP CCC(CC)(CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386286542 398264134 /nfs/dbraw/zinc/26/41/34/398264134.db2.gz GTUFJLSEWOXACC-LBPRGKRZSA-N 2 2 212.381 2.639 10 0 BFAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)c1ccccc1 ZINC000386648153 398265581 /nfs/dbraw/zinc/26/55/81/398265581.db2.gz PSSBHXNMNYWQFH-AWEZNQCLSA-N 2 2 232.371 2.606 10 0 BFAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)c1ccccc1 ZINC000386648153 398265582 /nfs/dbraw/zinc/26/55/82/398265582.db2.gz PSSBHXNMNYWQFH-AWEZNQCLSA-N 2 2 232.371 2.606 10 0 BFAELP Cc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853770 342814353 /nfs/dbraw/zinc/81/43/53/342814353.db2.gz IQNTZGYIFBRYNN-LZWOXQAQSA-N 2 2 246.398 2.973 10 0 BFAELP Cc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853770 342814354 /nfs/dbraw/zinc/81/43/54/342814354.db2.gz IQNTZGYIFBRYNN-LZWOXQAQSA-N 2 2 246.398 2.973 10 0 BFAELP CC(C)[N@H+](C)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000019486591 187252918 /nfs/dbraw/zinc/25/29/18/187252918.db2.gz JLDYRUCFYLBGFR-OAHLLOKOSA-N 2 2 232.371 2.517 10 0 BFAELP CC(C)[N@@H+](C)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000019486591 187252920 /nfs/dbraw/zinc/25/29/20/187252920.db2.gz JLDYRUCFYLBGFR-OAHLLOKOSA-N 2 2 232.371 2.517 10 0 BFAELP C[N@H+](CC1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000037925395 187261411 /nfs/dbraw/zinc/26/14/11/187261411.db2.gz HMLWWBCVBGOESV-MELADBBJSA-N 2 2 238.419 2.870 10 0 BFAELP C[N@@H+](CC1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000037925395 187261412 /nfs/dbraw/zinc/26/14/12/187261412.db2.gz HMLWWBCVBGOESV-MELADBBJSA-N 2 2 238.419 2.870 10 0 BFAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](C3CCC3)C1)CCCC2 ZINC000335862895 344034854 /nfs/dbraw/zinc/03/48/54/344034854.db2.gz ICHNHFZGFQZGLL-CYBMUJFWSA-N 2 2 245.370 2.561 10 0 BFAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](C3CCC3)C1)CCCC2 ZINC000335862895 344034855 /nfs/dbraw/zinc/03/48/55/344034855.db2.gz ICHNHFZGFQZGLL-CYBMUJFWSA-N 2 2 245.370 2.561 10 0 BFAELP C[C@@H](c1cccs1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000248081940 345035780 /nfs/dbraw/zinc/03/57/80/345035780.db2.gz QKUAWXYNIWEFTB-QWRGUYRKSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H](c1cccs1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000248081940 345035782 /nfs/dbraw/zinc/03/57/82/345035782.db2.gz QKUAWXYNIWEFTB-QWRGUYRKSA-N 2 2 224.373 2.622 10 0 BFAELP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)ccc1Cl ZINC000675054012 537891110 /nfs/dbraw/zinc/89/11/10/537891110.db2.gz LJYLKSVFFRRPIM-DGCLKSJQSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)ccc1Cl ZINC000675054012 537891120 /nfs/dbraw/zinc/89/11/20/537891120.db2.gz LJYLKSVFFRRPIM-DGCLKSJQSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cccc(C[NH2+][C@@H](C)C[NH+]2CCCC2)c1C ZINC000042278764 179096190 /nfs/dbraw/zinc/09/61/90/179096190.db2.gz IHLNXXXZNCHKLM-AWEZNQCLSA-N 2 2 246.398 2.877 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c1C ZINC000043314437 179184358 /nfs/dbraw/zinc/18/43/58/179184358.db2.gz CWDYZVXNZMBICJ-CQSZACIVSA-N 2 2 220.360 2.643 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C(C)C)c1C ZINC000043314437 179184359 /nfs/dbraw/zinc/18/43/59/179184359.db2.gz CWDYZVXNZMBICJ-CQSZACIVSA-N 2 2 220.360 2.643 10 0 BFAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C(C)C)c1 ZINC000042965476 179187761 /nfs/dbraw/zinc/18/77/61/179187761.db2.gz JONUYWJGGCOWDM-GXTWGEPZSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C(C)C)c1 ZINC000042965476 179187764 /nfs/dbraw/zinc/18/77/64/179187764.db2.gz JONUYWJGGCOWDM-GXTWGEPZSA-N 2 2 220.360 2.724 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000300984491 347324394 /nfs/dbraw/zinc/32/43/94/347324394.db2.gz USVVZQZYTHUORN-ZIAGYGMSSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000300984491 347324397 /nfs/dbraw/zinc/32/43/97/347324397.db2.gz USVVZQZYTHUORN-ZIAGYGMSSA-N 2 2 226.408 2.743 10 0 BFAELP Cc1ccccc1C[N@@H+](C)CC[NH2+]CC(C)C ZINC000052547057 179269178 /nfs/dbraw/zinc/26/91/78/179269178.db2.gz MCQQFXIISMKIKZ-UHFFFAOYSA-N 2 2 234.387 2.672 10 0 BFAELP Cc1ccccc1C[N@H+](C)CC[NH2+]CC(C)C ZINC000052547057 179269179 /nfs/dbraw/zinc/26/91/79/179269179.db2.gz MCQQFXIISMKIKZ-UHFFFAOYSA-N 2 2 234.387 2.672 10 0 BFAELP CC[N@@H+](CC(C)C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000669381398 537994777 /nfs/dbraw/zinc/99/47/77/537994777.db2.gz IFDDITBCRYEKNT-RDBSUJKOSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@H+](CC(C)C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000669381398 537994773 /nfs/dbraw/zinc/99/47/73/537994773.db2.gz IFDDITBCRYEKNT-RDBSUJKOSA-N 2 2 226.408 2.741 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104422004 179342432 /nfs/dbraw/zinc/34/24/32/179342432.db2.gz GRYLXMXVNVEVLL-YDHLFZDLSA-N 2 2 232.371 2.583 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104422004 179342434 /nfs/dbraw/zinc/34/24/34/179342434.db2.gz GRYLXMXVNVEVLL-YDHLFZDLSA-N 2 2 232.371 2.583 10 0 BFAELP Cc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@H]1[NH3+] ZINC000019406206 180102742 /nfs/dbraw/zinc/10/27/42/180102742.db2.gz BVSDNUSGUCOHFP-DGCLKSJQSA-N 2 2 229.327 2.787 10 0 BFAELP Cc1[nH+]c2ccccc2n1[C@H]1CCCC[C@@H]1[NH3+] ZINC000019406203 180103487 /nfs/dbraw/zinc/10/34/87/180103487.db2.gz BVSDNUSGUCOHFP-AAEUAGOBSA-N 2 2 229.327 2.787 10 0 BFAELP Cc1[nH+]c2ccccc2n1C[C@H]([NH3+])C(C)(C)C ZINC000019389675 180104757 /nfs/dbraw/zinc/10/47/57/180104757.db2.gz ZKUFUSXGIHAVNR-ZDUSSCGKSA-N 2 2 231.343 2.718 10 0 BFAELP Cc1[nH+]cn(-c2cccc(Cl)c2C[NH3+])c1C ZINC000051927462 180285985 /nfs/dbraw/zinc/28/59/85/180285985.db2.gz UUJNXKYVQKTVQU-UHFFFAOYSA-N 2 2 235.718 2.601 10 0 BFAELP CC(C)[N@@H+]1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616600885 350780557 /nfs/dbraw/zinc/78/05/57/350780557.db2.gz IUPWMJUBXYPMOW-GFCCVEGCSA-N 2 2 233.359 2.642 10 0 BFAELP CC(C)[N@H+]1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616600885 350780560 /nfs/dbraw/zinc/78/05/60/350780560.db2.gz IUPWMJUBXYPMOW-GFCCVEGCSA-N 2 2 233.359 2.642 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616601012 350781367 /nfs/dbraw/zinc/78/13/67/350781367.db2.gz JQEZAUWMSJTIMZ-LLVKDONJSA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616601012 350781371 /nfs/dbraw/zinc/78/13/71/350781371.db2.gz JQEZAUWMSJTIMZ-LLVKDONJSA-N 2 2 221.348 2.778 10 0 BFAELP c1[nH]cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616617792 350876305 /nfs/dbraw/zinc/87/63/05/350876305.db2.gz AORREEDOKTXBBH-CQSZACIVSA-N 2 2 241.338 2.789 10 0 BFAELP c1[nH]cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616617792 350876310 /nfs/dbraw/zinc/87/63/10/350876310.db2.gz AORREEDOKTXBBH-CQSZACIVSA-N 2 2 241.338 2.789 10 0 BFAELP CC[C@@H](C[NH2+]C)[N@H+](CC)Cc1ccccc1 ZINC000052443709 351001531 /nfs/dbraw/zinc/00/15/31/351001531.db2.gz HXMIRGXYMPXNTC-AWEZNQCLSA-N 2 2 220.360 2.507 10 0 BFAELP CC[C@@H](C[NH2+]C)[N@@H+](CC)Cc1ccccc1 ZINC000052443709 351001533 /nfs/dbraw/zinc/00/15/33/351001533.db2.gz HXMIRGXYMPXNTC-AWEZNQCLSA-N 2 2 220.360 2.507 10 0 BFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccccc1F ZINC000616624633 351091893 /nfs/dbraw/zinc/09/18/93/351091893.db2.gz DRMTZGWTIHNLOJ-AWEZNQCLSA-N 2 2 236.334 2.702 10 0 BFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccccc1F ZINC000616624633 351091897 /nfs/dbraw/zinc/09/18/97/351091897.db2.gz DRMTZGWTIHNLOJ-AWEZNQCLSA-N 2 2 236.334 2.702 10 0 BFAELP CC(C)(C)[N@@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616628244 351097447 /nfs/dbraw/zinc/09/74/47/351097447.db2.gz LQRRXIOGGBFYRO-LBPRGKRZSA-N 2 2 221.348 2.709 10 0 BFAELP CC(C)(C)[N@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616628244 351097449 /nfs/dbraw/zinc/09/74/49/351097449.db2.gz LQRRXIOGGBFYRO-LBPRGKRZSA-N 2 2 221.348 2.709 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C(C)(C)C ZINC000336740723 352371887 /nfs/dbraw/zinc/37/18/87/352371887.db2.gz QJAFOOBXCWMYGD-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C(C)(C)C ZINC000336740723 352371888 /nfs/dbraw/zinc/37/18/88/352371888.db2.gz QJAFOOBXCWMYGD-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CC(C)(C)[C@@H]1CCCC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000038086868 188291040 /nfs/dbraw/zinc/29/10/40/188291040.db2.gz DBEJNZJUYQXELB-ZIAGYGMSSA-N 2 2 238.419 2.887 10 0 BFAELP CC(C)(C)[C@@H]1CCCC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000038086868 188291042 /nfs/dbraw/zinc/29/10/42/188291042.db2.gz DBEJNZJUYQXELB-ZIAGYGMSSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000040502040 358492912 /nfs/dbraw/zinc/49/29/12/358492912.db2.gz ZSZZYZHPEQTMRU-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000040502040 358492915 /nfs/dbraw/zinc/49/29/15/358492915.db2.gz ZSZZYZHPEQTMRU-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(C)C)C2)C1 ZINC000389142879 355731289 /nfs/dbraw/zinc/73/12/89/355731289.db2.gz HNWBDXRIHPNWHT-ZNMIVQPWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(C)C)C2)C1 ZINC000389142879 355731291 /nfs/dbraw/zinc/73/12/91/355731291.db2.gz HNWBDXRIHPNWHT-ZNMIVQPWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389248906 355935529 /nfs/dbraw/zinc/93/55/29/355935529.db2.gz MITXOPKZDKBZNV-UONOGXRCSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389248906 355935534 /nfs/dbraw/zinc/93/55/34/355935534.db2.gz MITXOPKZDKBZNV-UONOGXRCSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000389267462 355943708 /nfs/dbraw/zinc/94/37/08/355943708.db2.gz QDCJBZJWKRRLTK-SNPRPXQTSA-N 2 2 236.403 2.663 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000389267462 355943711 /nfs/dbraw/zinc/94/37/11/355943711.db2.gz QDCJBZJWKRRLTK-SNPRPXQTSA-N 2 2 236.403 2.663 10 0 BFAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000389486459 356690838 /nfs/dbraw/zinc/69/08/38/356690838.db2.gz YOOCLAHTOGIUCU-STQMWFEESA-N 2 2 238.400 2.883 10 0 BFAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000389486459 356690844 /nfs/dbraw/zinc/69/08/44/356690844.db2.gz YOOCLAHTOGIUCU-STQMWFEESA-N 2 2 238.400 2.883 10 0 BFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000132238143 325206030 /nfs/dbraw/zinc/20/60/30/325206030.db2.gz CJTFNCNIEXBVDD-CBBWQLFWSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000132238143 325206035 /nfs/dbraw/zinc/20/60/35/325206035.db2.gz CJTFNCNIEXBVDD-CBBWQLFWSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[NH2+]CC[NH+]1CCC(c2ccccc2)CC1 ZINC000191397988 357768037 /nfs/dbraw/zinc/76/80/37/357768037.db2.gz OWJXPECYHDMUTA-UHFFFAOYSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000042325164 358521400 /nfs/dbraw/zinc/52/14/00/358521400.db2.gz FWGNJCPUVHMACL-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000042325164 358521401 /nfs/dbraw/zinc/52/14/01/358521401.db2.gz FWGNJCPUVHMACL-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000043393719 358536420 /nfs/dbraw/zinc/53/64/20/358536420.db2.gz LBRRNMPZZZGNOG-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000043393719 358536428 /nfs/dbraw/zinc/53/64/28/358536428.db2.gz LBRRNMPZZZGNOG-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000247207903 359202030 /nfs/dbraw/zinc/20/20/30/359202030.db2.gz WTPPQJOJWMQMMB-MJBXVCDLSA-N 2 2 248.370 2.865 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000247207903 359202034 /nfs/dbraw/zinc/20/20/34/359202034.db2.gz WTPPQJOJWMQMMB-MJBXVCDLSA-N 2 2 248.370 2.865 10 0 BFAELP [NH3+]C1(C[N@H+](Cc2ccco2)C2CC2)CCCCC1 ZINC000042693311 181331426 /nfs/dbraw/zinc/33/14/26/181331426.db2.gz LDBRAXXYRMFBIR-UHFFFAOYSA-N 2 2 248.370 2.906 10 0 BFAELP [NH3+]C1(C[N@@H+](Cc2ccco2)C2CC2)CCCCC1 ZINC000042693311 181331428 /nfs/dbraw/zinc/33/14/28/181331428.db2.gz LDBRAXXYRMFBIR-UHFFFAOYSA-N 2 2 248.370 2.906 10 0 BFAELP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000328227699 363861754 /nfs/dbraw/zinc/86/17/54/363861754.db2.gz CDZLKRSEOXIVBK-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000328227699 363861758 /nfs/dbraw/zinc/86/17/58/363861758.db2.gz CDZLKRSEOXIVBK-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP c1cc(C2CC2)cc2[nH+]c(C3CC[NH2+]CC3)[nH]c12 ZINC000140082427 368346841 /nfs/dbraw/zinc/34/68/41/368346841.db2.gz PTMAQZLDISHYNF-UHFFFAOYSA-N 2 2 241.338 2.907 10 0 BFAELP CCCC[C@H]([NH3+])c1c[nH+]c2ccc(C)cn21 ZINC000031911450 169009318 /nfs/dbraw/zinc/00/93/18/169009318.db2.gz ZBDAZHHOGISCNN-NSHDSACASA-N 2 2 217.316 2.833 10 0 BFAELP CCC[N@H+](C)[C@@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037098132 169087469 /nfs/dbraw/zinc/08/74/69/169087469.db2.gz DRFIWWPDTQMNEA-OCCSQVGLSA-N 2 2 226.408 2.872 10 0 BFAELP CCC[N@@H+](C)[C@@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037098132 169087470 /nfs/dbraw/zinc/08/74/70/169087470.db2.gz DRFIWWPDTQMNEA-OCCSQVGLSA-N 2 2 226.408 2.872 10 0 BFAELP CCC[N@H+]([C@@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000037096904 169090417 /nfs/dbraw/zinc/09/04/17/169090417.db2.gz OGKTYFOJDKHEBR-HNNXBMFYSA-N 2 2 232.371 2.869 10 0 BFAELP CCC[N@@H+]([C@@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000037096904 169090421 /nfs/dbraw/zinc/09/04/21/169090421.db2.gz OGKTYFOJDKHEBR-HNNXBMFYSA-N 2 2 232.371 2.869 10 0 BFAELP CCC[N@H+]([C@@H](C[NH3+])c1cccc(OC)c1)C1CC1 ZINC000037096926 169090570 /nfs/dbraw/zinc/09/05/70/169090570.db2.gz VEJLDSISBOUVKF-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[N@@H+]([C@@H](C[NH3+])c1cccc(OC)c1)C1CC1 ZINC000037096926 169090571 /nfs/dbraw/zinc/09/05/71/169090571.db2.gz VEJLDSISBOUVKF-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[NH+](CCC)[C@](C)(C[NH3+])CC(C)C ZINC000019807868 169152310 /nfs/dbraw/zinc/15/23/10/169152310.db2.gz MUKHEHXAGMVHMH-ZDUSSCGKSA-N 2 2 214.397 2.872 10 0 BFAELP CCC[NH+](CCC)[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000023070893 169150964 /nfs/dbraw/zinc/15/09/64/169150964.db2.gz VUOJECIVRFASCS-RWMBFGLXSA-N 2 2 212.381 2.624 10 0 BFAELP CCC[NH+](CCC)[C@H]1CCCCC[C@H]1[NH3+] ZINC000023069747 169152095 /nfs/dbraw/zinc/15/20/95/169152095.db2.gz FNQLWPSIKOVTMT-OLZOCXBDSA-N 2 2 212.381 2.768 10 0 BFAELP CCC[NH2+]C1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000037635833 169255356 /nfs/dbraw/zinc/25/53/56/169255356.db2.gz OAPGPYYPRCDNDB-CYBMUJFWSA-N 2 2 247.386 2.607 10 0 BFAELP CCC[NH2+]C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000052424541 169261756 /nfs/dbraw/zinc/26/17/56/169261756.db2.gz LMMMYQUBPSLQAI-CQSZACIVSA-N 2 2 234.387 2.815 10 0 BFAELP CCC[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424541 169261758 /nfs/dbraw/zinc/26/17/58/169261758.db2.gz LMMMYQUBPSLQAI-CQSZACIVSA-N 2 2 234.387 2.815 10 0 BFAELP c1[nH+]cn(C[C@H]2CCC[NH2+]C2)c1-c1ccccc1 ZINC000082657145 183380683 /nfs/dbraw/zinc/38/06/83/183380683.db2.gz QIXKBEDQFPXJNN-ZDUSSCGKSA-N 2 2 241.338 2.550 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccoc1C ZINC000035586307 169289690 /nfs/dbraw/zinc/28/96/90/169289690.db2.gz GTNXLRXLPUHBQJ-GFCCVEGCSA-N 2 2 233.315 2.595 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000035586603 169279023 /nfs/dbraw/zinc/27/90/23/169279023.db2.gz RFEVZLZGVGADFJ-ZDUSSCGKSA-N 2 2 247.317 2.832 10 0 BFAELP CCC[NH2+][C@@H]1CCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050911107 169281973 /nfs/dbraw/zinc/28/19/73/169281973.db2.gz QNPUUZRYRQHCAR-HZPDHXFCSA-N 2 2 244.382 2.923 10 0 BFAELP CCCOc1ccc([C@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000023071996 169322229 /nfs/dbraw/zinc/32/22/29/169322229.db2.gz QPQRVLCXVRFVGK-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP CCC[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000366208177 169371043 /nfs/dbraw/zinc/37/10/43/169371043.db2.gz GOBGJIRHSONTIH-VXGBXAGGSA-N 2 2 221.348 2.539 10 0 BFAELP CCC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000310034912 384594136 /nfs/dbraw/zinc/59/41/36/384594136.db2.gz SSJGXYVSNPGFKS-UONOGXRCSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000310034912 384594143 /nfs/dbraw/zinc/59/41/43/384594143.db2.gz SSJGXYVSNPGFKS-UONOGXRCSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000083055428 384742220 /nfs/dbraw/zinc/74/22/20/384742220.db2.gz JXJRZRVLNAAYFK-KBPBESRZSA-N 2 2 226.408 2.741 10 0 BFAELP CCC[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000366208175 384920661 /nfs/dbraw/zinc/92/06/61/384920661.db2.gz GOBGJIRHSONTIH-NWDGAFQWSA-N 2 2 221.348 2.539 10 0 BFAELP C[C@@H]1C[C@H](Oc2ccc3c[nH+]ccc3c2)CC[NH2+]1 ZINC000202373685 385595669 /nfs/dbraw/zinc/59/56/69/385595669.db2.gz VANWFDMUTAAJST-IAQYHMDHSA-N 2 2 242.322 2.754 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C(C)(C)C ZINC000336740722 385820062 /nfs/dbraw/zinc/82/00/62/385820062.db2.gz QJAFOOBXCWMYGD-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C(C)(C)C ZINC000336740722 385820067 /nfs/dbraw/zinc/82/00/67/385820067.db2.gz QJAFOOBXCWMYGD-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000336742398 385946615 /nfs/dbraw/zinc/94/66/15/385946615.db2.gz RYPRWWBRHNIRMO-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000336742398 385946624 /nfs/dbraw/zinc/94/66/24/385946624.db2.gz RYPRWWBRHNIRMO-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000414317411 386118533 /nfs/dbraw/zinc/11/85/33/386118533.db2.gz ACPJUVVCNYOPHI-CABCVRRESA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000414317411 386118539 /nfs/dbraw/zinc/11/85/39/386118539.db2.gz ACPJUVVCNYOPHI-CABCVRRESA-N 2 2 236.403 2.639 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccs1 ZINC000396557736 386773778 /nfs/dbraw/zinc/77/37/78/386773778.db2.gz GVWJRVUOORRMHD-OUAUKWLOSA-N 2 2 224.373 2.539 10 0 BFAELP C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000400589122 387154950 /nfs/dbraw/zinc/15/49/50/387154950.db2.gz TUGHCYMCUWITDP-OUAUKWLOSA-N 2 2 224.373 2.539 10 0 BFAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000400589118 387155039 /nfs/dbraw/zinc/15/50/39/387155039.db2.gz TUGHCYMCUWITDP-GARJFASQSA-N 2 2 224.373 2.539 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CC1CC1 ZINC000120348845 387232167 /nfs/dbraw/zinc/23/21/67/387232167.db2.gz BXQDMEHBARZDBQ-TZMCWYRMSA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000083055435 387396668 /nfs/dbraw/zinc/39/66/68/387396668.db2.gz JXJRZRVLNAAYFK-ZIAGYGMSSA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccs1 ZINC000396685345 387483275 /nfs/dbraw/zinc/48/32/75/387483275.db2.gz XXERAUXLXDQRHM-SRVKXCTJSA-N 2 2 238.400 2.929 10 0 BFAELP CCC[C@H]1CCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000393784256 387874452 /nfs/dbraw/zinc/87/44/52/387874452.db2.gz SGJSQAGFUQWXOM-UONOGXRCSA-N 2 2 226.408 2.887 10 0 BFAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000328514877 388644762 /nfs/dbraw/zinc/64/47/62/388644762.db2.gz PDNABGMQZLSQHF-GJZGRUSLSA-N 2 2 232.371 2.822 10 0 BFAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000328514877 388644763 /nfs/dbraw/zinc/64/47/63/388644763.db2.gz PDNABGMQZLSQHF-GJZGRUSLSA-N 2 2 232.371 2.822 10 0 BFAELP [NH3+]Cc1cc(N2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000051397083 132360315 /nfs/dbraw/zinc/36/03/15/132360315.db2.gz DXNBAGDXVRYASO-QWHCGFSZSA-N 2 2 245.370 2.557 10 0 BFAELP CC(C)[NH2+]CC[N@H+](C)CCCCc1ccccc1 ZINC000181269380 134334409 /nfs/dbraw/zinc/33/44/09/134334409.db2.gz UENRYOVQCPAOGA-UHFFFAOYSA-N 2 2 248.414 2.939 10 0 BFAELP CC(C)[NH2+]CC[N@@H+](C)CCCCc1ccccc1 ZINC000181269380 134334410 /nfs/dbraw/zinc/33/44/10/134334410.db2.gz UENRYOVQCPAOGA-UHFFFAOYSA-N 2 2 248.414 2.939 10 0 BFAELP CC(C)=CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248669601 135018375 /nfs/dbraw/zinc/01/83/75/135018375.db2.gz PWGMGDSVTKNBPS-HOTGVXAUSA-N 2 2 244.382 2.988 10 0 BFAELP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248669601 135018376 /nfs/dbraw/zinc/01/83/76/135018376.db2.gz PWGMGDSVTKNBPS-HOTGVXAUSA-N 2 2 244.382 2.988 10 0 BFAELP Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000261535414 135169317 /nfs/dbraw/zinc/16/93/17/135169317.db2.gz YJHAYLFEXKCPMW-JQWIXIFHSA-N 2 2 238.400 2.616 10 0 BFAELP Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000261535414 135169318 /nfs/dbraw/zinc/16/93/18/135169318.db2.gz YJHAYLFEXKCPMW-JQWIXIFHSA-N 2 2 238.400 2.616 10 0 BFAELP CC(C)[NH2+]C[C@H](C)[NH+]1CCCCCCC1 ZINC000052424852 167113160 /nfs/dbraw/zinc/11/31/60/167113160.db2.gz OBRRXROTPOPGAH-ZDUSSCGKSA-N 2 2 212.381 2.639 10 0 BFAELP CC(C)[NH2+]CCCCc1ccc2[nH]c[nH+]c2c1 ZINC000077361899 167102997 /nfs/dbraw/zinc/10/29/97/167102997.db2.gz ITFPHLKITOCRLD-UHFFFAOYSA-N 2 2 231.343 2.884 10 0 BFAELP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000062945570 167113721 /nfs/dbraw/zinc/11/37/21/167113721.db2.gz ZJVBCOKLMRHNON-AWEZNQCLSA-N 2 2 246.398 2.821 10 0 BFAELP CC(C)[NH2+]C[C@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000062945570 167113724 /nfs/dbraw/zinc/11/37/24/167113724.db2.gz ZJVBCOKLMRHNON-AWEZNQCLSA-N 2 2 246.398 2.821 10 0 BFAELP CC(C)[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000036787013 167369296 /nfs/dbraw/zinc/36/92/96/167369296.db2.gz NBVSKSVCCPBIOP-RISCZKNCSA-N 2 2 238.350 2.802 10 0 BFAELP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000036787013 167369299 /nfs/dbraw/zinc/36/92/99/167369299.db2.gz NBVSKSVCCPBIOP-RISCZKNCSA-N 2 2 238.350 2.802 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCCc1ccccc1 ZINC000049197019 167395480 /nfs/dbraw/zinc/39/54/80/167395480.db2.gz XIHNSBNQVPFDEU-MRXNPFEDSA-N 2 2 248.414 2.795 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000401778313 411328392 /nfs/dbraw/zinc/32/83/92/411328392.db2.gz OSTOZUKUHKHOGW-VNHYZAJKSA-N 2 2 232.371 2.644 10 0 BFAELP CC1CCC([N@H+](C)C[C@](C)([NH3+])C2CC2)CC1 ZINC000042488260 168159072 /nfs/dbraw/zinc/15/90/72/168159072.db2.gz BDZLVZVQCMZKJV-UBHUBRDASA-N 2 2 224.392 2.624 10 0 BFAELP CC1CCC([N@@H+](C)C[C@](C)([NH3+])C2CC2)CC1 ZINC000042488260 168159073 /nfs/dbraw/zinc/15/90/73/168159073.db2.gz BDZLVZVQCMZKJV-UBHUBRDASA-N 2 2 224.392 2.624 10 0 BFAELP CC1CC[NH+]([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000019807606 168187495 /nfs/dbraw/zinc/18/74/95/168187495.db2.gz XWNIDCVXSORJSW-ZIAGYGMSSA-N 2 2 224.392 2.626 10 0 BFAELP CCC1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657316855 411462449 /nfs/dbraw/zinc/46/24/49/411462449.db2.gz UZQSBLKIDGTMSU-UHFFFAOYSA-N 2 2 247.386 2.888 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328233386 170011967 /nfs/dbraw/zinc/01/19/67/170011967.db2.gz FNHKPEDIOJVROW-GDBMZVCRSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328233386 170011968 /nfs/dbraw/zinc/01/19/68/170011968.db2.gz FNHKPEDIOJVROW-GDBMZVCRSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000336776271 170039318 /nfs/dbraw/zinc/03/93/18/170039318.db2.gz FIKXQVLZYWDVPP-BFHYXJOUSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000336776271 170039319 /nfs/dbraw/zinc/03/93/19/170039319.db2.gz FIKXQVLZYWDVPP-BFHYXJOUSA-N 2 2 226.408 2.741 10 0 BFAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)o2)CC1 ZINC000049216727 170109991 /nfs/dbraw/zinc/10/99/91/170109991.db2.gz QJDCDKONMQMLLA-LBPRGKRZSA-N 2 2 236.359 2.723 10 0 BFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000052419040 170118408 /nfs/dbraw/zinc/11/84/08/170118408.db2.gz REUPZZMDGGOITF-INIZCTEOSA-N 2 2 246.398 2.679 10 0 BFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000052419040 170118410 /nfs/dbraw/zinc/11/84/10/170118410.db2.gz REUPZZMDGGOITF-INIZCTEOSA-N 2 2 246.398 2.679 10 0 BFAELP CC[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000019905989 170120443 /nfs/dbraw/zinc/12/04/43/170120443.db2.gz JYEWLUWVSXQXKJ-AWEZNQCLSA-N 2 2 220.360 2.679 10 0 BFAELP CC[NH2+]Cc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000051927415 170126452 /nfs/dbraw/zinc/12/64/52/170126452.db2.gz ICOQOALTUJRHMK-UHFFFAOYSA-N 2 2 229.327 2.599 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccc(C)o2)[C@H](C)C1 ZINC000053038522 170151635 /nfs/dbraw/zinc/15/16/35/170151635.db2.gz UHKLPHVXYIMURJ-DGCLKSJQSA-N 2 2 236.359 2.550 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C)o2)[C@H](C)C1 ZINC000053038522 170151636 /nfs/dbraw/zinc/15/16/36/170151636.db2.gz UHKLPHVXYIMURJ-DGCLKSJQSA-N 2 2 236.359 2.550 10 0 BFAELP CC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CCC(C)C ZINC000082647081 170159372 /nfs/dbraw/zinc/15/93/72/170159372.db2.gz JQXWNNOIXSDQBT-ZIAGYGMSSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CCC(C)C ZINC000082647081 170159373 /nfs/dbraw/zinc/15/93/73/170159373.db2.gz JQXWNNOIXSDQBT-ZIAGYGMSSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@]1(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC[NH2+]C1 ZINC000062915221 171217162 /nfs/dbraw/zinc/21/71/62/171217162.db2.gz MPAOBKROBFCFDQ-OAHLLOKOSA-N 2 2 243.354 2.821 10 0 BFAELP CC[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671104 171348728 /nfs/dbraw/zinc/34/87/28/171348728.db2.gz JOUKIXDPKZNZKU-HOCLYGCPSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671104 171348730 /nfs/dbraw/zinc/34/87/30/171348730.db2.gz JOUKIXDPKZNZKU-HOCLYGCPSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H](C)[C@@H](C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000037228124 171368568 /nfs/dbraw/zinc/36/85/68/171368568.db2.gz JXSXJOWHAJLTPY-SMDDNHRTSA-N 2 2 238.350 2.631 10 0 BFAELP CC[C@H](C)[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000037228124 171368570 /nfs/dbraw/zinc/36/85/70/171368570.db2.gz JXSXJOWHAJLTPY-SMDDNHRTSA-N 2 2 238.350 2.631 10 0 BFAELP CCc1[nH]c2ccc(CCC[NH2+]C3CC3)cc2[nH+]1 ZINC000107291963 172010086 /nfs/dbraw/zinc/01/00/86/172010086.db2.gz YURUTRWPTFXSCC-UHFFFAOYSA-N 2 2 243.354 2.810 10 0 BFAELP CCc1[nH]c2cc(CCC[NH2+]C3CC3)ccc2[nH+]1 ZINC000107291963 172010087 /nfs/dbraw/zinc/01/00/87/172010087.db2.gz YURUTRWPTFXSCC-UHFFFAOYSA-N 2 2 243.354 2.810 10 0 BFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000035504116 173455317 /nfs/dbraw/zinc/45/53/17/173455317.db2.gz FXGGBEOKFBGFBX-LLVKDONJSA-N 2 2 235.718 2.566 10 0 BFAELP COc1cccc([C@H](C[NH3+])[NH+]2CCCCCC2)c1 ZINC000038785089 175294075 /nfs/dbraw/zinc/29/40/75/175294075.db2.gz QWQGDSUPEFPIMB-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP C[C@@H](c1cc2ccccc2o1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086803 176012663 /nfs/dbraw/zinc/01/26/63/176012663.db2.gz DPGDJTKMNSUMEC-LBPRGKRZSA-N 2 2 244.338 2.789 10 0 BFAELP C[C@@H](c1cc2ccccc2o1)[N@H+]1CCC[NH2+]CC1 ZINC000038086803 176012665 /nfs/dbraw/zinc/01/26/65/176012665.db2.gz DPGDJTKMNSUMEC-LBPRGKRZSA-N 2 2 244.338 2.789 10 0 BFAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([NH+]2CCCC2)C1 ZINC000019807630 176052471 /nfs/dbraw/zinc/05/24/71/176052471.db2.gz VHPOCADVFHCBJY-TZMCWYRMSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000019266332 176075677 /nfs/dbraw/zinc/07/56/77/176075677.db2.gz JGVJZVCQNRMHMZ-OCCSQVGLSA-N 2 2 218.344 2.561 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000019266332 176075678 /nfs/dbraw/zinc/07/56/78/176075678.db2.gz JGVJZVCQNRMHMZ-OCCSQVGLSA-N 2 2 218.344 2.561 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCCCCC1 ZINC000019807724 176083872 /nfs/dbraw/zinc/08/38/72/176083872.db2.gz CNWKKDXQLZKBSS-KGLIPLIRSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1CCCN1c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000037909611 176111930 /nfs/dbraw/zinc/11/19/30/176111930.db2.gz VRMAATBGZZBKBU-LLVKDONJSA-N 2 2 241.338 2.682 10 0 BFAELP C[C@H](c1cccs1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC000054135283 177048585 /nfs/dbraw/zinc/04/85/85/177048585.db2.gz KQFCJXXZUUGLJQ-VXGBXAGGSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@H](c1cccs1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC000054135283 177048587 /nfs/dbraw/zinc/04/85/87/177048587.db2.gz KQFCJXXZUUGLJQ-VXGBXAGGSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000019386564 177078878 /nfs/dbraw/zinc/07/88/78/177078878.db2.gz MVVBQYANNJLKPL-FZMZJTMJSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000019386564 177078879 /nfs/dbraw/zinc/07/88/79/177078879.db2.gz MVVBQYANNJLKPL-FZMZJTMJSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCC[N@@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC000034790240 177085655 /nfs/dbraw/zinc/08/56/55/177085655.db2.gz TWBWNNGBUFKBDH-RDBSUJKOSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[N@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC000034790240 177085656 /nfs/dbraw/zinc/08/56/56/177085656.db2.gz TWBWNNGBUFKBDH-RDBSUJKOSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCC[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000037910404 177108692 /nfs/dbraw/zinc/10/86/92/177108692.db2.gz JOLKXWJZXOHKSE-LBPRGKRZSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@H]1CCC[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000037910404 177108694 /nfs/dbraw/zinc/10/86/94/177108694.db2.gz JOLKXWJZXOHKSE-LBPRGKRZSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@H]1CCC[C@@H](N(C)c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051397468 177121361 /nfs/dbraw/zinc/12/13/61/177121361.db2.gz UXAMEHKSNIUEII-WCQYABFASA-N 2 2 233.359 2.555 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccco2)C1 ZINC000035126770 177127856 /nfs/dbraw/zinc/12/78/56/177127856.db2.gz HOUXRASABSNIFH-GXTWGEPZSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccco2)C1 ZINC000035126770 177127858 /nfs/dbraw/zinc/12/78/58/177127858.db2.gz HOUXRASABSNIFH-GXTWGEPZSA-N 2 2 236.359 2.619 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811630 226352095 /nfs/dbraw/zinc/35/20/95/226352095.db2.gz YOUNPUBBXRHTLW-GZBFAFLISA-N 2 2 232.371 2.786 10 0 BFAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000132522026 325223115 /nfs/dbraw/zinc/22/31/15/325223115.db2.gz FAUJDKMHTMCDCR-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000132522026 325223117 /nfs/dbraw/zinc/22/31/17/325223117.db2.gz FAUJDKMHTMCDCR-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086856914 535540180 /nfs/dbraw/zinc/54/01/80/535540180.db2.gz GEIQQJDWKJMLKN-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086856914 535540187 /nfs/dbraw/zinc/54/01/87/535540187.db2.gz GEIQQJDWKJMLKN-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000164483833 536094641 /nfs/dbraw/zinc/09/46/41/536094641.db2.gz STVXYNJYIYATRW-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000164483833 536094643 /nfs/dbraw/zinc/09/46/43/536094643.db2.gz STVXYNJYIYATRW-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CCC1(C)CC[NH+]([C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396598583 583085481 /nfs/dbraw/zinc/08/54/81/583085481.db2.gz GHUMNWBFHYXLNO-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757135291 582514165 /nfs/dbraw/zinc/51/41/65/582514165.db2.gz ZPEMEHFKLPRWAV-BBRMVZONSA-N 2 2 248.414 2.735 10 0 BFAELP C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757135291 582514167 /nfs/dbraw/zinc/51/41/67/582514167.db2.gz ZPEMEHFKLPRWAV-BBRMVZONSA-N 2 2 248.414 2.735 10 0 BFAELP C[C@@H]1CC[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)[C@H]1[NH3+] ZINC000757209326 586438254 /nfs/dbraw/zinc/43/82/54/586438254.db2.gz DOFKNLFDXRHLGH-UGFHNGPFSA-N 2 2 244.382 2.736 10 0 BFAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cscc1C(F)F ZINC000757239540 586444105 /nfs/dbraw/zinc/44/41/05/586444105.db2.gz UNPVPRGVMKJQOL-BRDIYROLSA-N 2 2 246.326 2.684 10 0 BFAELP CC(C)C[C@@H](C[NH2+]CCc1ccccc1)[NH+](C)C ZINC000020201177 633810933 /nfs/dbraw/zinc/81/09/33/633810933.db2.gz MRJVXARNIGPVOF-INIZCTEOSA-N 2 2 248.414 2.795 10 0 BFAELP Cc1cc(N[C@@H]2CC[N@@H+](C)C2)c2ccccc2[nH+]1 ZINC000042548119 178181639 /nfs/dbraw/zinc/18/16/39/178181639.db2.gz PBUMQGRHOVSPRY-GFCCVEGCSA-N 2 2 241.338 2.659 10 0 BFAELP Cc1cc(N[C@@H]2CC[N@H+](C)C2)c2ccccc2[nH+]1 ZINC000042548119 178181642 /nfs/dbraw/zinc/18/16/42/178181642.db2.gz PBUMQGRHOVSPRY-GFCCVEGCSA-N 2 2 241.338 2.659 10 0 BFAELP Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)ccc1[NH3+] ZINC000049555018 178186749 /nfs/dbraw/zinc/18/67/49/178186749.db2.gz UPXYINWLXOFZIJ-CQSZACIVSA-N 2 2 249.402 2.965 10 0 BFAELP Cc1cc2[nH+]cn([C@@H]3CCC[C@H]3[NH3+])c2cc1C ZINC000019280572 178305251 /nfs/dbraw/zinc/30/52/51/178305251.db2.gz JCECWGIILDFEPZ-DGCLKSJQSA-N 2 2 229.327 2.705 10 0 BFAELP Cc1cc2[nH+]cn([C@H]3CCC[C@H]3[NH3+])c2cc1C ZINC000019280574 178305011 /nfs/dbraw/zinc/30/50/11/178305011.db2.gz JCECWGIILDFEPZ-YPMHNXCESA-N 2 2 229.327 2.705 10 0 BFAELP CCC(CC)[N@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000036788709 168369524 /nfs/dbraw/zinc/36/95/24/168369524.db2.gz OXTSRFBMMZSJDU-CQSZACIVSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000036788709 168369525 /nfs/dbraw/zinc/36/95/25/168369525.db2.gz OXTSRFBMMZSJDU-CQSZACIVSA-N 2 2 238.350 2.946 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000381706654 539005726 /nfs/dbraw/zinc/00/57/26/539005726.db2.gz JKBMNBWFKUGYMY-MELADBBJSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000381706654 539005728 /nfs/dbraw/zinc/00/57/28/539005728.db2.gz JKBMNBWFKUGYMY-MELADBBJSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000381656291 539005868 /nfs/dbraw/zinc/00/58/68/539005868.db2.gz FIGWMCQYEIEZPB-DMDPSCGWSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000381656291 539005869 /nfs/dbraw/zinc/00/58/69/539005869.db2.gz FIGWMCQYEIEZPB-DMDPSCGWSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000040502112 346901905 /nfs/dbraw/zinc/90/19/05/346901905.db2.gz IWUNFLXRZUORRW-CQSZACIVSA-N 2 2 224.392 2.641 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000040502112 346901907 /nfs/dbraw/zinc/90/19/07/346901907.db2.gz IWUNFLXRZUORRW-CQSZACIVSA-N 2 2 224.392 2.641 10 0 BFAELP CC(C)c1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946350 343013226 /nfs/dbraw/zinc/01/32/26/343013226.db2.gz IFCFUJFCCMNNJM-UHFFFAOYSA-N 2 2 243.354 2.865 10 0 BFAELP CC(C)c1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946350 343013230 /nfs/dbraw/zinc/01/32/30/343013230.db2.gz IFCFUJFCCMNNJM-UHFFFAOYSA-N 2 2 243.354 2.865 10 0 BFAELP Cc1ccc(CCC[NH2+][C@H](C)C(C)C)c[nH+]1 ZINC000309368044 178531405 /nfs/dbraw/zinc/53/14/05/178531405.db2.gz PWRHVTNCPBWQOM-CYBMUJFWSA-N 2 2 220.360 2.957 10 0 BFAELP CCC[C@@H](CC)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000132706356 344306857 /nfs/dbraw/zinc/30/68/57/344306857.db2.gz GUEMRIMLWBMCFP-OLZOCXBDSA-N 2 2 212.381 2.639 10 0 BFAELP CCC[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000132706356 344306860 /nfs/dbraw/zinc/30/68/60/344306860.db2.gz GUEMRIMLWBMCFP-OLZOCXBDSA-N 2 2 212.381 2.639 10 0 BFAELP C[C@@H](c1cccs1)[N@H+](C)C[C@H]1CCCC[NH2+]1 ZINC000248021925 345015503 /nfs/dbraw/zinc/01/55/03/345015503.db2.gz JBDXOVDMCLTSJR-NWDGAFQWSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CCCC[NH2+]1 ZINC000248021925 345015505 /nfs/dbraw/zinc/01/55/05/345015505.db2.gz JBDXOVDMCLTSJR-NWDGAFQWSA-N 2 2 238.400 2.883 10 0 BFAELP Cc1cccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)c1C ZINC000042325150 179098371 /nfs/dbraw/zinc/09/83/71/179098371.db2.gz HJADGNWLZGDMRD-INIZCTEOSA-N 2 2 248.414 2.979 10 0 BFAELP Cc1cccc(NC[C@@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000038029228 179146529 /nfs/dbraw/zinc/14/65/29/179146529.db2.gz OKNKNGVLFNGMRD-CYBMUJFWSA-N 2 2 233.359 2.676 10 0 BFAELP Cc1ccccc1C[N@@H+](C)[C@H](C)C[NH2+]C(C)C ZINC000052547022 179270609 /nfs/dbraw/zinc/27/06/09/179270609.db2.gz AJAUJNQTOVNROB-CQSZACIVSA-N 2 2 234.387 2.813 10 0 BFAELP Cc1ccccc1C[N@H+](C)[C@H](C)C[NH2+]C(C)C ZINC000052547022 179270610 /nfs/dbraw/zinc/27/06/10/179270610.db2.gz AJAUJNQTOVNROB-CQSZACIVSA-N 2 2 234.387 2.813 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000036785016 179342544 /nfs/dbraw/zinc/34/25/44/179342544.db2.gz LTTYHHGWQHWRLS-WFASDCNBSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000036785016 179342546 /nfs/dbraw/zinc/34/25/46/179342546.db2.gz LTTYHHGWQHWRLS-WFASDCNBSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H]2C)n1-c1ccccc1 ZINC000081292693 180158735 /nfs/dbraw/zinc/15/87/35/180158735.db2.gz GQCJPOXBYNNVMQ-ABAIWWIYSA-N 2 2 241.338 2.679 10 0 BFAELP CC(C)(C)[N@@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616603290 350789223 /nfs/dbraw/zinc/78/92/23/350789223.db2.gz FPSBPSOMXTVVIU-NSHDSACASA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[N@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616603290 350789225 /nfs/dbraw/zinc/78/92/25/350789225.db2.gz FPSBPSOMXTVVIU-NSHDSACASA-N 2 2 221.348 2.778 10 0 BFAELP CC[N@H+](CC[NH2+]CC(C)C)Cc1ccccc1 ZINC000052443737 351000845 /nfs/dbraw/zinc/00/08/45/351000845.db2.gz WYJJQUIDGNCWAV-UHFFFAOYSA-N 2 2 234.387 2.754 10 0 BFAELP CC[N@@H+](CC[NH2+]CC(C)C)Cc1ccccc1 ZINC000052443737 351000848 /nfs/dbraw/zinc/00/08/48/351000848.db2.gz WYJJQUIDGNCWAV-UHFFFAOYSA-N 2 2 234.387 2.754 10 0 BFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000616624572 351092177 /nfs/dbraw/zinc/09/21/77/351092177.db2.gz BBSLHDRUKGZWQC-AWEZNQCLSA-N 2 2 236.334 2.702 10 0 BFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000616624572 351092180 /nfs/dbraw/zinc/09/21/80/351092180.db2.gz BBSLHDRUKGZWQC-AWEZNQCLSA-N 2 2 236.334 2.702 10 0 BFAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000036875214 188286134 /nfs/dbraw/zinc/28/61/34/188286134.db2.gz KMZVXCZNYLLORD-DZGCQCFKSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000036875214 188286136 /nfs/dbraw/zinc/28/61/36/188286136.db2.gz KMZVXCZNYLLORD-DZGCQCFKSA-N 2 2 232.371 2.869 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CC(C)(C)C1 ZINC000309344826 188345346 /nfs/dbraw/zinc/34/53/46/188345346.db2.gz LLFRDYCHUBHDFC-GFCCVEGCSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000040502081 358492884 /nfs/dbraw/zinc/49/28/84/358492884.db2.gz KPEWKZJUVODEMG-MELADBBJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000040502081 358492886 /nfs/dbraw/zinc/49/28/86/358492886.db2.gz KPEWKZJUVODEMG-MELADBBJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000040502892 358494201 /nfs/dbraw/zinc/49/42/01/358494201.db2.gz JUZIUOLARASFMD-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000040502892 358494204 /nfs/dbraw/zinc/49/42/04/358494204.db2.gz JUZIUOLARASFMD-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000389197315 355838346 /nfs/dbraw/zinc/83/83/46/355838346.db2.gz XPRFQFPXTMOLRJ-INIZCTEOSA-N 2 2 246.398 2.796 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000389197315 355838351 /nfs/dbraw/zinc/83/83/51/355838351.db2.gz XPRFQFPXTMOLRJ-INIZCTEOSA-N 2 2 246.398 2.796 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389268649 355943455 /nfs/dbraw/zinc/94/34/55/355943455.db2.gz QLQSWMPSOJTNMT-KKUMJFAQSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389268649 355943459 /nfs/dbraw/zinc/94/34/59/355943459.db2.gz QLQSWMPSOJTNMT-KKUMJFAQSA-N 2 2 236.403 2.639 10 0 BFAELP CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000393741785 259466004 /nfs/dbraw/zinc/46/60/04/259466004.db2.gz HNXDYBVHLZMBSQ-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(Cl)c1 ZINC000675055811 538476482 /nfs/dbraw/zinc/47/64/82/538476482.db2.gz YWHLJLRPGNEZEF-VXGBXAGGSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(Cl)c1 ZINC000675055811 538476484 /nfs/dbraw/zinc/47/64/84/538476484.db2.gz YWHLJLRPGNEZEF-VXGBXAGGSA-N 2 2 242.725 2.573 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000043393721 358537079 /nfs/dbraw/zinc/53/70/79/358537079.db2.gz LBRRNMPZZZGNOG-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000043393721 358537080 /nfs/dbraw/zinc/53/70/80/358537080.db2.gz LBRRNMPZZZGNOG-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+](C)CC[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000054110282 358852752 /nfs/dbraw/zinc/85/27/52/358852752.db2.gz BWLDEPKJQIIRJM-UHFFFAOYSA-N 2 2 246.398 2.782 10 0 BFAELP CC[N@@H+](C)CC[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000054110282 358852756 /nfs/dbraw/zinc/85/27/56/358852756.db2.gz BWLDEPKJQIIRJM-UHFFFAOYSA-N 2 2 246.398 2.782 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000089576832 360027910 /nfs/dbraw/zinc/02/79/10/360027910.db2.gz GFPGRYNKMHMULF-YMAMQOFZSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000089576832 360027916 /nfs/dbraw/zinc/02/79/16/360027916.db2.gz GFPGRYNKMHMULF-YMAMQOFZSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@@H](CCC[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000094948066 360328653 /nfs/dbraw/zinc/32/86/53/360328653.db2.gz GARCJJAUGKUKEV-NSHDSACASA-N 2 2 229.327 2.774 10 0 BFAELP [NH3+]CC1([N@H+](Cc2ccco2)C2CC2)CCCC1 ZINC000042692857 181360952 /nfs/dbraw/zinc/36/09/52/181360952.db2.gz ZXABFEIKFDUAIY-UHFFFAOYSA-N 2 2 234.343 2.516 10 0 BFAELP [NH3+]CC1([N@@H+](Cc2ccco2)C2CC2)CCCC1 ZINC000042692857 181360954 /nfs/dbraw/zinc/36/09/54/181360954.db2.gz ZXABFEIKFDUAIY-UHFFFAOYSA-N 2 2 234.343 2.516 10 0 BFAELP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C1 ZINC000336896247 364844191 /nfs/dbraw/zinc/84/41/91/364844191.db2.gz NUEAOWZQJAJBIH-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C1 ZINC000336896247 364844195 /nfs/dbraw/zinc/84/41/95/364844195.db2.gz NUEAOWZQJAJBIH-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP [NH3+][C@H]1CCCC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953490 181642805 /nfs/dbraw/zinc/64/28/05/181642805.db2.gz SRUCDVWDNVVPJM-UONOGXRCSA-N 2 2 236.403 2.913 10 0 BFAELP CC[C@@H]1CC[NH2+][C@H](C[NH2+]Cc2ccccc2)C1 ZINC000132779675 371921820 /nfs/dbraw/zinc/92/18/20/371921820.db2.gz PQASKDLFKXLQHY-HIFRSBDPSA-N 2 2 232.371 2.554 10 0 BFAELP CCC[NH+](CCC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000023069741 169150812 /nfs/dbraw/zinc/15/08/12/169150812.db2.gz FNQLWPSIKOVTMT-QWHCGFSZSA-N 2 2 212.381 2.768 10 0 BFAELP CCC[N@H+](CC)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913694 169131906 /nfs/dbraw/zinc/13/19/06/169131906.db2.gz IVGAPCGDRYVEQG-BXUZGUMPSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](CC)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913694 169131907 /nfs/dbraw/zinc/13/19/07/169131907.db2.gz IVGAPCGDRYVEQG-BXUZGUMPSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@H+](Cc1ccc(C)o1)[C@H]1CCC[NH2+]C1 ZINC000104339666 169174554 /nfs/dbraw/zinc/17/45/54/169174554.db2.gz GAQDOGOQGAUAAA-ZDUSSCGKSA-N 2 2 236.359 2.552 10 0 BFAELP CCC[N@@H+](Cc1ccc(C)o1)[C@H]1CCC[NH2+]C1 ZINC000104339666 169174557 /nfs/dbraw/zinc/17/45/57/169174557.db2.gz GAQDOGOQGAUAAA-ZDUSSCGKSA-N 2 2 236.359 2.552 10 0 BFAELP CCC[N@H+](Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000082500437 169179928 /nfs/dbraw/zinc/17/99/28/169179928.db2.gz GBJJFEWCBYEQRG-LBPRGKRZSA-N 2 2 238.400 2.712 10 0 BFAELP CCC[N@@H+](Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000082500437 169179929 /nfs/dbraw/zinc/17/99/29/169179929.db2.gz GBJJFEWCBYEQRG-LBPRGKRZSA-N 2 2 238.400 2.712 10 0 BFAELP CCC[NH+]1CCC(Nc2ccc([NH3+])cc2C)CC1 ZINC000049554949 169189651 /nfs/dbraw/zinc/18/96/51/169189651.db2.gz PGWKJTZNMRHTEU-UHFFFAOYSA-N 2 2 247.386 2.864 10 0 BFAELP CCC[NH2+]C[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000052345934 169261787 /nfs/dbraw/zinc/26/17/87/169261787.db2.gz QZZOJBBCSMNGEQ-CQSZACIVSA-N 2 2 234.387 2.815 10 0 BFAELP CCC[NH2+]C[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000052345934 169261788 /nfs/dbraw/zinc/26/17/88/169261788.db2.gz QZZOJBBCSMNGEQ-CQSZACIVSA-N 2 2 234.387 2.815 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000035586575 169279050 /nfs/dbraw/zinc/27/90/50/169279050.db2.gz OKBZLNVQNOODEZ-ZDUSSCGKSA-N 2 2 247.317 2.832 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000048265872 169282309 /nfs/dbraw/zinc/28/23/09/169282309.db2.gz WYTFTLRXMINNBY-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000048265872 169282310 /nfs/dbraw/zinc/28/23/10/169282310.db2.gz WYTFTLRXMINNBY-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[NH2+][C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000048266204 169291731 /nfs/dbraw/zinc/29/17/31/169291731.db2.gz GPOUXTIOONYDBK-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000048266204 169291732 /nfs/dbraw/zinc/29/17/32/169291732.db2.gz GPOUXTIOONYDBK-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C(C)(C)C ZINC000336725358 385843490 /nfs/dbraw/zinc/84/34/90/385843490.db2.gz GIBICNUDBYHXMW-GFCCVEGCSA-N 2 2 214.397 2.741 10 0 BFAELP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C(C)(C)C ZINC000336725358 385843493 /nfs/dbraw/zinc/84/34/93/385843493.db2.gz GIBICNUDBYHXMW-GFCCVEGCSA-N 2 2 214.397 2.741 10 0 BFAELP CC[C@@H]([NH2+]CC[NH+](CC)CC)C(C)(C)C ZINC000336733665 386536239 /nfs/dbraw/zinc/53/62/39/386536239.db2.gz MPEJZJXUBDTQRN-GFCCVEGCSA-N 2 2 214.397 2.743 10 0 BFAELP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397660199 386676768 /nfs/dbraw/zinc/67/67/68/386676768.db2.gz NPSBYMMQXRXLMR-AVGNSLFASA-N 2 2 235.375 2.686 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396521962 386770669 /nfs/dbraw/zinc/77/06/69/386770669.db2.gz CTWYJXWUGQQSDW-KCQAQPDRSA-N 2 2 232.371 2.786 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000396582282 386778482 /nfs/dbraw/zinc/77/84/82/386778482.db2.gz PSJSJXLXILVBGG-UMNHJUIQSA-N 2 2 224.373 2.539 10 0 BFAELP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502047 387577640 /nfs/dbraw/zinc/57/76/40/387577640.db2.gz JSRBQHJWHVMSIX-MRXNPFEDSA-N 2 2 246.398 2.823 10 0 BFAELP CCc1ccc(C[NH2+][C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502047 387577645 /nfs/dbraw/zinc/57/76/45/387577645.db2.gz JSRBQHJWHVMSIX-MRXNPFEDSA-N 2 2 246.398 2.823 10 0 BFAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000309918126 388468785 /nfs/dbraw/zinc/46/87/85/388468785.db2.gz QMYCZVIHIOWJFP-OCCSQVGLSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000309918126 388468788 /nfs/dbraw/zinc/46/87/88/388468788.db2.gz QMYCZVIHIOWJFP-OCCSQVGLSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000246191511 388622963 /nfs/dbraw/zinc/62/29/63/388622963.db2.gz HZJYUGWURXYZEC-QLFBSQMISA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000246191511 388622966 /nfs/dbraw/zinc/62/29/66/388622966.db2.gz HZJYUGWURXYZEC-QLFBSQMISA-N 2 2 236.403 2.661 10 0 BFAELP CCCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178302155 134306269 /nfs/dbraw/zinc/30/62/69/134306269.db2.gz MOYSQDQZQBPRCS-AWEZNQCLSA-N 2 2 235.375 2.846 10 0 BFAELP CCCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178302155 134306270 /nfs/dbraw/zinc/30/62/70/134306270.db2.gz MOYSQDQZQBPRCS-AWEZNQCLSA-N 2 2 235.375 2.846 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000250248397 135050681 /nfs/dbraw/zinc/05/06/81/135050681.db2.gz IHADABGKAGOPLB-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000250248397 135050683 /nfs/dbraw/zinc/05/06/83/135050683.db2.gz IHADABGKAGOPLB-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000262948732 135324632 /nfs/dbraw/zinc/32/46/32/135324632.db2.gz JIQMPMDHURTKHJ-OAHLLOKOSA-N 2 2 243.354 2.654 10 0 BFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000262948732 135324634 /nfs/dbraw/zinc/32/46/34/135324634.db2.gz JIQMPMDHURTKHJ-OAHLLOKOSA-N 2 2 243.354 2.654 10 0 BFAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC000089575547 135537469 /nfs/dbraw/zinc/53/74/69/135537469.db2.gz WNPCRKSFHTXFST-YMAMQOFZSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC000089575547 135537473 /nfs/dbraw/zinc/53/74/73/135537473.db2.gz WNPCRKSFHTXFST-YMAMQOFZSA-N 2 2 238.419 2.887 10 0 BFAELP CC(C)[NH2+][C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000070584457 167141220 /nfs/dbraw/zinc/14/12/20/167141220.db2.gz XFFZLSLPTZWDDU-ZDUSSCGKSA-N 2 2 224.392 2.782 10 0 BFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420437 167111355 /nfs/dbraw/zinc/11/13/55/167111355.db2.gz AFXRZECOFHVBBX-ZNMIVQPWSA-N 2 2 240.435 2.987 10 0 BFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420437 167111358 /nfs/dbraw/zinc/11/13/58/167111358.db2.gz AFXRZECOFHVBBX-ZNMIVQPWSA-N 2 2 240.435 2.987 10 0 BFAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000070584456 167133640 /nfs/dbraw/zinc/13/36/40/167133640.db2.gz XFFZLSLPTZWDDU-CYBMUJFWSA-N 2 2 224.392 2.782 10 0 BFAELP CC(C)[NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000070584456 167133644 /nfs/dbraw/zinc/13/36/44/167133644.db2.gz XFFZLSLPTZWDDU-CYBMUJFWSA-N 2 2 224.392 2.782 10 0 BFAELP CC(C)[NH2+][C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000070584457 167141218 /nfs/dbraw/zinc/14/12/18/167141218.db2.gz XFFZLSLPTZWDDU-ZDUSSCGKSA-N 2 2 224.392 2.782 10 0 BFAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@H+](C)C2CC2)cc1 ZINC000037742734 167299174 /nfs/dbraw/zinc/29/91/74/167299174.db2.gz CQNNLHLHNINKOB-OAHLLOKOSA-N 2 2 248.370 2.568 10 0 BFAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CC2)cc1 ZINC000037742734 167299175 /nfs/dbraw/zinc/29/91/75/167299175.db2.gz CQNNLHLHNINKOB-OAHLLOKOSA-N 2 2 248.370 2.568 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000049195851 167394899 /nfs/dbraw/zinc/39/48/99/167394899.db2.gz SVPXBXXRPBFCTH-HZPDHXFCSA-N 2 2 246.398 2.850 10 0 BFAELP CC1(C)[C@H]2CC[C@]1(C)[C@@](C[NH3+])([NH+]1CCCC1)C2 ZINC000026480709 168010603 /nfs/dbraw/zinc/01/06/03/168010603.db2.gz YTMCFVPYUWPAHJ-AEGPPILISA-N 2 2 236.403 2.626 10 0 BFAELP CC1CCC(C[NH2+]C2(C[NH+](C)C)CCC2)CC1 ZINC000337260227 168155438 /nfs/dbraw/zinc/15/54/38/168155438.db2.gz PLTWNUOPJIGOMV-UHFFFAOYSA-N 2 2 238.419 2.887 10 0 BFAELP CC1CCC([N@H+](C)C[C@@](C)([NH3+])C2CC2)CC1 ZINC000042488261 168159143 /nfs/dbraw/zinc/15/91/43/168159143.db2.gz BDZLVZVQCMZKJV-UXUKBGGZSA-N 2 2 224.392 2.624 10 0 BFAELP CC1CCC([N@@H+](C)C[C@@](C)([NH3+])C2CC2)CC1 ZINC000042488261 168159144 /nfs/dbraw/zinc/15/91/44/168159144.db2.gz BDZLVZVQCMZKJV-UXUKBGGZSA-N 2 2 224.392 2.624 10 0 BFAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[NH+]1CCC(C)CC1 ZINC000043114936 168187439 /nfs/dbraw/zinc/18/74/39/168187439.db2.gz GAQDNUPNFHTWPS-YPMHNXCESA-N 2 2 238.400 2.868 10 0 BFAELP CC[NH2+]C[C@@H](CC)[N@H+](C)Cc1ccccc1C ZINC000052547032 170119138 /nfs/dbraw/zinc/11/91/38/170119138.db2.gz RLHAPCZAOZDTNB-OAHLLOKOSA-N 2 2 234.387 2.815 10 0 BFAELP CC[NH2+]C[C@@H](CC)[N@@H+](C)Cc1ccccc1C ZINC000052547032 170119140 /nfs/dbraw/zinc/11/91/40/170119140.db2.gz RLHAPCZAOZDTNB-OAHLLOKOSA-N 2 2 234.387 2.815 10 0 BFAELP CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000052421325 170120046 /nfs/dbraw/zinc/12/00/46/170120046.db2.gz KUDJWURGVNIYJS-HNNXBMFYSA-N 2 2 232.371 2.823 10 0 BFAELP CC[NH2+][C@@H](C)c1ccccc1-n1cc[nH+]c1 ZINC000034663882 170142273 /nfs/dbraw/zinc/14/22/73/170142273.db2.gz ZJSUJSRVTSTAJQ-NSHDSACASA-N 2 2 215.300 2.543 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(C)c1C ZINC000035570387 170146515 /nfs/dbraw/zinc/14/65/15/170146515.db2.gz AYCXWDVMGOPDCH-AWEZNQCLSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000035570399 170146648 /nfs/dbraw/zinc/14/66/48/170146648.db2.gz IUQJCBKPEIYGII-LBPRGKRZSA-N 2 2 249.745 2.956 10 0 BFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1n1cc[nH+]c1 ZINC000043992915 170150400 /nfs/dbraw/zinc/15/04/00/170150400.db2.gz YLTPYSSKPLTECW-CHWSQXEVSA-N 2 2 221.348 2.757 10 0 BFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417781 170153761 /nfs/dbraw/zinc/15/37/61/170153761.db2.gz ZHXBIDKYMBPPKN-LXFSFDBISA-N 2 2 238.419 2.741 10 0 BFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417781 170153763 /nfs/dbraw/zinc/15/37/63/170153763.db2.gz ZHXBIDKYMBPPKN-LXFSFDBISA-N 2 2 238.419 2.741 10 0 BFAELP CC[NH2+][C@H](C[NH3+])c1csc2ccccc12 ZINC000054464603 170162123 /nfs/dbraw/zinc/16/21/23/170162123.db2.gz BJOHUSLURYIPEQ-LLVKDONJSA-N 2 2 220.341 2.511 10 0 BFAELP CC[NH2+][C@H](Cc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000053827966 170163210 /nfs/dbraw/zinc/16/32/10/170163210.db2.gz LWCSDNIKVZKONL-CQSZACIVSA-N 2 2 248.370 2.638 10 0 BFAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000336738044 171044627 /nfs/dbraw/zinc/04/46/27/171044627.db2.gz NZCZMSVJUWTIIX-MCIONIFRSA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000119697189 171282636 /nfs/dbraw/zinc/28/26/36/171282636.db2.gz XONCJMBQDYMSJB-UONOGXRCSA-N 2 2 247.386 2.862 10 0 BFAELP CC[C@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000119697189 171282638 /nfs/dbraw/zinc/28/26/38/171282638.db2.gz XONCJMBQDYMSJB-UONOGXRCSA-N 2 2 247.386 2.862 10 0 BFAELP CC[C@H](C)[N@H+](CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037112648 171312048 /nfs/dbraw/zinc/31/20/48/171312048.db2.gz RMRWFRASFJFPBB-FZMZJTMJSA-N 2 2 238.350 2.946 10 0 BFAELP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037112648 171312050 /nfs/dbraw/zinc/31/20/50/171312050.db2.gz RMRWFRASFJFPBB-FZMZJTMJSA-N 2 2 238.350 2.946 10 0 BFAELP C[NH2+]C(C)(C)C[N@H+](C)C1CCCCCC1 ZINC000061319614 173318912 /nfs/dbraw/zinc/31/89/12/173318912.db2.gz MAXZJXRHJWGBDJ-UHFFFAOYSA-N 2 2 212.381 2.639 10 0 BFAELP C[NH2+]C(C)(C)C[N@@H+](C)C1CCCCCC1 ZINC000061319614 173318913 /nfs/dbraw/zinc/31/89/13/173318913.db2.gz MAXZJXRHJWGBDJ-UHFFFAOYSA-N 2 2 212.381 2.639 10 0 BFAELP C[NH2+]C[C@H](C)Oc1cc(C)[nH+]c2ccccc21 ZINC000051867168 173376187 /nfs/dbraw/zinc/37/61/87/173376187.db2.gz OXONXOVEGRCKTM-NSHDSACASA-N 2 2 230.311 2.530 10 0 BFAELP C[NH2+]Cc1c[nH+]c(C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000062820957 173384986 /nfs/dbraw/zinc/38/49/86/173384986.db2.gz ILTORPOTLNXAJE-UHFFFAOYSA-N 2 2 245.370 2.597 10 0 BFAELP COc1ccc([NH2+]CC2CC[NH+](C)CC2)cc1C ZINC000054243597 175150950 /nfs/dbraw/zinc/15/09/50/175150950.db2.gz YSCXWHYBNUBGBW-UHFFFAOYSA-N 2 2 248.370 2.757 10 0 BFAELP C[C@@H](c1ccccc1F)[N@H+](C)C(C)(C)C[NH3+] ZINC000062013595 176025166 /nfs/dbraw/zinc/02/51/66/176025166.db2.gz MDFDYVLSPGGYLH-JTQLQIEISA-N 2 2 224.323 2.556 10 0 BFAELP C[C@@H](c1ccccc1F)[N@@H+](C)C(C)(C)C[NH3+] ZINC000062013595 176025168 /nfs/dbraw/zinc/02/51/68/176025168.db2.gz MDFDYVLSPGGYLH-JTQLQIEISA-N 2 2 224.323 2.556 10 0 BFAELP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCCCC2)[C@@H]1C ZINC000050563930 176096375 /nfs/dbraw/zinc/09/63/75/176096375.db2.gz PEOVHJHSDOGJSM-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[N@H+](C2(C[NH3+])CCCCC2)[C@@H]1C ZINC000050563930 176096376 /nfs/dbraw/zinc/09/63/76/176096376.db2.gz PEOVHJHSDOGJSM-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@H]([N@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492445 176121162 /nfs/dbraw/zinc/12/11/62/176121162.db2.gz DTXROVOXKHXSII-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@H]([N@@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492445 176121164 /nfs/dbraw/zinc/12/11/64/176121164.db2.gz DTXROVOXKHXSII-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CC[N@H+](CC[NH2+]C2CCCC2)[C@H](C)C1 ZINC000051746732 176169328 /nfs/dbraw/zinc/16/93/28/176169328.db2.gz BDDDZKLTWUKEGW-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCCC2)[C@H](C)C1 ZINC000051746732 176169331 /nfs/dbraw/zinc/16/93/31/176169331.db2.gz BDDDZKLTWUKEGW-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000019261501 177079177 /nfs/dbraw/zinc/07/91/77/177079177.db2.gz IUWUSXHQXPMMIM-QWRGUYRKSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccs1 ZINC000019261501 177079178 /nfs/dbraw/zinc/07/91/78/177079178.db2.gz IUWUSXHQXPMMIM-QWRGUYRKSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCCCCC1 ZINC000019807725 177085599 /nfs/dbraw/zinc/08/55/99/177085599.db2.gz CNWKKDXQLZKBSS-KBPBESRZSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053343725 177098543 /nfs/dbraw/zinc/09/85/43/177098543.db2.gz UKEQBIOHEJZNQF-SOUVJXGZSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053343725 177098544 /nfs/dbraw/zinc/09/85/44/177098544.db2.gz UKEQBIOHEJZNQF-SOUVJXGZSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@H]1CCC[C@H](C)[NH+]1CC1([NH3+])CCCCC1 ZINC000020074017 177131675 /nfs/dbraw/zinc/13/16/75/177131675.db2.gz FGBXBJMBHUKPKM-STQMWFEESA-N 2 2 224.392 2.911 10 0 BFAELP C[C@H]1CCC[C@H](C)[NH+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431248 177131976 /nfs/dbraw/zinc/13/19/76/177131976.db2.gz OZBULSVJEOZQCV-XDQVBPFNSA-N 2 2 224.392 2.909 10 0 BFAELP C[C@H]1CCC[C@H]([N@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492444 177134281 /nfs/dbraw/zinc/13/42/81/177134281.db2.gz DTXROVOXKHXSII-STQMWFEESA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@H]([N@@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492444 177134283 /nfs/dbraw/zinc/13/42/83/177134283.db2.gz DTXROVOXKHXSII-STQMWFEESA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@H](N(C)c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051397466 177135347 /nfs/dbraw/zinc/13/53/47/177135347.db2.gz UXAMEHKSNIUEII-AAEUAGOBSA-N 2 2 233.359 2.555 10 0 BFAELP C[C@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC000049660823 177157652 /nfs/dbraw/zinc/15/76/52/177157652.db2.gz NOAUUHZCWPLHAP-AXQFOSQISA-N 2 2 248.414 2.639 10 0 BFAELP C[C@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC000049660823 177157653 /nfs/dbraw/zinc/15/76/53/177157653.db2.gz NOAUUHZCWPLHAP-AXQFOSQISA-N 2 2 248.414 2.639 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022217578 177315750 /nfs/dbraw/zinc/31/57/50/177315750.db2.gz LMLUQUPBINJHET-LOWVWBTDSA-N 2 2 238.400 2.726 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000328393313 487674878 /nfs/dbraw/zinc/67/48/78/487674878.db2.gz YLZFQAPDCIMCPB-MELADBBJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000328393313 487674883 /nfs/dbraw/zinc/67/48/83/487674883.db2.gz YLZFQAPDCIMCPB-MELADBBJSA-N 2 2 224.392 2.639 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000675725801 487770862 /nfs/dbraw/zinc/77/08/62/487770862.db2.gz ITZIEVBXNHTVHJ-XEZPLFJOSA-N 2 2 246.398 2.850 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000675725801 487770865 /nfs/dbraw/zinc/77/08/65/487770865.db2.gz ITZIEVBXNHTVHJ-XEZPLFJOSA-N 2 2 246.398 2.850 10 0 BFAELP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)CC(C)(C)C1 ZINC000397866390 323099327 /nfs/dbraw/zinc/09/93/27/323099327.db2.gz HNKAWCPUADNCLA-OLZOCXBDSA-N 2 2 238.419 2.885 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166527 324387097 /nfs/dbraw/zinc/38/70/97/324387097.db2.gz BGPMDSFISUKNAC-IHRRRGAJSA-N 2 2 228.424 2.987 10 0 BFAELP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000488423066 533728432 /nfs/dbraw/zinc/72/84/32/533728432.db2.gz ZWXLSJLMNPVCOL-BPLDGKMQSA-N 2 2 232.371 2.535 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227197118 535305797 /nfs/dbraw/zinc/30/57/97/535305797.db2.gz WCUFQCOCAVOLFU-HZSPNIEDSA-N 2 2 226.408 2.741 10 0 BFAELP CCC1(C)CC[NH+]([C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396598589 583085468 /nfs/dbraw/zinc/08/54/68/583085468.db2.gz GHUMNWBFHYXLNO-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)CC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757125061 582500105 /nfs/dbraw/zinc/50/01/05/582500105.db2.gz CYNYGUCPJIHUJF-OAHLLOKOSA-N 2 2 236.403 2.593 10 0 BFAELP CC(C)CC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757125061 582500106 /nfs/dbraw/zinc/50/01/06/582500106.db2.gz CYNYGUCPJIHUJF-OAHLLOKOSA-N 2 2 236.403 2.593 10 0 BFAELP C[C@@H]1C[C@@H](c2cscc2C(F)F)[NH2+]C[C@H]1[NH3+] ZINC000757210107 586438412 /nfs/dbraw/zinc/43/84/12/586438412.db2.gz AIZBIXKDIBORII-DRTBCBBWSA-N 2 2 246.326 2.684 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1(Cl)CC1 ZINC000702265201 712040928 /nfs/dbraw/zinc/04/09/28/712040928.db2.gz YGTYYGLHUWMYEB-VXGBXAGGSA-N 2 2 246.826 2.712 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@H](CC(C)C)C[NH+](C)C ZINC000049555006 178107427 /nfs/dbraw/zinc/10/74/27/178107427.db2.gz BPRUWJSJENABDB-CQSZACIVSA-N 2 2 249.402 2.965 10 0 BFAELP Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])nc(C(C)C)[nH+]1 ZINC000038050787 178188975 /nfs/dbraw/zinc/18/89/75/178188975.db2.gz DUGWPULWNXNZEZ-RYUDHWBXSA-N 2 2 248.374 2.590 10 0 BFAELP Cc1cc(OC2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000051865461 178208486 /nfs/dbraw/zinc/20/84/86/178208486.db2.gz GJYVKLDEVJNGAJ-UHFFFAOYSA-N 2 2 242.322 2.674 10 0 BFAELP CCC(CC)[N@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000036788663 168369781 /nfs/dbraw/zinc/36/97/81/168369781.db2.gz ICWONYYCJNDBRC-AWEZNQCLSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000036788663 168369782 /nfs/dbraw/zinc/36/97/82/168369782.db2.gz ICWONYYCJNDBRC-AWEZNQCLSA-N 2 2 238.350 2.946 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000379433447 538977160 /nfs/dbraw/zinc/97/71/60/538977160.db2.gz GCTJFNYFHMPFBZ-HZSPNIEDSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000379433447 538977161 /nfs/dbraw/zinc/97/71/61/538977161.db2.gz GCTJFNYFHMPFBZ-HZSPNIEDSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2)cc1 ZINC000230805705 398295217 /nfs/dbraw/zinc/29/52/17/398295217.db2.gz SJQHIQMORXYVAA-MRXNPFEDSA-N 2 2 240.350 2.785 10 0 BFAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1C[C@H]1C ZINC000322227054 259352564 /nfs/dbraw/zinc/35/25/64/259352564.db2.gz YSYYAXJMZCNRBT-BFJAYTPKSA-N 2 2 246.398 2.923 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019947406 187253460 /nfs/dbraw/zinc/25/34/60/187253460.db2.gz YTJKXKIFVMIDCA-BBRMVZONSA-N 2 2 244.382 2.740 10 0 BFAELP Cc1ccc(Cn2ccc3c2CCC[C@@H]3[NH3+])c[nH+]1 ZINC000062079541 178665293 /nfs/dbraw/zinc/66/52/93/178665293.db2.gz GGCDTXLTOGVSKW-AWEZNQCLSA-N 2 2 241.338 2.576 10 0 BFAELP CC[C@H]1CC[NH2+][C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000132780097 345027096 /nfs/dbraw/zinc/02/70/96/345027096.db2.gz PQASKDLFKXLQHY-DZGCQCFKSA-N 2 2 232.371 2.554 10 0 BFAELP CC(C)(C)Cc1ccc(-n2cc[nH+]c2)c(C[NH3+])c1 ZINC000165987459 346662328 /nfs/dbraw/zinc/66/23/28/346662328.db2.gz QUDDFLKRXZGFFP-UHFFFAOYSA-N 2 2 243.354 2.920 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[NH+]2CCCCCC2)c1 ZINC000022223678 179198784 /nfs/dbraw/zinc/19/87/84/179198784.db2.gz FTWNCEYMLGVBMX-HNNXBMFYSA-N 2 2 232.371 2.871 10 0 BFAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C(C)C)c1 ZINC000042965478 179203545 /nfs/dbraw/zinc/20/35/45/179203545.db2.gz JONUYWJGGCOWDM-JSGCOSHPSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)C(C)C)c1 ZINC000042965478 179203547 /nfs/dbraw/zinc/20/35/47/179203547.db2.gz JONUYWJGGCOWDM-JSGCOSHPSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1C[NH2+][C@H](C[NH+](C)C)C(C)C ZINC000049195152 179283791 /nfs/dbraw/zinc/28/37/91/179283791.db2.gz MJEGKZZQRQLEQD-OAHLLOKOSA-N 2 2 234.387 2.671 10 0 BFAELP CC(C)[NH+](C[C@H]1C[C@H](C)C[C@@H](C)[NH2+]1)C(C)C ZINC000669381684 537995198 /nfs/dbraw/zinc/99/51/98/537995198.db2.gz RNRUPUOKRBBZSZ-MGPQQGTHSA-N 2 2 226.408 2.882 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+]CC[N@H+](C)C1CC1 ZINC000061992690 179336768 /nfs/dbraw/zinc/33/67/68/179336768.db2.gz VUZBRRBDJRSCQG-ZDUSSCGKSA-N 2 2 232.371 2.740 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+]CC[N@@H+](C)C1CC1 ZINC000061992690 179336771 /nfs/dbraw/zinc/33/67/71/179336771.db2.gz VUZBRRBDJRSCQG-ZDUSSCGKSA-N 2 2 232.371 2.740 10 0 BFAELP CCC[NH+](CCC)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000669381879 537997686 /nfs/dbraw/zinc/99/76/86/537997686.db2.gz YSYDRHLBXRQJJF-RDBSUJKOSA-N 2 2 226.408 2.885 10 0 BFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)c(Cl)c1 ZINC000250609418 538020096 /nfs/dbraw/zinc/02/00/96/538020096.db2.gz MFECWEYODQRINB-SKDRFNHKSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)c(Cl)c1 ZINC000250609418 538020102 /nfs/dbraw/zinc/02/01/02/538020102.db2.gz MFECWEYODQRINB-SKDRFNHKSA-N 2 2 242.725 2.573 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000019393644 180265291 /nfs/dbraw/zinc/26/52/91/180265291.db2.gz DRCXYCOAZYTIHD-GFCCVEGCSA-N 2 2 241.294 2.638 10 0 BFAELP Cc1[nH+]cn(-c2ccc(C[NH3+])cc2Cl)c1C ZINC000062793222 180285556 /nfs/dbraw/zinc/28/55/56/180285556.db2.gz MUSNTFGNBKKFTJ-UHFFFAOYSA-N 2 2 235.718 2.601 10 0 BFAELP Cc1[nH+]cn(-c2ccc([C@H](C)[NH3+])cc2)c1C ZINC000051927181 180285961 /nfs/dbraw/zinc/28/59/61/180285961.db2.gz FOCDVVXURQLPMX-VIFPVBQESA-N 2 2 215.300 2.509 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616600490 350780819 /nfs/dbraw/zinc/78/08/19/350780819.db2.gz BEPGVZUSFCNTSE-NSHDSACASA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616600490 350780823 /nfs/dbraw/zinc/78/08/23/350780823.db2.gz BEPGVZUSFCNTSE-NSHDSACASA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)[N@@H+]1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616601051 350781296 /nfs/dbraw/zinc/78/12/96/350781296.db2.gz KAZMPPWZJWXPGS-GFCCVEGCSA-N 2 2 233.359 2.642 10 0 BFAELP CC(C)[N@H+]1CCC[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616601051 350781300 /nfs/dbraw/zinc/78/13/00/350781300.db2.gz KAZMPPWZJWXPGS-GFCCVEGCSA-N 2 2 233.359 2.642 10 0 BFAELP CC[C@H](C[NH2+]C)[N@H+](CC)Cc1ccccc1 ZINC000052443710 351001313 /nfs/dbraw/zinc/00/13/13/351001313.db2.gz HXMIRGXYMPXNTC-CQSZACIVSA-N 2 2 220.360 2.507 10 0 BFAELP CC[C@H](C[NH2+]C)[N@@H+](CC)Cc1ccccc1 ZINC000052443710 351001317 /nfs/dbraw/zinc/00/13/17/351001317.db2.gz HXMIRGXYMPXNTC-CQSZACIVSA-N 2 2 220.360 2.507 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394865097 351859060 /nfs/dbraw/zinc/85/90/60/351859060.db2.gz ONQSKTUWJVAGJQ-ZIAGYGMSSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394865097 351859066 /nfs/dbraw/zinc/85/90/66/351859066.db2.gz ONQSKTUWJVAGJQ-ZIAGYGMSSA-N 2 2 236.403 2.783 10 0 BFAELP CCCC[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000307343424 352089929 /nfs/dbraw/zinc/08/99/29/352089929.db2.gz XGZXHZVZTIZADB-AWEZNQCLSA-N 2 2 234.387 2.897 10 0 BFAELP CCCC[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000307343424 352089932 /nfs/dbraw/zinc/08/99/32/352089932.db2.gz XGZXHZVZTIZADB-AWEZNQCLSA-N 2 2 234.387 2.897 10 0 BFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022171604 188008930 /nfs/dbraw/zinc/00/89/30/188008930.db2.gz QOVUXKPUOBPTIU-LBPRGKRZSA-N 2 2 226.751 2.680 10 0 BFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022171604 188008931 /nfs/dbraw/zinc/00/89/31/188008931.db2.gz QOVUXKPUOBPTIU-LBPRGKRZSA-N 2 2 226.751 2.680 10 0 BFAELP CC(C)[C@@H]1C[N@@H+](C2CCCCC2)CCC[NH2+]1 ZINC000062611806 188303104 /nfs/dbraw/zinc/30/31/04/188303104.db2.gz WXHDETAKAKXQEV-AWEZNQCLSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)[C@@H]1C[N@H+](C2CCCCC2)CCC[NH2+]1 ZINC000062611806 188303106 /nfs/dbraw/zinc/30/31/06/188303106.db2.gz WXHDETAKAKXQEV-AWEZNQCLSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)[C@@H]1C[N@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062622400 188303338 /nfs/dbraw/zinc/30/33/38/188303338.db2.gz VWTLOOHKFLXQNE-INIZCTEOSA-N 2 2 246.398 2.549 10 0 BFAELP CC(C)[C@@H]1C[N@@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062622400 188303340 /nfs/dbraw/zinc/30/33/40/188303340.db2.gz VWTLOOHKFLXQNE-INIZCTEOSA-N 2 2 246.398 2.549 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000389152541 355736714 /nfs/dbraw/zinc/73/67/14/355736714.db2.gz JWLUFCDHYOPTQA-GJZGRUSLSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000389152541 355736715 /nfs/dbraw/zinc/73/67/15/355736715.db2.gz JWLUFCDHYOPTQA-GJZGRUSLSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389268654 355943586 /nfs/dbraw/zinc/94/35/86/355943586.db2.gz QLQSWMPSOJTNMT-ZNMIVQPWSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389268654 355943588 /nfs/dbraw/zinc/94/35/88/355943588.db2.gz QLQSWMPSOJTNMT-ZNMIVQPWSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675056236 538477681 /nfs/dbraw/zinc/47/76/81/538477681.db2.gz MQWKLZHYHOCDCT-VTXSZYRJSA-N 2 2 222.376 2.534 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC12CCC(CC1)[NH2+]2 ZINC000675056236 538477684 /nfs/dbraw/zinc/47/76/84/538477684.db2.gz MQWKLZHYHOCDCT-VTXSZYRJSA-N 2 2 222.376 2.534 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000389486457 356691039 /nfs/dbraw/zinc/69/10/39/356691039.db2.gz YOOCLAHTOGIUCU-OLZOCXBDSA-N 2 2 238.400 2.883 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000389486457 356691041 /nfs/dbraw/zinc/69/10/41/356691041.db2.gz YOOCLAHTOGIUCU-OLZOCXBDSA-N 2 2 238.400 2.883 10 0 BFAELP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389557483 356990927 /nfs/dbraw/zinc/99/09/27/356990927.db2.gz SFEJYOLZANXSHJ-OLZOCXBDSA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389557483 356990931 /nfs/dbraw/zinc/99/09/31/356990931.db2.gz SFEJYOLZANXSHJ-OLZOCXBDSA-N 2 2 212.381 2.639 10 0 BFAELP CC1CCC(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000063145132 357534257 /nfs/dbraw/zinc/53/42/57/357534257.db2.gz ZHSMUJOPEOGEJZ-UHFFFAOYSA-N 2 2 235.375 2.689 10 0 BFAELP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248669600 535371122 /nfs/dbraw/zinc/37/11/22/535371122.db2.gz PWGMGDSVTKNBPS-CVEARBPZSA-N 2 2 244.382 2.988 10 0 BFAELP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248669600 535371123 /nfs/dbraw/zinc/37/11/23/535371123.db2.gz PWGMGDSVTKNBPS-CVEARBPZSA-N 2 2 244.382 2.988 10 0 BFAELP CC(C)CC[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171641166 134257434 /nfs/dbraw/zinc/25/74/34/134257434.db2.gz NLGRTKGRAWRGOG-OAHLLOKOSA-N 2 2 238.419 2.983 10 0 BFAELP CC(C)CC[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171641166 134257435 /nfs/dbraw/zinc/25/74/35/134257435.db2.gz NLGRTKGRAWRGOG-OAHLLOKOSA-N 2 2 238.419 2.983 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000049591436 358695781 /nfs/dbraw/zinc/69/57/81/358695781.db2.gz LGNIWXZHFKGCJZ-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000049591436 358695783 /nfs/dbraw/zinc/69/57/83/358695783.db2.gz LGNIWXZHFKGCJZ-MRXNPFEDSA-N 2 2 246.398 2.877 10 0 BFAELP [NH3+]CC[N@H+](CCCC1CC1)Cc1ccccc1 ZINC000306598130 360518613 /nfs/dbraw/zinc/51/86/13/360518613.db2.gz PANUYBDDDWGTOF-UHFFFAOYSA-N 2 2 232.371 2.638 10 0 BFAELP [NH3+]CC[N@@H+](CCCC1CC1)Cc1ccccc1 ZINC000306598130 360518617 /nfs/dbraw/zinc/51/86/17/360518617.db2.gz PANUYBDDDWGTOF-UHFFFAOYSA-N 2 2 232.371 2.638 10 0 BFAELP [NH3+]CCC[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000311110308 181385828 /nfs/dbraw/zinc/38/58/28/181385828.db2.gz FDUWYHMNODXWSN-AWEZNQCLSA-N 2 2 241.338 2.974 10 0 BFAELP [NH3+]CC[NH2+]Cc1sc2ccccc2c1Cl ZINC000038009215 181396137 /nfs/dbraw/zinc/39/61/37/181396137.db2.gz ZQSRKGDRJJVDAZ-UHFFFAOYSA-N 2 2 240.759 2.603 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000386276101 367943380 /nfs/dbraw/zinc/94/33/80/367943380.db2.gz PWXBXJQDUJZYQS-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000386276101 367943385 /nfs/dbraw/zinc/94/33/85/367943385.db2.gz PWXBXJQDUJZYQS-STQMWFEESA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@H](C[NH2+]C)[N@H+](CC)Cc1ccccc1 ZINC000216712802 371793517 /nfs/dbraw/zinc/79/35/17/371793517.db2.gz GHXUKRHFPCMGIV-OAHLLOKOSA-N 2 2 234.387 2.897 10 0 BFAELP CCC[C@H](C[NH2+]C)[N@@H+](CC)Cc1ccccc1 ZINC000216712802 371793522 /nfs/dbraw/zinc/79/35/22/371793522.db2.gz GHXUKRHFPCMGIV-OAHLLOKOSA-N 2 2 234.387 2.897 10 0 BFAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226027 169085933 /nfs/dbraw/zinc/08/59/33/169085933.db2.gz ZMUSIVGUKBUGIE-GFCCVEGCSA-N 2 2 226.751 2.682 10 0 BFAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226027 169085936 /nfs/dbraw/zinc/08/59/36/169085936.db2.gz ZMUSIVGUKBUGIE-GFCCVEGCSA-N 2 2 226.751 2.682 10 0 BFAELP CCC[N@H+](C)[C@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037098131 169089078 /nfs/dbraw/zinc/08/90/78/169089078.db2.gz DRFIWWPDTQMNEA-TZMCWYRMSA-N 2 2 226.408 2.872 10 0 BFAELP CCC[N@@H+](C)[C@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037098131 169089080 /nfs/dbraw/zinc/08/90/80/169089080.db2.gz DRFIWWPDTQMNEA-TZMCWYRMSA-N 2 2 226.408 2.872 10 0 BFAELP CCC[N@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032015300 169158614 /nfs/dbraw/zinc/15/86/14/169158614.db2.gz WPZCGJYZEYUKRX-UHFFFAOYSA-N 2 2 226.751 2.511 10 0 BFAELP CCC[N@@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032015300 169158615 /nfs/dbraw/zinc/15/86/15/169158615.db2.gz WPZCGJYZEYUKRX-UHFFFAOYSA-N 2 2 226.751 2.511 10 0 BFAELP CCC[N@H+](CC[NH2+]C)Cc1cc(C)cc(C)c1 ZINC000042404310 169160182 /nfs/dbraw/zinc/16/01/82/169160182.db2.gz FAPNCKJHKNRVOM-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CCC[N@@H+](CC[NH2+]C)Cc1cc(C)cc(C)c1 ZINC000042404310 169160183 /nfs/dbraw/zinc/16/01/83/169160183.db2.gz FAPNCKJHKNRVOM-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CCC[N@H+]([C@@H](C)c1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000104333117 169181965 /nfs/dbraw/zinc/18/19/65/169181965.db2.gz AMRRADUHVCNBQI-DZGCQCFKSA-N 2 2 247.386 2.607 10 0 BFAELP CCC[N@@H+]([C@@H](C)c1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000104333117 169181967 /nfs/dbraw/zinc/18/19/67/169181967.db2.gz AMRRADUHVCNBQI-DZGCQCFKSA-N 2 2 247.386 2.607 10 0 BFAELP CCC[NH2+]CCCc1[nH+]cc(C)c(OC)c1C ZINC000052949179 169258260 /nfs/dbraw/zinc/25/82/60/169258260.db2.gz NNMJJYVUHQIEKN-UHFFFAOYSA-N 2 2 236.359 2.639 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000035586576 169289991 /nfs/dbraw/zinc/28/99/91/169289991.db2.gz OKBZLNVQNOODEZ-CYBMUJFWSA-N 2 2 247.317 2.832 10 0 BFAELP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000048265873 169292081 /nfs/dbraw/zinc/29/20/81/169292081.db2.gz WYTFTLRXMINNBY-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC000048265873 169292082 /nfs/dbraw/zinc/29/20/82/169292082.db2.gz WYTFTLRXMINNBY-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000310041229 169526590 /nfs/dbraw/zinc/52/65/90/169526590.db2.gz YKHPXIQXDRRDMC-KBPBESRZSA-N 2 2 224.392 2.641 10 0 BFAELP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000041063710 384603335 /nfs/dbraw/zinc/60/33/35/384603335.db2.gz JNAIYRGLTBUCJM-QLFBSQMISA-N 2 2 249.402 2.934 10 0 BFAELP CCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764347 384851410 /nfs/dbraw/zinc/85/14/10/384851410.db2.gz MZPWPSYJPVGCGT-LLVKDONJSA-N 2 2 229.327 2.823 10 0 BFAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000336742397 385947496 /nfs/dbraw/zinc/94/74/96/385947496.db2.gz RYPRWWBRHNIRMO-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000336742397 385947503 /nfs/dbraw/zinc/94/75/03/385947503.db2.gz RYPRWWBRHNIRMO-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCCC2)C1 ZINC000414332154 386127834 /nfs/dbraw/zinc/12/78/34/386127834.db2.gz DULGYTWSBBCZBV-JSGCOSHPSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCCC2)C1 ZINC000414332154 386127842 /nfs/dbraw/zinc/12/78/42/386127842.db2.gz DULGYTWSBBCZBV-JSGCOSHPSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000414346467 386134486 /nfs/dbraw/zinc/13/44/86/386134486.db2.gz PZOQJIDPAGHEQN-RRFJBIMHSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000414346467 386134492 /nfs/dbraw/zinc/13/44/92/386134492.db2.gz PZOQJIDPAGHEQN-RRFJBIMHSA-N 2 2 236.403 2.639 10 0 BFAELP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245886938 386608686 /nfs/dbraw/zinc/60/86/86/386608686.db2.gz XONCJMBQDYMSJB-KGLIPLIRSA-N 2 2 247.386 2.862 10 0 BFAELP CC[C@@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245886938 386608691 /nfs/dbraw/zinc/60/86/91/386608691.db2.gz XONCJMBQDYMSJB-KGLIPLIRSA-N 2 2 247.386 2.862 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000396582280 386777985 /nfs/dbraw/zinc/77/79/85/386777985.db2.gz PSJSJXLXILVBGG-JBLDHEPKSA-N 2 2 224.373 2.539 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000085099156 388083885 /nfs/dbraw/zinc/08/38/85/388083885.db2.gz IHADABGKAGOPLB-ZQDZILKHSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000085099156 388083888 /nfs/dbraw/zinc/08/38/88/388083888.db2.gz IHADABGKAGOPLB-ZQDZILKHSA-N 2 2 238.419 2.885 10 0 BFAELP CCC[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192753460 388683683 /nfs/dbraw/zinc/68/36/83/388683683.db2.gz RCJZOTDQCZWDOP-GXTWGEPZSA-N 2 2 235.375 2.845 10 0 BFAELP CCC[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192753460 388683685 /nfs/dbraw/zinc/68/36/85/388683685.db2.gz RCJZOTDQCZWDOP-GXTWGEPZSA-N 2 2 235.375 2.845 10 0 BFAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CCC2CC2)[C@@H](C)C1 ZINC000248989542 388703736 /nfs/dbraw/zinc/70/37/36/388703736.db2.gz KULPIHFBIXWFEE-GUTXKFCHSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CCC2CC2)[C@@H](C)C1 ZINC000248989542 388703738 /nfs/dbraw/zinc/70/37/38/388703738.db2.gz KULPIHFBIXWFEE-GUTXKFCHSA-N 2 2 238.419 2.883 10 0 BFAELP Cc1ccc2c(c1)CCC[N@H+]2CCCCC[NH3+] ZINC000049580632 132356260 /nfs/dbraw/zinc/35/62/60/132356260.db2.gz UGRFJPUVLSTDSX-UHFFFAOYSA-N 2 2 232.371 2.877 10 0 BFAELP Cc1ccc2c(c1)CCC[N@@H+]2CCCCC[NH3+] ZINC000049580632 132356261 /nfs/dbraw/zinc/35/62/61/132356261.db2.gz UGRFJPUVLSTDSX-UHFFFAOYSA-N 2 2 232.371 2.877 10 0 BFAELP Cc1cc(C)c(C[NH3+])c(N2CCC(C)(C)CC2)[nH+]1 ZINC000061817969 132387259 /nfs/dbraw/zinc/38/72/59/132387259.db2.gz OQSUOIJRGWGRSB-UHFFFAOYSA-N 2 2 247.386 2.784 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(C)C ZINC000178304391 134306093 /nfs/dbraw/zinc/30/60/93/134306093.db2.gz XJRUQWWOEVJFPZ-CQSZACIVSA-N 2 2 235.375 2.702 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(C)C ZINC000178304391 134306094 /nfs/dbraw/zinc/30/60/94/134306094.db2.gz XJRUQWWOEVJFPZ-CQSZACIVSA-N 2 2 235.375 2.702 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000250318922 135051391 /nfs/dbraw/zinc/05/13/91/135051391.db2.gz MVDWHSGYAKSWAR-KGLIPLIRSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000250318922 135051393 /nfs/dbraw/zinc/05/13/93/135051393.db2.gz MVDWHSGYAKSWAR-KGLIPLIRSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C1 ZINC000251715650 135075391 /nfs/dbraw/zinc/07/53/91/135075391.db2.gz RORHHYHIVWAPFO-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C1 ZINC000251715650 135075393 /nfs/dbraw/zinc/07/53/93/135075393.db2.gz RORHHYHIVWAPFO-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000164483710 135362765 /nfs/dbraw/zinc/36/27/65/135362765.db2.gz STVXYNJYIYATRW-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000164483710 135362767 /nfs/dbraw/zinc/36/27/67/135362767.db2.gz STVXYNJYIYATRW-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H](C)[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000252428801 322872221 /nfs/dbraw/zinc/87/22/21/322872221.db2.gz BGPMDSFISUKNAC-BFHYXJOUSA-N 2 2 228.424 2.987 10 0 BFAELP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000308699491 409903051 /nfs/dbraw/zinc/90/30/51/409903051.db2.gz IJVXQQMKGGCFKJ-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000308699491 409903053 /nfs/dbraw/zinc/90/30/53/409903053.db2.gz IJVXQQMKGGCFKJ-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)[NH2+]CC[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000052374602 167109148 /nfs/dbraw/zinc/10/91/48/167109148.db2.gz IKWNGZNRFQJHEO-ZDUSSCGKSA-N 2 2 232.371 2.779 10 0 BFAELP CC(C)Oc1ccc([C@@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000023068431 167299187 /nfs/dbraw/zinc/29/91/87/167299187.db2.gz YXDMFSHDHPSNGR-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP CC1CCC(C[NH3+])([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000019807791 168154323 /nfs/dbraw/zinc/15/43/23/168154323.db2.gz IDSSCOQCKWITCG-HFDVOGEKSA-N 2 2 238.419 2.872 10 0 BFAELP CC1CCC(C[NH3+])([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000019807791 168154325 /nfs/dbraw/zinc/15/43/25/168154325.db2.gz IDSSCOQCKWITCG-HFDVOGEKSA-N 2 2 238.419 2.872 10 0 BFAELP CC1CC[NH+](C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071354 168183414 /nfs/dbraw/zinc/18/34/14/168183414.db2.gz UBJKPKJUQQZTGU-ZNMIVQPWSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000336891037 170014357 /nfs/dbraw/zinc/01/43/57/170014357.db2.gz IHKFYNCZIDTPAF-WCQYABFASA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000336891037 170014358 /nfs/dbraw/zinc/01/43/58/170014358.db2.gz IHKFYNCZIDTPAF-WCQYABFASA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCC(C)C)[C@@H](C)C1 ZINC000336776272 170036715 /nfs/dbraw/zinc/03/67/15/170036715.db2.gz FIKXQVLZYWDVPP-IHRRRGAJSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCC(C)C)[C@@H](C)C1 ZINC000336776272 170036716 /nfs/dbraw/zinc/03/67/16/170036716.db2.gz FIKXQVLZYWDVPP-IHRRRGAJSA-N 2 2 226.408 2.741 10 0 BFAELP CC[NH2+]C(C)(C)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000061299635 170107393 /nfs/dbraw/zinc/10/73/93/170107393.db2.gz XTXZZHBSALBETD-VXGBXAGGSA-N 2 2 212.381 2.637 10 0 BFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)(C)C ZINC000054601570 170109794 /nfs/dbraw/zinc/10/97/94/170109794.db2.gz LJNXDHHNRVCNHQ-YHWZYXNKSA-N 2 2 224.392 2.780 10 0 BFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)(C)C ZINC000054601570 170109795 /nfs/dbraw/zinc/10/97/95/170109795.db2.gz LJNXDHHNRVCNHQ-YHWZYXNKSA-N 2 2 224.392 2.780 10 0 BFAELP CC[NH2+]CCCc1ccc2c(c1)[nH+]cn2C1CC1 ZINC000107291980 170113936 /nfs/dbraw/zinc/11/39/36/170113936.db2.gz UWDYYYDSZXWCCO-UHFFFAOYSA-N 2 2 243.354 2.913 10 0 BFAELP CC[NH2+]Cc1c[nH+]c(Cc2cccc(Cl)c2)[nH]1 ZINC000062821051 170124375 /nfs/dbraw/zinc/12/43/75/170124375.db2.gz UXAYULCLSICODN-UHFFFAOYSA-N 2 2 249.745 2.763 10 0 BFAELP CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000034663900 170141140 /nfs/dbraw/zinc/14/11/40/170141140.db2.gz GABSKGPFNZGKHY-JTQLQIEISA-N 2 2 233.290 2.682 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)CC1CCCCC1 ZINC000035570135 170146056 /nfs/dbraw/zinc/14/60/56/170146056.db2.gz LFMPWBLSYCVNHF-CYBMUJFWSA-N 2 2 235.375 2.901 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(C)c1 ZINC000035570379 170146108 /nfs/dbraw/zinc/14/61/08/170146108.db2.gz XZABBNGESGOCRY-ZDUSSCGKSA-N 2 2 229.327 2.611 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1C ZINC000035570444 170146354 /nfs/dbraw/zinc/14/63/54/170146354.db2.gz ULYHXWJWZXXXHR-ZDUSSCGKSA-N 2 2 229.327 2.611 10 0 BFAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cccc(C)c1 ZINC000037913456 170983010 /nfs/dbraw/zinc/98/30/10/170983010.db2.gz DKKJBZGCLFAFDZ-CABCVRRESA-N 2 2 232.371 2.869 10 0 BFAELP CC[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccc(C)c1 ZINC000037913456 170983012 /nfs/dbraw/zinc/98/30/12/170983012.db2.gz DKKJBZGCLFAFDZ-CABCVRRESA-N 2 2 232.371 2.869 10 0 BFAELP CC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000122870998 171281900 /nfs/dbraw/zinc/28/19/00/171281900.db2.gz FLUSASPNXWXDFB-GXTWGEPZSA-N 2 2 235.375 2.702 10 0 BFAELP CC[C@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000122870998 171281901 /nfs/dbraw/zinc/28/19/01/171281901.db2.gz FLUSASPNXWXDFB-GXTWGEPZSA-N 2 2 235.375 2.702 10 0 BFAELP CC[C@H](C)[N@H+](C)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043139 171309238 /nfs/dbraw/zinc/30/92/38/171309238.db2.gz MHQJXUNGDZTPJG-MISXGVKJSA-N 2 2 238.350 2.944 10 0 BFAELP CC[C@H](C)[N@@H+](C)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043139 171309241 /nfs/dbraw/zinc/30/92/41/171309241.db2.gz MHQJXUNGDZTPJG-MISXGVKJSA-N 2 2 238.350 2.944 10 0 BFAELP C[NH2+]CCCc1[nH+]c2ccc(F)cc2n1C1CC1 ZINC000052125132 173351113 /nfs/dbraw/zinc/35/11/13/173351113.db2.gz MGOFUOAZUHJISV-UHFFFAOYSA-N 2 2 247.317 2.662 10 0 BFAELP C[NH2+]CC[N@H+](C)Cc1cc(C(C)C)ccc1C ZINC000077370027 173352948 /nfs/dbraw/zinc/35/29/48/173352948.db2.gz RTVGTBKVBJFXTQ-UHFFFAOYSA-N 2 2 234.387 2.770 10 0 BFAELP C[NH2+]CC[N@@H+](C)Cc1cc(C(C)C)ccc1C ZINC000077370027 173352949 /nfs/dbraw/zinc/35/29/49/173352949.db2.gz RTVGTBKVBJFXTQ-UHFFFAOYSA-N 2 2 234.387 2.770 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)CC1CCC1 ZINC000061485362 173384370 /nfs/dbraw/zinc/38/43/70/173384370.db2.gz KLOWPMHJYMCWAG-UHFFFAOYSA-N 2 2 247.386 2.654 10 0 BFAELP COc1ccc2[nH]c(CC[NH2+]C(C)(C)C)[nH+]c2c1 ZINC000074325331 175229452 /nfs/dbraw/zinc/22/94/52/175229452.db2.gz GMAWMRVMPLAYMB-UHFFFAOYSA-N 2 2 247.342 2.502 10 0 BFAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000043027288 175289516 /nfs/dbraw/zinc/28/95/16/175289516.db2.gz SBRNSBGNRLXONI-YWPYICTPSA-N 2 2 248.370 2.568 10 0 BFAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000043027288 175289518 /nfs/dbraw/zinc/28/95/18/175289518.db2.gz SBRNSBGNRLXONI-YWPYICTPSA-N 2 2 248.370 2.568 10 0 BFAELP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662408 176015633 /nfs/dbraw/zinc/01/56/33/176015633.db2.gz XGYTTWIBMXUUCX-NEPJUHHUSA-N 2 2 236.334 2.571 10 0 BFAELP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662408 176015634 /nfs/dbraw/zinc/01/56/34/176015634.db2.gz XGYTTWIBMXUUCX-NEPJUHHUSA-N 2 2 236.334 2.571 10 0 BFAELP C[C@@H](c1cccs1)[N@H+](C)C[C@@H]1CCCC[NH2+]1 ZINC000049717060 176032604 /nfs/dbraw/zinc/03/26/04/176032604.db2.gz JBDXOVDMCLTSJR-RYUDHWBXSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCC[NH2+]1 ZINC000049717060 176032607 /nfs/dbraw/zinc/03/26/07/176032607.db2.gz JBDXOVDMCLTSJR-RYUDHWBXSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000020071615 176071866 /nfs/dbraw/zinc/07/18/66/176071866.db2.gz RAKBUGNFDFCCDH-GFCCVEGCSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@@H]1CCCC[N@H+]1CC1([NH3+])CCCCC1 ZINC000020071615 176071868 /nfs/dbraw/zinc/07/18/68/176071868.db2.gz RAKBUGNFDFCCDH-GFCCVEGCSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@@H]1CCC[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000037910403 176107190 /nfs/dbraw/zinc/10/71/90/176107190.db2.gz JOLKXWJZXOHKSE-GFCCVEGCSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@@H]1CCC[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000037910403 176107192 /nfs/dbraw/zinc/10/71/92/176107192.db2.gz JOLKXWJZXOHKSE-GFCCVEGCSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000019807713 176151676 /nfs/dbraw/zinc/15/16/76/176151676.db2.gz NRNSXKXMRDWFNJ-KGLIPLIRSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014410 177032688 /nfs/dbraw/zinc/03/26/88/177032688.db2.gz TVZZTCHGHHGDBQ-ZWNOBZJWSA-N 2 2 238.762 2.695 10 0 BFAELP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014410 177032689 /nfs/dbraw/zinc/03/26/89/177032689.db2.gz TVZZTCHGHHGDBQ-ZWNOBZJWSA-N 2 2 238.762 2.695 10 0 BFAELP C[C@H]1CCC[C@@H]([N@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492446 177120838 /nfs/dbraw/zinc/12/08/38/177120838.db2.gz DTXROVOXKHXSII-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@@H]([N@@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492446 177120840 /nfs/dbraw/zinc/12/08/40/177120840.db2.gz DTXROVOXKHXSII-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)C2CCCC2)C1 ZINC000037084218 177127330 /nfs/dbraw/zinc/12/73/30/177127330.db2.gz HFRCKSSLGYIBHL-GXTWGEPZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)C2CCCC2)C1 ZINC000037084218 177127332 /nfs/dbraw/zinc/12/73/32/177127332.db2.gz HFRCKSSLGYIBHL-GXTWGEPZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@H](C)[NH+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431772 177132734 /nfs/dbraw/zinc/13/27/34/177132734.db2.gz FWRMQNKLZCXAFS-ZDEQEGDKSA-N 2 2 210.365 2.519 10 0 BFAELP C[C@@H](CCc1ccccc1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044482958 177169691 /nfs/dbraw/zinc/16/96/91/177169691.db2.gz QIVWZLNNVNPDDX-GJZGRUSLSA-N 2 2 246.398 2.692 10 0 BFAELP C[C@@H](CCc1ccccc1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000044482958 177169692 /nfs/dbraw/zinc/16/96/92/177169692.db2.gz QIVWZLNNVNPDDX-GJZGRUSLSA-N 2 2 246.398 2.692 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400347259 225040296 /nfs/dbraw/zinc/04/02/96/225040296.db2.gz AKYPURBDSGCVTO-KCQAQPDRSA-N 2 2 232.371 2.786 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1C ZINC000675788786 487779578 /nfs/dbraw/zinc/77/95/78/487779578.db2.gz MDXBVYLAOFEBOZ-IJEWVQPXSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC000675788786 487779580 /nfs/dbraw/zinc/77/95/80/487779580.db2.gz MDXBVYLAOFEBOZ-IJEWVQPXSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1C ZINC000675788785 487779806 /nfs/dbraw/zinc/77/98/06/487779806.db2.gz MDXBVYLAOFEBOZ-DZKIICNBSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1C ZINC000675788785 487779810 /nfs/dbraw/zinc/77/98/10/487779810.db2.gz MDXBVYLAOFEBOZ-DZKIICNBSA-N 2 2 246.398 2.904 10 0 BFAELP CC(C)C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037167056 324388172 /nfs/dbraw/zinc/38/81/72/324388172.db2.gz BBZSBHUXTJUPDV-KBPBESRZSA-N 2 2 228.424 2.987 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000389170346 488079364 /nfs/dbraw/zinc/07/93/64/488079364.db2.gz NRBBGLBUIMGCQW-CYBMUJFWSA-N 2 2 238.400 2.549 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000389170346 488079370 /nfs/dbraw/zinc/07/93/70/488079370.db2.gz NRBBGLBUIMGCQW-CYBMUJFWSA-N 2 2 238.400 2.549 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCC(C)CC1 ZINC000051399048 536469228 /nfs/dbraw/zinc/46/92/28/536469228.db2.gz NALUNWWFGSCJDI-UHFFFAOYSA-N 2 2 247.386 2.654 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771250 535583460 /nfs/dbraw/zinc/58/34/60/535583460.db2.gz GZQONRSTKZOVHO-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771250 535583467 /nfs/dbraw/zinc/58/34/67/535583467.db2.gz GZQONRSTKZOVHO-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)[C@@H]([NH3+])C1 ZINC000757216972 582561420 /nfs/dbraw/zinc/56/14/20/582561420.db2.gz RAJAOXCPAGRPOB-CQDKDKBSSA-N 2 2 244.382 2.736 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCC(C)C)C1 ZINC000309651868 633983445 /nfs/dbraw/zinc/98/34/45/633983445.db2.gz OIPDVPQRPLTECJ-UONOGXRCSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCC(C)C)C1 ZINC000309651868 633983453 /nfs/dbraw/zinc/98/34/53/633983453.db2.gz OIPDVPQRPLTECJ-UONOGXRCSA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C ZINC000336747718 398195351 /nfs/dbraw/zinc/19/53/51/398195351.db2.gz XMFWBBBAEVRZLX-GFCCVEGCSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1cc(N[C@H](C[NH+](C)C)C(C)C)ccc1[NH3+] ZINC000049194735 178187160 /nfs/dbraw/zinc/18/71/60/178187160.db2.gz VDWUHVFBZFTHFR-CQSZACIVSA-N 2 2 235.375 2.575 10 0 BFAELP Cc1cc(Nc2ccccc2[C@H](C)[NH3+])nc(C)[nH+]1 ZINC000104314093 178193154 /nfs/dbraw/zinc/19/31/54/178193154.db2.gz OEQBHTOOVILDSJ-JTQLQIEISA-N 2 2 242.326 2.857 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c(C)s1 ZINC000049687213 178235403 /nfs/dbraw/zinc/23/54/03/178235403.db2.gz HPKWIXGJZYMPRN-GFCCVEGCSA-N 2 2 226.389 2.705 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)C(C)C)c(C)s1 ZINC000049687213 178235405 /nfs/dbraw/zinc/23/54/05/178235405.db2.gz HPKWIXGJZYMPRN-GFCCVEGCSA-N 2 2 226.389 2.705 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC000049687391 178236180 /nfs/dbraw/zinc/23/61/80/178236180.db2.gz UYGWOUHHIFIAOG-TVQRCGJNSA-N 2 2 238.400 2.707 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC000049687391 178236182 /nfs/dbraw/zinc/23/61/82/178236182.db2.gz UYGWOUHHIFIAOG-TVQRCGJNSA-N 2 2 238.400 2.707 10 0 BFAELP Cc1cc2[nH+]cn([C@H](C)CC[NH3+])c2cc1C ZINC000041042676 178305134 /nfs/dbraw/zinc/30/51/34/178305134.db2.gz FUFVCDDPTQKSAT-LLVKDONJSA-N 2 2 217.316 2.563 10 0 BFAELP Cc1cc2[nH+]cn(C3CC[NH2+]CC3)c2cc1C ZINC000036261432 178305938 /nfs/dbraw/zinc/30/59/38/178305938.db2.gz DTEJPUKPQWLOMA-UHFFFAOYSA-N 2 2 229.327 2.578 10 0 BFAELP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502844 343998938 /nfs/dbraw/zinc/99/89/38/343998938.db2.gz HCWQWYQIFZTMBQ-QWHCGFSZSA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502844 343998941 /nfs/dbraw/zinc/99/89/41/343998941.db2.gz HCWQWYQIFZTMBQ-QWHCGFSZSA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000379433453 538977309 /nfs/dbraw/zinc/97/73/09/538977309.db2.gz GCTJFNYFHMPFBZ-MELADBBJSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000379433453 538977311 /nfs/dbraw/zinc/97/73/11/538977311.db2.gz GCTJFNYFHMPFBZ-MELADBBJSA-N 2 2 226.408 2.885 10 0 BFAELP CCC(CC)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153917168 398338389 /nfs/dbraw/zinc/33/83/89/398338389.db2.gz KUBRCIASNVUTDH-CQSZACIVSA-N 2 2 235.375 2.784 10 0 BFAELP CCC(CC)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153917168 398338390 /nfs/dbraw/zinc/33/83/90/398338390.db2.gz KUBRCIASNVUTDH-CQSZACIVSA-N 2 2 235.375 2.784 10 0 BFAELP C[N@H+](CC1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000037925394 187260727 /nfs/dbraw/zinc/26/07/27/187260727.db2.gz HMLWWBCVBGOESV-HZSPNIEDSA-N 2 2 238.419 2.870 10 0 BFAELP C[N@@H+](CC1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000037925394 187260729 /nfs/dbraw/zinc/26/07/29/187260729.db2.gz HMLWWBCVBGOESV-HZSPNIEDSA-N 2 2 238.419 2.870 10 0 BFAELP CC(C)C[C@@H](C[NH3+])[N@H+](Cc1ccco1)C1CC1 ZINC000042692803 187266433 /nfs/dbraw/zinc/26/64/33/187266433.db2.gz RJRYCUGFIUPAGI-ZDUSSCGKSA-N 2 2 236.359 2.617 10 0 BFAELP CC(C)C[C@@H](C[NH3+])[N@@H+](Cc1ccco1)C1CC1 ZINC000042692803 187266435 /nfs/dbraw/zinc/26/64/35/187266435.db2.gz RJRYCUGFIUPAGI-ZDUSSCGKSA-N 2 2 236.359 2.617 10 0 BFAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816398 344236576 /nfs/dbraw/zinc/23/65/76/344236576.db2.gz QEUFIPZLWZAZHW-OCCSQVGLSA-N 2 2 220.360 2.505 10 0 BFAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816398 344236579 /nfs/dbraw/zinc/23/65/79/344236579.db2.gz QEUFIPZLWZAZHW-OCCSQVGLSA-N 2 2 220.360 2.505 10 0 BFAELP Cc1ccc([C@@H](C[NH3+])[NH2+]Cc2ccccc2)cc1 ZINC000082306052 178856502 /nfs/dbraw/zinc/85/65/02/178856502.db2.gz PWWCEMCKQAQEFT-MRXNPFEDSA-N 2 2 240.350 2.785 10 0 BFAELP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000236192575 346206413 /nfs/dbraw/zinc/20/64/13/346206413.db2.gz LRCXMKDCALFVTJ-HNNXBMFYSA-N 2 2 230.355 2.556 10 0 BFAELP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000236192575 346206414 /nfs/dbraw/zinc/20/64/14/346206414.db2.gz LRCXMKDCALFVTJ-HNNXBMFYSA-N 2 2 230.355 2.556 10 0 BFAELP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1Cl ZINC000082328948 537969100 /nfs/dbraw/zinc/96/91/00/537969100.db2.gz NOMFBKJFUXAJSA-AAEUAGOBSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1Cl ZINC000082328948 537969107 /nfs/dbraw/zinc/96/91/07/537969107.db2.gz NOMFBKJFUXAJSA-AAEUAGOBSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCC2)c1 ZINC000061453806 179198950 /nfs/dbraw/zinc/19/89/50/179198950.db2.gz DXULQTYUOQLBAM-HNNXBMFYSA-N 2 2 232.371 2.727 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCC2)c1 ZINC000061453806 179198955 /nfs/dbraw/zinc/19/89/55/179198955.db2.gz DXULQTYUOQLBAM-HNNXBMFYSA-N 2 2 232.371 2.727 10 0 BFAELP Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649346 179273823 /nfs/dbraw/zinc/27/38/23/179273823.db2.gz HHCQJWUSLYNRDX-MRXNPFEDSA-N 2 2 244.382 2.711 10 0 BFAELP Cc1ccccc1C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649346 179273826 /nfs/dbraw/zinc/27/38/26/179273826.db2.gz HHCQJWUSLYNRDX-MRXNPFEDSA-N 2 2 244.382 2.711 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358396820 179338527 /nfs/dbraw/zinc/33/85/27/179338527.db2.gz JTUPTKKKKADBTK-VNHYZAJKSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358396820 179338532 /nfs/dbraw/zinc/33/85/32/179338532.db2.gz JTUPTKKKKADBTK-VNHYZAJKSA-N 2 2 232.371 2.596 10 0 BFAELP CCC[NH+](CCC)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000669381877 537997952 /nfs/dbraw/zinc/99/79/52/537997952.db2.gz YSYDRHLBXRQJJF-MCIONIFRSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1ccc(C[C@@H]2CCC[C@H]3C[NH2+]C[C@H]32)[nH+]c1 ZINC000616576685 349102871 /nfs/dbraw/zinc/10/28/71/349102871.db2.gz ATIARAKHHQOIMS-YDHLFZDLSA-N 2 2 230.355 2.568 10 0 BFAELP Cc1[nH+]c2ccccc2n1CC[C@H]1CCCC[NH2+]1 ZINC000041671361 180103565 /nfs/dbraw/zinc/10/35/65/180103565.db2.gz PZTVYEFRIRZZHS-CYBMUJFWSA-N 2 2 243.354 2.877 10 0 BFAELP Cc1[nH+]c2ccccc2n1[C@H]1CCCC[C@H]1[NH3+] ZINC000019406211 180104805 /nfs/dbraw/zinc/10/48/05/180104805.db2.gz BVSDNUSGUCOHFP-YPMHNXCESA-N 2 2 229.327 2.787 10 0 BFAELP Cc1[nH+]cn(-c2ccc(C[C@H](C)[NH3+])cc2F)c1C ZINC000104260342 180286170 /nfs/dbraw/zinc/28/61/70/180286170.db2.gz UTPIUWUAYPDVKH-VIFPVBQESA-N 2 2 247.317 2.518 10 0 BFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccccc1F ZINC000616623358 351089220 /nfs/dbraw/zinc/08/92/20/351089220.db2.gz DRMTZGWTIHNLOJ-CQSZACIVSA-N 2 2 236.334 2.702 10 0 BFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccccc1F ZINC000616623358 351089224 /nfs/dbraw/zinc/08/92/24/351089224.db2.gz DRMTZGWTIHNLOJ-CQSZACIVSA-N 2 2 236.334 2.702 10 0 BFAELP CC(C)(C)[N@@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616652219 351190693 /nfs/dbraw/zinc/19/06/93/351190693.db2.gz FPSBPSOMXTVVIU-LLVKDONJSA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[N@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616652219 351190695 /nfs/dbraw/zinc/19/06/95/351190695.db2.gz FPSBPSOMXTVVIU-LLVKDONJSA-N 2 2 221.348 2.778 10 0 BFAELP CSc1ccc([C@@H](C[NH3+])[N@H+](C)C(C)C)cc1 ZINC000034938069 351353286 /nfs/dbraw/zinc/35/32/86/351353286.db2.gz WYIBQZISNQBYLK-CYBMUJFWSA-N 2 2 238.400 2.749 10 0 BFAELP CSc1ccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)cc1 ZINC000034938069 351353288 /nfs/dbraw/zinc/35/32/88/351353288.db2.gz WYIBQZISNQBYLK-CYBMUJFWSA-N 2 2 238.400 2.749 10 0 BFAELP CSc1ccc([C@H](C[NH3+])[N@H+](C)C(C)C)cc1 ZINC000034938068 351353574 /nfs/dbraw/zinc/35/35/74/351353574.db2.gz WYIBQZISNQBYLK-ZDUSSCGKSA-N 2 2 238.400 2.749 10 0 BFAELP CSc1ccc([C@H](C[NH3+])[N@@H+](C)C(C)C)cc1 ZINC000034938068 351353576 /nfs/dbraw/zinc/35/35/76/351353576.db2.gz WYIBQZISNQBYLK-ZDUSSCGKSA-N 2 2 238.400 2.749 10 0 BFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000049195526 187607554 /nfs/dbraw/zinc/60/75/54/187607554.db2.gz MOYQOTLGPUGCNX-HIFRSBDPSA-N 2 2 234.387 2.923 10 0 BFAELP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000051790331 188299784 /nfs/dbraw/zinc/29/97/84/188299784.db2.gz IBJBHPQBTCFJMA-DUIXZTDISA-N 2 2 242.366 2.526 10 0 BFAELP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000051790331 188299786 /nfs/dbraw/zinc/29/97/86/188299786.db2.gz IBJBHPQBTCFJMA-DUIXZTDISA-N 2 2 242.366 2.526 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000040502151 358492862 /nfs/dbraw/zinc/49/28/62/358492862.db2.gz YIHBXWWYVCPVAO-ZFWWWQNUSA-N 2 2 232.371 2.822 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000040502151 358492863 /nfs/dbraw/zinc/49/28/63/358492863.db2.gz YIHBXWWYVCPVAO-ZFWWWQNUSA-N 2 2 232.371 2.822 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000389152540 355736583 /nfs/dbraw/zinc/73/65/83/355736583.db2.gz JWLUFCDHYOPTQA-CABCVRRESA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000389152540 355736587 /nfs/dbraw/zinc/73/65/87/355736587.db2.gz JWLUFCDHYOPTQA-CABCVRRESA-N 2 2 238.419 2.885 10 0 BFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(Cl)c1 ZINC000675055809 538476623 /nfs/dbraw/zinc/47/66/23/538476623.db2.gz YWHLJLRPGNEZEF-NWDGAFQWSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(Cl)c1 ZINC000675055809 538476625 /nfs/dbraw/zinc/47/66/25/538476625.db2.gz YWHLJLRPGNEZEF-NWDGAFQWSA-N 2 2 242.725 2.573 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389508198 356695039 /nfs/dbraw/zinc/69/50/39/356695039.db2.gz DNPBJIXCRBXJKX-MRXNPFEDSA-N 2 2 244.382 2.748 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389508198 356695044 /nfs/dbraw/zinc/69/50/44/356695044.db2.gz DNPBJIXCRBXJKX-MRXNPFEDSA-N 2 2 244.382 2.748 10 0 BFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000096986891 538617403 /nfs/dbraw/zinc/61/74/03/538617403.db2.gz MFECWEYODQRINB-JOYOIKCWSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000096986891 538617410 /nfs/dbraw/zinc/61/74/10/538617410.db2.gz MFECWEYODQRINB-JOYOIKCWSA-N 2 2 242.725 2.573 10 0 BFAELP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)(C)C ZINC000389914722 357066550 /nfs/dbraw/zinc/06/65/50/357066550.db2.gz MFPBCCLOBBSZEK-LLVKDONJSA-N 2 2 214.397 2.741 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321339906 357509954 /nfs/dbraw/zinc/50/99/54/357509954.db2.gz BABCEHNHTMQPNA-DGAVXFQQSA-N 2 2 226.408 2.597 10 0 BFAELP C[NH2+][C@@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000054077048 359401179 /nfs/dbraw/zinc/40/11/79/359401179.db2.gz HWEWRWHGMKJPIE-ZDUSSCGKSA-N 2 2 220.360 2.505 10 0 BFAELP C[NH2+][C@@H](C)C[N@@H+](Cc1ccccc1)C(C)C ZINC000054077048 359401185 /nfs/dbraw/zinc/40/11/85/359401185.db2.gz HWEWRWHGMKJPIE-ZDUSSCGKSA-N 2 2 220.360 2.505 10 0 BFAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCC(C)CC1 ZINC000089576265 360027500 /nfs/dbraw/zinc/02/75/00/360027500.db2.gz OOPXTDUGGMRJMW-MOKVOYLWSA-N 2 2 235.375 2.688 10 0 BFAELP CCn1c[nH+]cc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000090170583 360061084 /nfs/dbraw/zinc/06/10/84/360061084.db2.gz LUJHQNKIQITYKB-LLVKDONJSA-N 2 2 233.315 2.655 10 0 BFAELP CCCC(CCC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309408154 491148779 /nfs/dbraw/zinc/14/87/79/491148779.db2.gz BIBOFJRJGYUWFF-TZMCWYRMSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC(CCC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309408154 491148780 /nfs/dbraw/zinc/14/87/80/491148780.db2.gz BIBOFJRJGYUWFF-TZMCWYRMSA-N 2 2 226.408 2.885 10 0 BFAELP [NH3+]CCC[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000311110310 181385602 /nfs/dbraw/zinc/38/56/02/181385602.db2.gz FDUWYHMNODXWSN-CQSZACIVSA-N 2 2 241.338 2.974 10 0 BFAELP CCC[C@@H](C[NH2+]C)[N@H+](CC)Cc1ccccc1 ZINC000216712758 371794109 /nfs/dbraw/zinc/79/41/09/371794109.db2.gz GHXUKRHFPCMGIV-HNNXBMFYSA-N 2 2 234.387 2.897 10 0 BFAELP CCC[C@@H](C[NH2+]C)[N@@H+](CC)Cc1ccccc1 ZINC000216712758 371794113 /nfs/dbraw/zinc/79/41/13/371794113.db2.gz GHXUKRHFPCMGIV-HNNXBMFYSA-N 2 2 234.387 2.897 10 0 BFAELP CC[C@@H](C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C ZINC000132306436 371791905 /nfs/dbraw/zinc/79/19/05/371791905.db2.gz ILIVLFKRENXGTA-HIFRSBDPSA-N 2 2 234.387 2.753 10 0 BFAELP CC[C@@H](C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C ZINC000132306436 371791914 /nfs/dbraw/zinc/79/19/14/371791914.db2.gz ILIVLFKRENXGTA-HIFRSBDPSA-N 2 2 234.387 2.753 10 0 BFAELP CC[C@@H]1CC[NH2+][C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000132779933 371922121 /nfs/dbraw/zinc/92/21/21/371922121.db2.gz PQASKDLFKXLQHY-UKRRQHHQSA-N 2 2 232.371 2.554 10 0 BFAELP CCOc1cccc([C@@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000038970644 372838055 /nfs/dbraw/zinc/83/80/55/372838055.db2.gz MLJHMLFCIUWIBQ-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP CCOc1cccc([C@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000038970645 372838862 /nfs/dbraw/zinc/83/88/62/372838862.db2.gz MLJHMLFCIUWIBQ-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP CCC[N@H+](C)[C@H](c1ccccc1F)[C@H]([NH3+])CC ZINC000043043119 169088772 /nfs/dbraw/zinc/08/87/72/169088772.db2.gz TVVQUVPTYFJSPX-ZIAGYGMSSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](C)[C@H](c1ccccc1F)[C@H]([NH3+])CC ZINC000043043119 169088775 /nfs/dbraw/zinc/08/87/75/169088775.db2.gz TVVQUVPTYFJSPX-ZIAGYGMSSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@H+](C)[C@H](c1ccc(F)cc1)[C@H]([NH3+])CC ZINC000042913730 169089011 /nfs/dbraw/zinc/08/90/11/169089011.db2.gz ZCBQDDDHXMVWIY-ZIAGYGMSSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](C)[C@H](c1ccc(F)cc1)[C@H]([NH3+])CC ZINC000042913730 169089013 /nfs/dbraw/zinc/08/90/13/169089013.db2.gz ZCBQDDDHXMVWIY-ZIAGYGMSSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[NH+](CCC)c1ccc(CC[NH3+])cc1 ZINC000036203138 169151858 /nfs/dbraw/zinc/15/18/58/169151858.db2.gz UIYZKYHISAKKFW-UHFFFAOYSA-N 2 2 220.360 2.814 10 0 BFAELP CCC[N@H+](CC)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913695 169132675 /nfs/dbraw/zinc/13/26/75/169132675.db2.gz IVGAPCGDRYVEQG-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](CC)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913695 169132677 /nfs/dbraw/zinc/13/26/77/169132677.db2.gz IVGAPCGDRYVEQG-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP c1cn2c(cccc2-c2cccc3[nH+]ccn32)[nH+]1 ZINC000089201315 183328732 /nfs/dbraw/zinc/32/87/32/183328732.db2.gz RAGWIEZNYRJZKK-UHFFFAOYSA-N 2 2 234.262 2.649 10 0 BFAELP CCC[N@H+](Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000082500436 169179747 /nfs/dbraw/zinc/17/97/47/169179747.db2.gz GBJJFEWCBYEQRG-GFCCVEGCSA-N 2 2 238.400 2.712 10 0 BFAELP CCC[N@@H+](Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000082500436 169179750 /nfs/dbraw/zinc/17/97/50/169179750.db2.gz GBJJFEWCBYEQRG-GFCCVEGCSA-N 2 2 238.400 2.712 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000035586664 169289681 /nfs/dbraw/zinc/28/96/81/169289681.db2.gz SWCXWKAKCCCZLI-CQSZACIVSA-N 2 2 243.354 2.563 10 0 BFAELP CCC[NH2+]C[C@H](c1ccccc1)[N@H+](C)C1CC1 ZINC000052445643 169264795 /nfs/dbraw/zinc/26/47/95/169264795.db2.gz ZHSOCUGYKLTUFW-OAHLLOKOSA-N 2 2 232.371 2.822 10 0 BFAELP CCC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)C1CC1 ZINC000052445643 169264797 /nfs/dbraw/zinc/26/47/97/169264797.db2.gz ZHSOCUGYKLTUFW-OAHLLOKOSA-N 2 2 232.371 2.822 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708520 169282972 /nfs/dbraw/zinc/28/29/72/169282972.db2.gz OWEYBGILFXLREH-CHWSQXEVSA-N 2 2 236.359 2.632 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708520 169282974 /nfs/dbraw/zinc/28/29/74/169282974.db2.gz OWEYBGILFXLREH-CHWSQXEVSA-N 2 2 236.359 2.632 10 0 BFAELP CCC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000036790178 169366443 /nfs/dbraw/zinc/36/64/43/169366443.db2.gz UVTPIJHRMCBFRA-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000036790178 169366445 /nfs/dbraw/zinc/36/64/45/169366445.db2.gz UVTPIJHRMCBFRA-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1C ZINC000112344611 383919666 /nfs/dbraw/zinc/91/96/66/383919666.db2.gz FAWFLGWGVYINPD-GFCCVEGCSA-N 2 2 229.327 2.877 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309388009 383957135 /nfs/dbraw/zinc/95/71/35/383957135.db2.gz SLTNVMKRNRCUKR-REWJHTLYSA-N 2 2 226.408 2.597 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)CC)C1 ZINC000181125733 384449352 /nfs/dbraw/zinc/44/93/52/384449352.db2.gz MFSCGPIWPMWLNA-QWHCGFSZSA-N 2 2 235.375 2.881 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)CC)C1 ZINC000181125733 384449358 /nfs/dbraw/zinc/44/93/58/384449358.db2.gz MFSCGPIWPMWLNA-QWHCGFSZSA-N 2 2 235.375 2.881 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000310041232 384810773 /nfs/dbraw/zinc/81/07/73/384810773.db2.gz YKHPXIQXDRRDMC-ZIAGYGMSSA-N 2 2 224.392 2.641 10 0 BFAELP CCC[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000366208176 384920106 /nfs/dbraw/zinc/92/01/06/384920106.db2.gz GOBGJIRHSONTIH-RYUDHWBXSA-N 2 2 221.348 2.539 10 0 BFAELP Cn1c2ccccc2[nH+]c1CCC[NH2+]CC1CC1 ZINC000107796497 385002161 /nfs/dbraw/zinc/00/21/61/385002161.db2.gz VMRFFHMLGBFAFG-UHFFFAOYSA-N 2 2 243.354 2.506 10 0 BFAELP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000414550128 385730634 /nfs/dbraw/zinc/73/06/34/385730634.db2.gz MSQVKUSYZSSQDU-GDBMZVCRSA-N 2 2 246.398 2.864 10 0 BFAELP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000414550128 385730637 /nfs/dbraw/zinc/73/06/37/385730637.db2.gz MSQVKUSYZSSQDU-GDBMZVCRSA-N 2 2 246.398 2.864 10 0 BFAELP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021961848 386087259 /nfs/dbraw/zinc/08/72/59/386087259.db2.gz ZVXHRKYFCOCATI-STQMWFEESA-N 2 2 226.408 2.743 10 0 BFAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447250 386367781 /nfs/dbraw/zinc/36/77/81/386367781.db2.gz LRNYZPCFIMUBKG-SKDRFNHKSA-N 2 2 240.297 2.546 10 0 BFAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447250 386367785 /nfs/dbraw/zinc/36/77/85/386367785.db2.gz LRNYZPCFIMUBKG-SKDRFNHKSA-N 2 2 240.297 2.546 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CC)C1 ZINC000391200006 386482332 /nfs/dbraw/zinc/48/23/32/386482332.db2.gz ZJNZPKBSSZPXQK-CYBMUJFWSA-N 2 2 226.408 2.887 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CC)C1 ZINC000391200006 386482334 /nfs/dbraw/zinc/48/23/34/386482334.db2.gz ZJNZPKBSSZPXQK-CYBMUJFWSA-N 2 2 226.408 2.887 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC1(C)C ZINC000336644675 386594057 /nfs/dbraw/zinc/59/40/57/386594057.db2.gz CLAQFRNSQKMZEK-OLZOCXBDSA-N 2 2 226.408 2.741 10 0 BFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC1(C)C ZINC000336644676 386595427 /nfs/dbraw/zinc/59/54/27/386595427.db2.gz CLAQFRNSQKMZEK-QWHCGFSZSA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@H]([NH2+]CC[NH+](CC)CC)C(C)(C)C ZINC000336733666 386536451 /nfs/dbraw/zinc/53/64/51/386536451.db2.gz MPEJZJXUBDTQRN-LBPRGKRZSA-N 2 2 214.397 2.743 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000396541559 386770821 /nfs/dbraw/zinc/77/08/21/386770821.db2.gz ARMZEFMJSRMXAO-MJVIPROJSA-N 2 2 236.334 2.617 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccs1 ZINC000396557737 386775372 /nfs/dbraw/zinc/77/53/72/386775372.db2.gz GVWJRVUOORRMHD-VWYCJHECSA-N 2 2 224.373 2.539 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccs1 ZINC000396685344 387482652 /nfs/dbraw/zinc/48/26/52/387482652.db2.gz XXERAUXLXDQRHM-SDDRHHMPSA-N 2 2 238.400 2.929 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000309494287 387808912 /nfs/dbraw/zinc/80/89/12/387808912.db2.gz XZGHLXLCABHRGD-ZIAGYGMSSA-N 2 2 222.376 2.559 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000309494287 387808913 /nfs/dbraw/zinc/80/89/13/387808913.db2.gz XZGHLXLCABHRGD-ZIAGYGMSSA-N 2 2 222.376 2.559 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000336723181 388468742 /nfs/dbraw/zinc/46/87/42/388468742.db2.gz DYKTXWNUZZQBGA-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000336723181 388468744 /nfs/dbraw/zinc/46/87/44/388468744.db2.gz DYKTXWNUZZQBGA-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000336723183 388469050 /nfs/dbraw/zinc/46/90/50/388469050.db2.gz DYKTXWNUZZQBGA-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000336723183 388469053 /nfs/dbraw/zinc/46/90/53/388469053.db2.gz DYKTXWNUZZQBGA-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C1CCC1 ZINC000322409089 388434152 /nfs/dbraw/zinc/43/41/52/388434152.db2.gz VIQJUIBZPFHAAB-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000322409089 388434154 /nfs/dbraw/zinc/43/41/54/388434154.db2.gz VIQJUIBZPFHAAB-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C1CCC1 ZINC000322409090 388434340 /nfs/dbraw/zinc/43/43/40/388434340.db2.gz VIQJUIBZPFHAAB-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000322409090 388434341 /nfs/dbraw/zinc/43/43/41/388434341.db2.gz VIQJUIBZPFHAAB-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)C)C1 ZINC000328174074 388581588 /nfs/dbraw/zinc/58/15/88/388581588.db2.gz KSOFKYNDAAMJLR-SOUVJXGZSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)C)C1 ZINC000328174074 388581589 /nfs/dbraw/zinc/58/15/89/388581589.db2.gz KSOFKYNDAAMJLR-SOUVJXGZSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000400589116 533499526 /nfs/dbraw/zinc/49/95/26/533499526.db2.gz TUGHCYMCUWITDP-AXFHLTTASA-N 2 2 224.373 2.539 10 0 BFAELP CC(C)(C)[NH2+]C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000053702648 132363121 /nfs/dbraw/zinc/36/31/21/132363121.db2.gz IDEBWBQOCOJRPY-CYBMUJFWSA-N 2 2 247.386 2.686 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000250215462 135050097 /nfs/dbraw/zinc/05/00/97/135050097.db2.gz DDSFIJGMNBRCKF-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000250215462 135050099 /nfs/dbraw/zinc/05/00/99/135050099.db2.gz DDSFIJGMNBRCKF-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000250238375 135050867 /nfs/dbraw/zinc/05/08/67/135050867.db2.gz GZQONRSTKZOVHO-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000250238375 135050870 /nfs/dbraw/zinc/05/08/70/135050870.db2.gz GZQONRSTKZOVHO-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)Oc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000032497104 167300349 /nfs/dbraw/zinc/30/03/49/167300349.db2.gz QMZNTYXGJAESQK-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401770786 411170375 /nfs/dbraw/zinc/17/03/75/411170375.db2.gz JIIVRHFKTLYVTA-UBHSHLNASA-N 2 2 232.371 2.644 10 0 BFAELP CC1(C[NH2+]C[C@@H]([NH3+])c2ccccc2)CCCC1 ZINC000104435083 168042136 /nfs/dbraw/zinc/04/21/36/168042136.db2.gz KSVFYIPMOGHZBJ-CQSZACIVSA-N 2 2 232.371 2.856 10 0 BFAELP CC1CCC(C[NH3+])([N@H+](C)Cc2ccco2)CC1 ZINC000035126761 168152659 /nfs/dbraw/zinc/15/26/59/168152659.db2.gz TZPVKTISGTURMO-UHFFFAOYSA-N 2 2 236.359 2.619 10 0 BFAELP CC1CCC(C[NH3+])([N@@H+](C)Cc2ccco2)CC1 ZINC000035126761 168152663 /nfs/dbraw/zinc/15/26/63/168152663.db2.gz TZPVKTISGTURMO-UHFFFAOYSA-N 2 2 236.359 2.619 10 0 BFAELP CC1CC[NH+](C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071357 168183573 /nfs/dbraw/zinc/18/35/73/168183573.db2.gz UBJKPKJUQQZTGU-ILXRZTDVSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[NH+]1CCC(C)CC1 ZINC000043114933 168185481 /nfs/dbraw/zinc/18/54/81/168185481.db2.gz GAQDNUPNFHTWPS-DGCLKSJQSA-N 2 2 238.400 2.868 10 0 BFAELP C[C@H]([NH3+])[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000043102118 168185991 /nfs/dbraw/zinc/18/59/91/168185991.db2.gz CLMFVVPQBDPCDW-WCQYABFASA-N 2 2 238.400 2.868 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000043102112 168186901 /nfs/dbraw/zinc/18/69/01/168186901.db2.gz CLMFVVPQBDPCDW-DGCLKSJQSA-N 2 2 238.400 2.868 10 0 BFAELP C[C@H]([NH3+])[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000043102122 168187743 /nfs/dbraw/zinc/18/77/43/168187743.db2.gz CLMFVVPQBDPCDW-AAEUAGOBSA-N 2 2 238.400 2.868 10 0 BFAELP CCC(C)(C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601444 168287727 /nfs/dbraw/zinc/28/77/27/168287727.db2.gz NSKJEQAEAFIZGS-YHWZYXNKSA-N 2 2 224.392 2.780 10 0 BFAELP CCC(C)(C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601444 168287729 /nfs/dbraw/zinc/28/77/29/168287729.db2.gz NSKJEQAEAFIZGS-YHWZYXNKSA-N 2 2 224.392 2.780 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2C)C1 ZINC000328229343 170021923 /nfs/dbraw/zinc/02/19/23/170021923.db2.gz CVECPKFBDDMFJI-ZBFHGGJFSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2C)C1 ZINC000328229343 170021924 /nfs/dbraw/zinc/02/19/24/170021924.db2.gz CVECPKFBDDMFJI-ZBFHGGJFSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000336891035 170021936 /nfs/dbraw/zinc/02/19/36/170021936.db2.gz IHKFYNCZIDTPAF-AAEUAGOBSA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000336891035 170021937 /nfs/dbraw/zinc/02/19/37/170021937.db2.gz IHKFYNCZIDTPAF-AAEUAGOBSA-N 2 2 236.359 2.641 10 0 BFAELP CC[NH2+]C[C@@H](c1ccccc1)n1c[nH+]c(C)c1C ZINC000052593799 170120445 /nfs/dbraw/zinc/12/04/45/170120445.db2.gz SPAACNYOBAPUJH-HNNXBMFYSA-N 2 2 243.354 2.699 10 0 BFAELP CC[NH2+]Cc1occc1C[N@H+](C)Cc1ccco1 ZINC000052456699 170132985 /nfs/dbraw/zinc/13/29/85/170132985.db2.gz YIKDLFZLSXGTMA-UHFFFAOYSA-N 2 2 248.326 2.614 10 0 BFAELP CC[NH2+]Cc1occc1C[N@@H+](C)Cc1ccco1 ZINC000052456699 170132986 /nfs/dbraw/zinc/13/29/86/170132986.db2.gz YIKDLFZLSXGTMA-UHFFFAOYSA-N 2 2 248.326 2.614 10 0 BFAELP CC[NH2+][C@@H](CCC1CCCC1)Cc1[nH]cc[nH+]1 ZINC000035570299 170144887 /nfs/dbraw/zinc/14/48/87/170144887.db2.gz QMUZFCWGUDCLKD-ZDUSSCGKSA-N 2 2 235.375 2.901 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000035570482 170145748 /nfs/dbraw/zinc/14/57/48/170145748.db2.gz IFFXIVACPCHDJU-ZDUSSCGKSA-N 2 2 229.327 2.611 10 0 BFAELP CC[NH2+][C@@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC000095091427 170156272 /nfs/dbraw/zinc/15/62/72/170156272.db2.gz SJUGAQIIRSKZHV-HNNXBMFYSA-N 2 2 232.371 2.651 10 0 BFAELP CC[NH2+][C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091427 170156273 /nfs/dbraw/zinc/15/62/73/170156273.db2.gz SJUGAQIIRSKZHV-HNNXBMFYSA-N 2 2 232.371 2.651 10 0 BFAELP CC[NH2+][C@H](CCC1CCCC1)Cc1[nH]cc[nH+]1 ZINC000035570301 170161842 /nfs/dbraw/zinc/16/18/42/170161842.db2.gz QMUZFCWGUDCLKD-CYBMUJFWSA-N 2 2 235.375 2.901 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(CC)cc1 ZINC000035570179 170162988 /nfs/dbraw/zinc/16/29/88/170162988.db2.gz KNTIVBJDFLUJIE-CQSZACIVSA-N 2 2 243.354 2.865 10 0 BFAELP CC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806744 170165665 /nfs/dbraw/zinc/16/56/65/170165665.db2.gz GYCZXLOGOVYURE-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417784 170169039 /nfs/dbraw/zinc/16/90/39/170169039.db2.gz ZHXBIDKYMBPPKN-YTFOTSKYSA-N 2 2 238.419 2.741 10 0 BFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417784 170169041 /nfs/dbraw/zinc/16/90/41/170169041.db2.gz ZHXBIDKYMBPPKN-YTFOTSKYSA-N 2 2 238.419 2.741 10 0 BFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000042975100 170867809 /nfs/dbraw/zinc/86/78/09/170867809.db2.gz CMLKRVCIWKQSKZ-VXGBXAGGSA-N 2 2 226.751 2.680 10 0 BFAELP CCn1c[nH+]c2cc(CCCCC[NH3+])ccc21 ZINC000107288920 172231822 /nfs/dbraw/zinc/23/18/22/172231822.db2.gz NMBFNMGCZROKTJ-UHFFFAOYSA-N 2 2 231.343 2.728 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104412299 173367009 /nfs/dbraw/zinc/36/70/09/173367009.db2.gz LSZCWFNMYBAYIY-QEJZJMRPSA-N 2 2 232.371 2.535 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104412299 173367011 /nfs/dbraw/zinc/36/70/11/173367011.db2.gz LSZCWFNMYBAYIY-QEJZJMRPSA-N 2 2 232.371 2.535 10 0 BFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2CCCC[C@H]2C)c1 ZINC000036092663 175293853 /nfs/dbraw/zinc/29/38/53/175293853.db2.gz XZDKHCZFPIUAMW-DOMZBBRYSA-N 2 2 248.370 2.569 10 0 BFAELP COc1cccc([C@H](C[NH3+])[N@H+]2CCCC[C@H]2C)c1 ZINC000036092663 175293855 /nfs/dbraw/zinc/29/38/55/175293855.db2.gz XZDKHCZFPIUAMW-DOMZBBRYSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043096740 175354413 /nfs/dbraw/zinc/35/44/13/175354413.db2.gz ZSJSGYGWRHQFKL-DOMZBBRYSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@H](C[NH3+])[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062012961 176014438 /nfs/dbraw/zinc/01/44/38/176014438.db2.gz NZWGODMCUJWRLY-ZJUUUORDSA-N 2 2 226.751 2.680 10 0 BFAELP C[C@H](C[NH3+])[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062012961 176014439 /nfs/dbraw/zinc/01/44/39/176014439.db2.gz NZWGODMCUJWRLY-ZJUUUORDSA-N 2 2 226.751 2.680 10 0 BFAELP C[C@H](C[NH3+])[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062013019 176018005 /nfs/dbraw/zinc/01/80/05/176018005.db2.gz YPGUMPKVMBDCAT-ZJUUUORDSA-N 2 2 226.751 2.680 10 0 BFAELP C[C@H](C[NH3+])[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062013019 176018008 /nfs/dbraw/zinc/01/80/08/176018008.db2.gz YPGUMPKVMBDCAT-ZJUUUORDSA-N 2 2 226.751 2.680 10 0 BFAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([NH+]2CCCC2)C1 ZINC000019807628 176052166 /nfs/dbraw/zinc/05/21/66/176052166.db2.gz VHPOCADVFHCBJY-OCCSQVGLSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000037910435 176109837 /nfs/dbraw/zinc/10/98/37/176109837.db2.gz ZLXXPLOPOCJRPJ-MFKMUULPSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000037910435 176109839 /nfs/dbraw/zinc/10/98/39/176109839.db2.gz ZLXXPLOPOCJRPJ-MFKMUULPSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC1([NH3+])CCCC1 ZINC000037479590 176115856 /nfs/dbraw/zinc/11/58/56/176115856.db2.gz SGQRSYXBQLQIAR-VXGBXAGGSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@@H]1CCC[C@H]([N@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495849 176140415 /nfs/dbraw/zinc/14/04/15/176140415.db2.gz SFPDRFLAAYEILJ-OLZOCXBDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@H]([N@@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495849 176140417 /nfs/dbraw/zinc/14/04/17/176140417.db2.gz SFPDRFLAAYEILJ-OLZOCXBDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CC[N@@H+](C2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000051730529 176166221 /nfs/dbraw/zinc/16/62/21/176166221.db2.gz GSCHBAPJKOEPOL-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CC[N@H+](C2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000051730529 176166222 /nfs/dbraw/zinc/16/62/22/176166222.db2.gz GSCHBAPJKOEPOL-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC000049660821 176166554 /nfs/dbraw/zinc/16/65/54/176166554.db2.gz NOAUUHZCWPLHAP-DYCFOQDWSA-N 2 2 248.414 2.639 10 0 BFAELP C[C@@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)CC[NH2+]1 ZINC000049660821 176166557 /nfs/dbraw/zinc/16/65/57/176166557.db2.gz NOAUUHZCWPLHAP-DYCFOQDWSA-N 2 2 248.414 2.639 10 0 BFAELP C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062619226 176308085 /nfs/dbraw/zinc/30/80/85/176308085.db2.gz MIVXJFWZDXDTNJ-LLVKDONJSA-N 2 2 238.762 2.524 10 0 BFAELP C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062619226 176308087 /nfs/dbraw/zinc/30/80/87/176308087.db2.gz MIVXJFWZDXDTNJ-LLVKDONJSA-N 2 2 238.762 2.524 10 0 BFAELP C[C@H](c1cccs1)[N@H+](C)C[C@@H]1CCCC[NH2+]1 ZINC000049717061 177049217 /nfs/dbraw/zinc/04/92/17/177049217.db2.gz JBDXOVDMCLTSJR-NEPJUHHUSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCC[NH2+]1 ZINC000049717061 177049220 /nfs/dbraw/zinc/04/92/20/177049220.db2.gz JBDXOVDMCLTSJR-NEPJUHHUSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606790 177086856 /nfs/dbraw/zinc/08/68/56/177086856.db2.gz QGPJSPQTDZLCDY-XQQFMLRXSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606790 177086857 /nfs/dbraw/zinc/08/68/57/177086857.db2.gz QGPJSPQTDZLCDY-XQQFMLRXSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)C2CCCC2)C1 ZINC000037084220 177143415 /nfs/dbraw/zinc/14/34/15/177143415.db2.gz HFRCKSSLGYIBHL-JSGCOSHPSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)C2CCCC2)C1 ZINC000037084220 177143416 /nfs/dbraw/zinc/14/34/16/177143416.db2.gz HFRCKSSLGYIBHL-JSGCOSHPSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CC[N@@H+](C(C)(C)CC(C)(C)C)CC[NH2+]1 ZINC000043437119 177157017 /nfs/dbraw/zinc/15/70/17/177157017.db2.gz UJAIQLFCSIQRCR-LBPRGKRZSA-N 2 2 226.408 2.885 10 0 BFAELP C[C@H]1CC[N@H+](C(C)(C)CC(C)(C)C)CC[NH2+]1 ZINC000043437119 177157018 /nfs/dbraw/zinc/15/70/18/177157018.db2.gz UJAIQLFCSIQRCR-LBPRGKRZSA-N 2 2 226.408 2.885 10 0 BFAELP C[C@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000235622833 177157657 /nfs/dbraw/zinc/15/76/57/177157657.db2.gz IQXAYUDWGBRLAP-BNVCYRGBSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000235622833 177157658 /nfs/dbraw/zinc/15/76/58/177157658.db2.gz IQXAYUDWGBRLAP-BNVCYRGBSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@H](CC[N@@H+]1CC[NH2+]C[C@H](C)C1)c1ccccc1 ZINC000061911675 177283130 /nfs/dbraw/zinc/28/31/30/177283130.db2.gz OVYPAMWHWWMQLW-LSDHHAIUSA-N 2 2 246.398 2.722 10 0 BFAELP C[C@H](CC[N@H+]1CC[NH2+]C[C@H](C)C1)c1ccccc1 ZINC000061911675 177283131 /nfs/dbraw/zinc/28/31/31/177283131.db2.gz OVYPAMWHWWMQLW-LSDHHAIUSA-N 2 2 246.398 2.722 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023069301 177314654 /nfs/dbraw/zinc/31/46/54/177314654.db2.gz XPLVMAQLUPYSMC-RFQIPJPRSA-N 2 2 224.392 2.624 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023069301 177314657 /nfs/dbraw/zinc/31/46/57/177314657.db2.gz XPLVMAQLUPYSMC-RFQIPJPRSA-N 2 2 224.392 2.624 10 0 BFAELP C[C@H]1C[C@H](C)C[NH+](CC2([NH3+])CCCCC2)C1 ZINC000020073602 177358893 /nfs/dbraw/zinc/35/88/93/177358893.db2.gz UJPJKCBFTPXZCU-STQMWFEESA-N 2 2 224.392 2.626 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000328393314 487674901 /nfs/dbraw/zinc/67/49/01/487674901.db2.gz YLZFQAPDCIMCPB-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000328393314 487674907 /nfs/dbraw/zinc/67/49/07/487674907.db2.gz YLZFQAPDCIMCPB-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCC[C@@H](C)C1 ZINC000051399949 536469089 /nfs/dbraw/zinc/46/90/89/536469089.db2.gz DMYMVGYMABJHGC-LLVKDONJSA-N 2 2 247.386 2.654 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000250238374 535540983 /nfs/dbraw/zinc/54/09/83/535540983.db2.gz GZQONRSTKZOVHO-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000250238374 535540988 /nfs/dbraw/zinc/54/09/88/535540988.db2.gz GZQONRSTKZOVHO-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129858 582504239 /nfs/dbraw/zinc/50/42/39/582504239.db2.gz NBLUBLPWOUGPDM-DZGCQCFKSA-N 2 2 236.403 2.735 10 0 BFAELP CCC[C@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129858 582504240 /nfs/dbraw/zinc/50/42/40/582504240.db2.gz NBLUBLPWOUGPDM-DZGCQCFKSA-N 2 2 236.403 2.735 10 0 BFAELP CCC[C@@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129885 582504806 /nfs/dbraw/zinc/50/48/06/582504806.db2.gz NBLUBLPWOUGPDM-HIFRSBDPSA-N 2 2 236.403 2.735 10 0 BFAELP CCC[C@@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129885 582504808 /nfs/dbraw/zinc/50/48/08/582504808.db2.gz NBLUBLPWOUGPDM-HIFRSBDPSA-N 2 2 236.403 2.735 10 0 BFAELP CCC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188408002 582673976 /nfs/dbraw/zinc/67/39/76/582673976.db2.gz FQUARMCFRXDLAE-UONOGXRCSA-N 2 2 235.375 2.784 10 0 BFAELP CCC[C@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188408002 582673977 /nfs/dbraw/zinc/67/39/77/582673977.db2.gz FQUARMCFRXDLAE-UONOGXRCSA-N 2 2 235.375 2.784 10 0 BFAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cscc2C(F)F)[NH2+]1 ZINC000757235837 586443792 /nfs/dbraw/zinc/44/37/92/586443792.db2.gz MXJKCPDUMJTYMB-DRTBCBBWSA-N 2 2 246.326 2.826 10 0 BFAELP C[C@@H]1C[NH2+][C@H](c2cscc2C(F)F)[C@H]([NH3+])C1 ZINC000757238549 586444288 /nfs/dbraw/zinc/44/42/88/586444288.db2.gz SORYMMGGUKODFE-WQGWLQIFSA-N 2 2 246.326 2.684 10 0 BFAELP Cc1cc(C[C@H](C)[NH3+])ccc1[N@H+](C)CC1CC1 ZINC000104256574 178057182 /nfs/dbraw/zinc/05/71/82/178057182.db2.gz HUMBLSGTPLNAKM-LBPRGKRZSA-N 2 2 232.371 2.731 10 0 BFAELP Cc1cc(C[C@H](C)[NH3+])ccc1[N@@H+](C)CC1CC1 ZINC000104256574 178057184 /nfs/dbraw/zinc/05/71/84/178057184.db2.gz HUMBLSGTPLNAKM-LBPRGKRZSA-N 2 2 232.371 2.731 10 0 BFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000050578456 178091823 /nfs/dbraw/zinc/09/18/23/178091823.db2.gz SXNLFHCJPNAZRU-CQSZACIVSA-N 2 2 238.350 2.722 10 0 BFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)CC(C)C ZINC000050578456 178091826 /nfs/dbraw/zinc/09/18/26/178091826.db2.gz SXNLFHCJPNAZRU-CQSZACIVSA-N 2 2 238.350 2.722 10 0 BFAELP Cc1cc2ccccc2[nH+]c1N(C)[C@H](C)CC[NH3+] ZINC000063105440 178298835 /nfs/dbraw/zinc/29/88/35/178298835.db2.gz JRERPQSRHVJRAG-GFCCVEGCSA-N 2 2 243.354 2.717 10 0 BFAELP Cc1cc2[nH+]cn([C@@H]3CC[C@H](C)[NH2+]C3)c2cc1C ZINC000062949150 178305817 /nfs/dbraw/zinc/30/58/17/178305817.db2.gz ZRMMMGXDCOMECT-QWHCGFSZSA-N 2 2 243.354 2.966 10 0 BFAELP CCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000040502843 343998912 /nfs/dbraw/zinc/99/89/12/343998912.db2.gz HCWQWYQIFZTMBQ-CHWSQXEVSA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000040502843 343998917 /nfs/dbraw/zinc/99/89/17/343998917.db2.gz HCWQWYQIFZTMBQ-CHWSQXEVSA-N 2 2 212.381 2.639 10 0 BFAELP CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037106354 538961696 /nfs/dbraw/zinc/96/16/96/538961696.db2.gz UNECYHHVMJCSFI-XQQFMLRXSA-N 2 2 221.348 2.612 10 0 BFAELP CC(C)CC[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037106717 538961770 /nfs/dbraw/zinc/96/17/70/538961770.db2.gz SNTYMVXPJWXXFG-OLZOCXBDSA-N 2 2 221.348 2.612 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000381706649 539006017 /nfs/dbraw/zinc/00/60/17/539006017.db2.gz JKBMNBWFKUGYMY-IHRRRGAJSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000381706649 539006019 /nfs/dbraw/zinc/00/60/19/539006019.db2.gz JKBMNBWFKUGYMY-IHRRRGAJSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000381703577 539006138 /nfs/dbraw/zinc/00/61/38/539006138.db2.gz IUHCLTKEOLKVHS-AVGNSLFASA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000381703577 539006140 /nfs/dbraw/zinc/00/61/40/539006140.db2.gz IUHCLTKEOLKVHS-AVGNSLFASA-N 2 2 226.408 2.598 10 0 BFAELP Cc1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2)cc1 ZINC000230805702 398295459 /nfs/dbraw/zinc/29/54/59/398295459.db2.gz SJQHIQMORXYVAA-INIZCTEOSA-N 2 2 240.350 2.785 10 0 BFAELP C[C@@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@H]1C[C@H]1C ZINC000322227058 259352539 /nfs/dbraw/zinc/35/25/39/259352539.db2.gz YSYYAXJMZCNRBT-VDERGJSUSA-N 2 2 246.398 2.923 10 0 BFAELP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671102 343407919 /nfs/dbraw/zinc/40/79/19/343407919.db2.gz JOUKIXDPKZNZKU-ZBFHGGJFSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671102 343407920 /nfs/dbraw/zinc/40/79/20/343407920.db2.gz JOUKIXDPKZNZKU-ZBFHGGJFSA-N 2 2 246.398 2.692 10 0 BFAELP CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000132705945 344306614 /nfs/dbraw/zinc/30/66/14/344306614.db2.gz GUEMRIMLWBMCFP-CHWSQXEVSA-N 2 2 212.381 2.639 10 0 BFAELP CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000132705945 344306615 /nfs/dbraw/zinc/30/66/15/344306615.db2.gz GUEMRIMLWBMCFP-CHWSQXEVSA-N 2 2 212.381 2.639 10 0 BFAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2cccc[nH+]2)CC1 ZINC000154903603 345056559 /nfs/dbraw/zinc/05/65/59/345056559.db2.gz GVJVOWZLXKIUHM-CYBMUJFWSA-N 2 2 245.370 2.535 10 0 BFAELP C[C@@H]1CCC[N@H+]1C1CCN(c2cccc[nH+]2)CC1 ZINC000154903603 345056562 /nfs/dbraw/zinc/05/65/62/345056562.db2.gz GVJVOWZLXKIUHM-CYBMUJFWSA-N 2 2 245.370 2.535 10 0 BFAELP C[C@H]1CCC[N@@H+]1C1CCN(c2cccc[nH+]2)CC1 ZINC000154903718 345056805 /nfs/dbraw/zinc/05/68/05/345056805.db2.gz GVJVOWZLXKIUHM-ZDUSSCGKSA-N 2 2 245.370 2.535 10 0 BFAELP C[C@H]1CCC[N@H+]1C1CCN(c2cccc[nH+]2)CC1 ZINC000154903718 345056808 /nfs/dbraw/zinc/05/68/08/345056808.db2.gz GVJVOWZLXKIUHM-ZDUSSCGKSA-N 2 2 245.370 2.535 10 0 BFAELP c1cn(CCCCCCCn2cc[nH+]c2)c[nH+]1 ZINC000034416765 345828767 /nfs/dbraw/zinc/82/87/67/345828767.db2.gz SDYQMTAMZPNGJF-UHFFFAOYSA-N 2 2 232.331 2.730 10 0 BFAELP Cc1cccc([C@H]([C@H](C)[NH3+])[NH+]2CCCCC2)c1 ZINC000042965492 179203968 /nfs/dbraw/zinc/20/39/68/179203968.db2.gz OFEOPDRSENIJSD-ZFWWWQNUSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1ccccc1C[N@H+](C)CC[NH2+]C1CCCC1 ZINC000042436113 179270372 /nfs/dbraw/zinc/27/03/72/179270372.db2.gz QCHYQIUPZOVAPD-UHFFFAOYSA-N 2 2 246.398 2.959 10 0 BFAELP Cc1ccccc1C[N@@H+](C)CC[NH2+]C1CCCC1 ZINC000042436113 179270374 /nfs/dbraw/zinc/27/03/74/179270374.db2.gz QCHYQIUPZOVAPD-UHFFFAOYSA-N 2 2 246.398 2.959 10 0 BFAELP CC(C)[NH+](C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1)C(C)C ZINC000669381683 537994537 /nfs/dbraw/zinc/99/45/37/537994537.db2.gz RNRUPUOKRBBZSZ-MCIONIFRSA-N 2 2 226.408 2.882 10 0 BFAELP Cc1cccn2c([C@@H]([NH3+])C(C)(C)C)c[nH+]c12 ZINC000031911696 179354024 /nfs/dbraw/zinc/35/40/24/179354024.db2.gz UCXATRPFMAGGCG-LLVKDONJSA-N 2 2 217.316 2.689 10 0 BFAELP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043247244 179553853 /nfs/dbraw/zinc/55/38/53/179553853.db2.gz BXWVYGMBCITFCW-VXGBXAGGSA-N 2 2 238.400 2.931 10 0 BFAELP Cc1[nH+]c2ccccc2n1CC[C@H]1CCC[NH2+]C1 ZINC000051919774 180103511 /nfs/dbraw/zinc/10/35/11/180103511.db2.gz JUMQPBULUATDKU-CYBMUJFWSA-N 2 2 243.354 2.734 10 0 BFAELP Cc1[nH+]ccn1C[C@H]([NH3+])c1cc2ccccc2o1 ZINC000019393647 180268582 /nfs/dbraw/zinc/26/85/82/180268582.db2.gz DRCXYCOAZYTIHD-LBPRGKRZSA-N 2 2 241.294 2.638 10 0 BFAELP CCC[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417389 350991732 /nfs/dbraw/zinc/99/17/32/350991732.db2.gz LEKGKTBILGJMFY-CYBMUJFWSA-N 2 2 220.360 2.507 10 0 BFAELP CCC[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417389 350991737 /nfs/dbraw/zinc/99/17/37/350991737.db2.gz LEKGKTBILGJMFY-CYBMUJFWSA-N 2 2 220.360 2.507 10 0 BFAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000336742395 352394702 /nfs/dbraw/zinc/39/47/02/352394702.db2.gz RYPRWWBRHNIRMO-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000336742395 352394703 /nfs/dbraw/zinc/39/47/03/352394703.db2.gz RYPRWWBRHNIRMO-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000038086879 188290575 /nfs/dbraw/zinc/29/05/75/188290575.db2.gz JLWNFWHJDZXUFX-QLFBSQMISA-N 2 2 238.419 2.743 10 0 BFAELP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000038086879 188290576 /nfs/dbraw/zinc/29/05/76/188290576.db2.gz JLWNFWHJDZXUFX-QLFBSQMISA-N 2 2 238.419 2.743 10 0 BFAELP C([NH2+]C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCCC1 ZINC000112392814 188327150 /nfs/dbraw/zinc/32/71/50/188327150.db2.gz BXCAVDNEOGJOTP-HNNXBMFYSA-N 2 2 236.403 2.926 10 0 BFAELP C([NH2+]C1CC1)[C@@H]1CCCC[N@H+]1C1CCCCC1 ZINC000112392814 188327152 /nfs/dbraw/zinc/32/71/52/188327152.db2.gz BXCAVDNEOGJOTP-HNNXBMFYSA-N 2 2 236.403 2.926 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000040502399 358494073 /nfs/dbraw/zinc/49/40/73/358494073.db2.gz MVDWHSGYAKSWAR-KBPBESRZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000040502399 358494076 /nfs/dbraw/zinc/49/40/76/358494076.db2.gz MVDWHSGYAKSWAR-KBPBESRZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000389152542 355736538 /nfs/dbraw/zinc/73/65/38/355736538.db2.gz JWLUFCDHYOPTQA-HUUCEWRRSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000389152542 355736541 /nfs/dbraw/zinc/73/65/41/355736541.db2.gz JWLUFCDHYOPTQA-HUUCEWRRSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389268644 355943390 /nfs/dbraw/zinc/94/33/90/355943390.db2.gz QLQSWMPSOJTNMT-KFWWJZLASA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389268644 355943394 /nfs/dbraw/zinc/94/33/94/355943394.db2.gz QLQSWMPSOJTNMT-KFWWJZLASA-N 2 2 236.403 2.639 10 0 BFAELP c1cn(C[C@@H]2CCC[N@@H+]2CC2CCCCC2)c[nH+]1 ZINC000136080217 358861734 /nfs/dbraw/zinc/86/17/34/358861734.db2.gz FWJFXBGTINBCTH-HNNXBMFYSA-N 2 2 247.386 2.928 10 0 BFAELP c1cn(C[C@@H]2CCC[N@H+]2CC2CCCCC2)c[nH+]1 ZINC000136080217 358861738 /nfs/dbraw/zinc/86/17/38/358861738.db2.gz FWJFXBGTINBCTH-HNNXBMFYSA-N 2 2 247.386 2.928 10 0 BFAELP C[NH2+][C@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000054077047 359401312 /nfs/dbraw/zinc/40/13/12/359401312.db2.gz HWEWRWHGMKJPIE-CYBMUJFWSA-N 2 2 220.360 2.505 10 0 BFAELP C[NH2+][C@H](C)C[N@@H+](Cc1ccccc1)C(C)C ZINC000054077047 359401314 /nfs/dbraw/zinc/40/13/14/359401314.db2.gz HWEWRWHGMKJPIE-CYBMUJFWSA-N 2 2 220.360 2.505 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000089576831 360027098 /nfs/dbraw/zinc/02/70/98/360027098.db2.gz GFPGRYNKMHMULF-NRXISQOPSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000089576831 360027103 /nfs/dbraw/zinc/02/71/03/360027103.db2.gz GFPGRYNKMHMULF-NRXISQOPSA-N 2 2 238.419 2.887 10 0 BFAELP CCn1c[nH+]cc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000090170581 360061377 /nfs/dbraw/zinc/06/13/77/360061377.db2.gz LUJHQNKIQITYKB-NSHDSACASA-N 2 2 233.315 2.655 10 0 BFAELP C[C@@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000091960382 360138882 /nfs/dbraw/zinc/13/88/82/360138882.db2.gz QSHXUTCMOWJVKB-OLZOCXBDSA-N 2 2 235.375 2.812 10 0 BFAELP C[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000091960382 360138884 /nfs/dbraw/zinc/13/88/84/360138884.db2.gz QSHXUTCMOWJVKB-OLZOCXBDSA-N 2 2 235.375 2.812 10 0 BFAELP [NH3+]CC1([NH+]2CCCCC2)CCCCCCC1 ZINC000019807841 181360117 /nfs/dbraw/zinc/36/01/17/181360117.db2.gz DMXZDCFCQGYJCM-UHFFFAOYSA-N 2 2 224.392 2.914 10 0 BFAELP Cl/C=C/C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000135217414 364431655 /nfs/dbraw/zinc/43/16/55/364431655.db2.gz BQEZZFPEKMINMB-FPYGCLRLSA-N 2 2 242.794 2.736 10 0 BFAELP CCCC[N@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000019270112 168784147 /nfs/dbraw/zinc/78/41/47/168784147.db2.gz ISYMXJOOZRSRIZ-CQSZACIVSA-N 2 2 220.360 2.727 10 0 BFAELP CCCC[N@@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000019270112 168784148 /nfs/dbraw/zinc/78/41/48/168784148.db2.gz ISYMXJOOZRSRIZ-CQSZACIVSA-N 2 2 220.360 2.727 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CCCC1 ZINC000382808284 367558894 /nfs/dbraw/zinc/55/88/94/367558894.db2.gz HHKMVFJGXVNBFD-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000382808284 367558897 /nfs/dbraw/zinc/55/88/97/367558897.db2.gz HHKMVFJGXVNBFD-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CCCC1 ZINC000382808281 367559213 /nfs/dbraw/zinc/55/92/13/367559213.db2.gz HHKMVFJGXVNBFD-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000382808281 367559216 /nfs/dbraw/zinc/55/92/16/367559216.db2.gz HHKMVFJGXVNBFD-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[N@H+](C)[C@@H](c1cccc(F)c1)[C@H]([NH3+])CC ZINC000042971336 169087417 /nfs/dbraw/zinc/08/74/17/169087417.db2.gz FEFHNWGDGUCXII-KGLIPLIRSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](C)[C@@H](c1cccc(F)c1)[C@H]([NH3+])CC ZINC000042971336 169087420 /nfs/dbraw/zinc/08/74/20/169087420.db2.gz FEFHNWGDGUCXII-KGLIPLIRSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccccc1 ZINC000038916554 169150902 /nfs/dbraw/zinc/15/09/02/169150902.db2.gz WCDPWMDVGAGTFD-AWEZNQCLSA-N 2 2 220.360 2.808 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000022214700 169151068 /nfs/dbraw/zinc/15/10/68/169151068.db2.gz SRNJDDKURFMLKD-AWEZNQCLSA-N 2 2 238.350 2.948 10 0 BFAELP CCC[NH2+]CCOc1cc(C)[nH+]c2ccccc21 ZINC000051869271 169260381 /nfs/dbraw/zinc/26/03/81/169260381.db2.gz IQUQRYSRBUGLHY-UHFFFAOYSA-N 2 2 244.338 2.922 10 0 BFAELP c1[nH+]cn(C[C@@H]2CCC[NH2+]C2)c1-c1ccccc1 ZINC000082657144 183380691 /nfs/dbraw/zinc/38/06/91/183380691.db2.gz QIXKBEDQFPXJNN-CYBMUJFWSA-N 2 2 241.338 2.550 10 0 BFAELP CCC[NH2+][C@H](C)Cn1c(C)[nH+]c2ccccc21 ZINC000043996029 169286342 /nfs/dbraw/zinc/28/63/42/169286342.db2.gz SMHKWQLYOUFDRL-LLVKDONJSA-N 2 2 231.343 2.733 10 0 BFAELP CCC[NH2+][C@H](CCC)C[NH+]1CCCCC1 ZINC000050184506 169288790 /nfs/dbraw/zinc/28/87/90/169288790.db2.gz SDTVDZOANRCNJY-CYBMUJFWSA-N 2 2 212.381 2.641 10 0 BFAELP CCC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)CC ZINC000051439607 169266034 /nfs/dbraw/zinc/26/60/34/169266034.db2.gz DTJVOIAKJQITTQ-UHFFFAOYSA-N 2 2 235.375 2.654 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000035586663 169279034 /nfs/dbraw/zinc/27/90/34/169279034.db2.gz SWCXWKAKCCCZLI-AWEZNQCLSA-N 2 2 243.354 2.563 10 0 BFAELP CCC[NH2+][C@H]1CCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050911108 169292002 /nfs/dbraw/zinc/29/20/02/169292002.db2.gz QNPUUZRYRQHCAR-JKSUJKDBSA-N 2 2 244.382 2.923 10 0 BFAELP CCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](CC)CCOCC ZINC000104194403 169369786 /nfs/dbraw/zinc/36/97/86/169369786.db2.gz UZTZSWZZTMPWQF-ZIAGYGMSSA-N 2 2 244.423 2.512 10 0 BFAELP CCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](CC)CCOCC ZINC000104194403 169369787 /nfs/dbraw/zinc/36/97/87/169369787.db2.gz UZTZSWZZTMPWQF-ZIAGYGMSSA-N 2 2 244.423 2.512 10 0 BFAELP CCC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000366208174 169370015 /nfs/dbraw/zinc/37/00/15/169370015.db2.gz GOBGJIRHSONTIH-NEPJUHHUSA-N 2 2 221.348 2.539 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000310034913 384595577 /nfs/dbraw/zinc/59/55/77/384595577.db2.gz SSJGXYVSNPGFKS-ZIAGYGMSSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000310034913 384595585 /nfs/dbraw/zinc/59/55/85/384595585.db2.gz SSJGXYVSNPGFKS-ZIAGYGMSSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)(C)C ZINC000310016732 384797436 /nfs/dbraw/zinc/79/74/36/384797436.db2.gz LEOSALFFZLVPEQ-AAEUAGOBSA-N 2 2 226.408 2.883 10 0 BFAELP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)(C)C ZINC000310016732 384797441 /nfs/dbraw/zinc/79/74/41/384797441.db2.gz LEOSALFFZLVPEQ-AAEUAGOBSA-N 2 2 226.408 2.883 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000310041230 384809572 /nfs/dbraw/zinc/80/95/72/384809572.db2.gz YKHPXIQXDRRDMC-KGLIPLIRSA-N 2 2 224.392 2.641 10 0 BFAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c(C)c1 ZINC000054765035 384854000 /nfs/dbraw/zinc/85/40/00/384854000.db2.gz VWGLPLDAOQRFNQ-LBPRGKRZSA-N 2 2 229.327 2.877 10 0 BFAELP CC[N@H+](CCCCC[NH3+])c1ccccc1 ZINC000049580605 384890574 /nfs/dbraw/zinc/89/05/74/384890574.db2.gz YBLHTYHTZPKJFT-UHFFFAOYSA-N 2 2 206.333 2.642 10 0 BFAELP CC[N@@H+](CCCCC[NH3+])c1ccccc1 ZINC000049580605 384890583 /nfs/dbraw/zinc/89/05/83/384890583.db2.gz YBLHTYHTZPKJFT-UHFFFAOYSA-N 2 2 206.333 2.642 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000414317415 386119192 /nfs/dbraw/zinc/11/91/92/386119192.db2.gz ACPJUVVCNYOPHI-HUUCEWRRSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000414317415 386119196 /nfs/dbraw/zinc/11/91/96/386119196.db2.gz ACPJUVVCNYOPHI-HUUCEWRRSA-N 2 2 236.403 2.639 10 0 BFAELP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021961853 386088514 /nfs/dbraw/zinc/08/85/14/386088514.db2.gz ZVXHRKYFCOCATI-CHWSQXEVSA-N 2 2 226.408 2.743 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc(F)c1 ZINC000396555680 386773940 /nfs/dbraw/zinc/77/39/40/386773940.db2.gz GISFWSGJGHRADO-WDMOLILDSA-N 2 2 236.334 2.617 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000396582279 386779451 /nfs/dbraw/zinc/77/94/51/386779451.db2.gz PSJSJXLXILVBGG-HOSYDEDBSA-N 2 2 224.373 2.539 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)s1 ZINC000396595206 386783368 /nfs/dbraw/zinc/78/33/68/386783368.db2.gz FDOOCPFZMGZCOW-SRVKXCTJSA-N 2 2 238.400 2.848 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000085099158 388084025 /nfs/dbraw/zinc/08/40/25/388084025.db2.gz DDSFIJGMNBRCKF-ZQDZILKHSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000085099158 388084027 /nfs/dbraw/zinc/08/40/27/388084027.db2.gz DDSFIJGMNBRCKF-ZQDZILKHSA-N 2 2 238.419 2.885 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397861223 388507482 /nfs/dbraw/zinc/50/74/82/388507482.db2.gz VCLIWUQXSTYXMR-MGPQQGTHSA-N 2 2 240.435 2.987 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000247940553 388670455 /nfs/dbraw/zinc/67/04/55/388670455.db2.gz CYYKLSOZIHMJDI-UMVBOHGHSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000247940553 388670457 /nfs/dbraw/zinc/67/04/57/388670457.db2.gz CYYKLSOZIHMJDI-UMVBOHGHSA-N 2 2 238.419 2.883 10 0 BFAELP [NH3+]Cc1cc(N2CC[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000051397084 132360372 /nfs/dbraw/zinc/36/03/72/132360372.db2.gz DXNBAGDXVRYASO-CHWSQXEVSA-N 2 2 245.370 2.557 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C1 ZINC000070761867 135011645 /nfs/dbraw/zinc/01/16/45/135011645.db2.gz RORHHYHIVWAPFO-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000070761867 135011646 /nfs/dbraw/zinc/01/16/46/135011646.db2.gz RORHHYHIVWAPFO-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261544179 135185097 /nfs/dbraw/zinc/18/50/97/135185097.db2.gz XMFGNCXIHYIOGD-ZFWWWQNUSA-N 2 2 232.371 2.554 10 0 BFAELP Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261544179 135185098 /nfs/dbraw/zinc/18/50/98/135185098.db2.gz XMFGNCXIHYIOGD-ZFWWWQNUSA-N 2 2 232.371 2.554 10 0 BFAELP CCC(CC)(CC)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000262033444 135274883 /nfs/dbraw/zinc/27/48/83/135274883.db2.gz OHMVOBPPVRAQLE-CYBMUJFWSA-N 2 2 226.408 2.887 10 0 BFAELP CCC(CC)(CC)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000262033444 135274885 /nfs/dbraw/zinc/27/48/85/135274885.db2.gz OHMVOBPPVRAQLE-CYBMUJFWSA-N 2 2 226.408 2.887 10 0 BFAELP C[NH+](C)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000092849101 135586136 /nfs/dbraw/zinc/58/61/36/135586136.db2.gz HFENIUQDUQRGJM-VHSXEESVSA-N 2 2 242.750 2.505 10 0 BFAELP C[C@H](CCC[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000094948067 135622507 /nfs/dbraw/zinc/62/25/07/135622507.db2.gz GARCJJAUGKUKEV-LLVKDONJSA-N 2 2 229.327 2.774 10 0 BFAELP C[C@@H]([NH3+])C[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000228268453 487601410 /nfs/dbraw/zinc/60/14/10/487601410.db2.gz FSFBARGFVDUZCB-MNOVXSKESA-N 2 2 229.327 2.773 10 0 BFAELP C[C@@H]([NH3+])C[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228268270 487601481 /nfs/dbraw/zinc/60/14/81/487601481.db2.gz FVJKMCROIXCGLT-HTQZYQBOSA-N 2 2 247.264 2.638 10 0 BFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104409545 167004200 /nfs/dbraw/zinc/00/42/00/167004200.db2.gz OYXIMUSRWWZPIY-KKUMJFAQSA-N 2 2 240.435 2.844 10 0 BFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104409545 167004203 /nfs/dbraw/zinc/00/42/03/167004203.db2.gz OYXIMUSRWWZPIY-KKUMJFAQSA-N 2 2 240.435 2.844 10 0 BFAELP CC(C)C[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000371390438 167010550 /nfs/dbraw/zinc/01/05/50/167010550.db2.gz WKJVKQRFQWOXQD-UHFFFAOYSA-N 2 2 243.354 2.833 10 0 BFAELP CC(C)[NH2+]CCCCc1ccc2c(c1)[nH+]cn2C ZINC000077400237 167103001 /nfs/dbraw/zinc/10/30/01/167103001.db2.gz WETMORQMAFTVHX-UHFFFAOYSA-N 2 2 245.370 2.894 10 0 BFAELP CC(C)Oc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000032497103 167299854 /nfs/dbraw/zinc/29/98/54/167299854.db2.gz QMZNTYXGJAESQK-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000049195856 167395254 /nfs/dbraw/zinc/39/52/54/167395254.db2.gz SVPXBXXRPBFCTH-JKSUJKDBSA-N 2 2 246.398 2.850 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000049195517 167395796 /nfs/dbraw/zinc/39/57/96/167395796.db2.gz MOYQOTLGPUGCNX-DZGCQCFKSA-N 2 2 234.387 2.923 10 0 BFAELP Cc1cnc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000397547451 410927213 /nfs/dbraw/zinc/92/72/13/410927213.db2.gz VTQVTNFOZWZWBD-LBPRGKRZSA-N 2 2 245.326 2.580 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401770784 411170879 /nfs/dbraw/zinc/17/08/79/411170879.db2.gz JIIVRHFKTLYVTA-KWCYVHTRSA-N 2 2 232.371 2.644 10 0 BFAELP CC1CC[NH+](C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071360 168182743 /nfs/dbraw/zinc/18/27/43/168182743.db2.gz UBJKPKJUQQZTGU-KFWWJZLASA-N 2 2 236.403 2.639 10 0 BFAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccs1 ZINC000657291014 411452259 /nfs/dbraw/zinc/45/22/59/411452259.db2.gz OBIBRGGZYAFVEK-SNVBAGLBSA-N 2 2 247.367 2.742 10 0 BFAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)o1 ZINC000657292316 411453186 /nfs/dbraw/zinc/45/31/86/411453186.db2.gz MCPOWONHSGPUEU-NSHDSACASA-N 2 2 245.326 2.582 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000336891338 170022105 /nfs/dbraw/zinc/02/21/05/170022105.db2.gz IHKFYNCZIDTPAF-YPMHNXCESA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000336891338 170022106 /nfs/dbraw/zinc/02/21/06/170022106.db2.gz IHKFYNCZIDTPAF-YPMHNXCESA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cccs2)[C@@H](C)C1 ZINC000309983070 170037372 /nfs/dbraw/zinc/03/73/72/170037372.db2.gz XCDCSWHABXILFI-TUAOUCFPSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cccs2)[C@@H](C)C1 ZINC000309983070 170037373 /nfs/dbraw/zinc/03/73/73/170037373.db2.gz XCDCSWHABXILFI-TUAOUCFPSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000309674127 170038701 /nfs/dbraw/zinc/03/87/01/170038701.db2.gz XCDCSWHABXILFI-SDDRHHMPSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000309674127 170038702 /nfs/dbraw/zinc/03/87/02/170038702.db2.gz XCDCSWHABXILFI-SDDRHHMPSA-N 2 2 238.400 2.739 10 0 BFAELP CC[NH2+]C(C)(C)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000061299634 170107703 /nfs/dbraw/zinc/10/77/03/170107703.db2.gz XTXZZHBSALBETD-RYUDHWBXSA-N 2 2 212.381 2.637 10 0 BFAELP CC[NH2+]C[C@@](C)(CC)C[N@H+](C)Cc1cccnc1 ZINC000051217685 170121125 /nfs/dbraw/zinc/12/11/25/170121125.db2.gz VMGGSJIECPJFQL-OAHLLOKOSA-N 2 2 249.402 2.539 10 0 BFAELP CC[NH2+]C[C@@](C)(CC)C[N@@H+](C)Cc1cccnc1 ZINC000051217685 170121126 /nfs/dbraw/zinc/12/11/26/170121126.db2.gz VMGGSJIECPJFQL-OAHLLOKOSA-N 2 2 249.402 2.539 10 0 BFAELP CC[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000019905988 170122646 /nfs/dbraw/zinc/12/26/46/170122646.db2.gz JYEWLUWVSXQXKJ-CQSZACIVSA-N 2 2 220.360 2.679 10 0 BFAELP CC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CCC(C)C ZINC000082647080 170140972 /nfs/dbraw/zinc/14/09/72/170140972.db2.gz JQXWNNOIXSDQBT-UONOGXRCSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CCC(C)C ZINC000082647080 170140973 /nfs/dbraw/zinc/14/09/73/170140973.db2.gz JQXWNNOIXSDQBT-UONOGXRCSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000053827964 170146316 /nfs/dbraw/zinc/14/63/16/170146316.db2.gz LWCSDNIKVZKONL-AWEZNQCLSA-N 2 2 248.370 2.638 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(C)ccc1C ZINC000035570186 170146479 /nfs/dbraw/zinc/14/64/79/170146479.db2.gz MPAIVEWVNKWQGJ-AWEZNQCLSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(CC)cc1 ZINC000035570180 170146880 /nfs/dbraw/zinc/14/68/80/170146880.db2.gz KNTIVBJDFLUJIE-AWEZNQCLSA-N 2 2 243.354 2.865 10 0 BFAELP CC[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819860 170150639 /nfs/dbraw/zinc/15/06/39/170150639.db2.gz WXNJTSPLCSFTAD-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccco2)C[C@@H]1C ZINC000049711175 170152931 /nfs/dbraw/zinc/15/29/31/170152931.db2.gz CIZPOBSUIXNWSO-RWMBFGLXSA-N 2 2 236.359 2.661 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccco2)C[C@@H]1C ZINC000049711175 170152932 /nfs/dbraw/zinc/15/29/32/170152932.db2.gz CIZPOBSUIXNWSO-RWMBFGLXSA-N 2 2 236.359 2.661 10 0 BFAELP CC[NH2+][C@H](C)c1cc(F)ccc1-n1cc[nH+]c1 ZINC000034663895 170159238 /nfs/dbraw/zinc/15/92/38/170159238.db2.gz RRPCTUROSRRQOF-SNVBAGLBSA-N 2 2 233.290 2.682 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)CC1CCCCC1 ZINC000035570137 170162926 /nfs/dbraw/zinc/16/29/26/170162926.db2.gz LFMPWBLSYCVNHF-ZDUSSCGKSA-N 2 2 235.375 2.901 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(C)c1 ZINC000035570499 170163382 /nfs/dbraw/zinc/16/33/82/170163382.db2.gz ZKYPURXRESIYEH-CQSZACIVSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(C)ccc1C ZINC000035570188 170163583 /nfs/dbraw/zinc/16/35/83/170163583.db2.gz MPAIVEWVNKWQGJ-CQSZACIVSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@H]1CCCCCC[C@H]1n1cc[nH+]c1 ZINC000043992917 170165837 /nfs/dbraw/zinc/16/58/37/170165837.db2.gz YLTPYSSKPLTECW-QWHCGFSZSA-N 2 2 221.348 2.757 10 0 BFAELP CC[NH2+][C@H]1CCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819863 170166890 /nfs/dbraw/zinc/16/68/90/170166890.db2.gz WXNJTSPLCSFTAD-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H](C)[NH2+]c1ccc(OCC[NH+](C)C)cc1 ZINC000037774309 171349798 /nfs/dbraw/zinc/34/97/98/171349798.db2.gz UHPZDZFDUDMXLH-LBPRGKRZSA-N 2 2 236.359 2.837 10 0 BFAELP CCc1[nH+]c2ccccc2n1C[C@@H]([NH3+])C(C)(C)C ZINC000062807612 172013330 /nfs/dbraw/zinc/01/33/30/172013330.db2.gz YBRVFZVYWJOLDI-CYBMUJFWSA-N 2 2 245.370 2.972 10 0 BFAELP CCn1c[nH+]c2cc(CCC[NH2+]C(C)C)ccc21 ZINC000107292597 172232022 /nfs/dbraw/zinc/23/20/22/172232022.db2.gz GTPGUCHVEFJQLX-UHFFFAOYSA-N 2 2 245.370 2.987 10 0 BFAELP C[NH2+]CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1C ZINC000077425344 173353100 /nfs/dbraw/zinc/35/31/00/173353100.db2.gz HWOWNWHHWIWTQO-UHFFFAOYSA-N 2 2 248.414 2.944 10 0 BFAELP C[NH2+]CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1C ZINC000077425344 173353101 /nfs/dbraw/zinc/35/31/01/173353101.db2.gz HWOWNWHHWIWTQO-UHFFFAOYSA-N 2 2 248.414 2.944 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)[C@H](C)C(C)C ZINC000051445159 173384442 /nfs/dbraw/zinc/38/44/42/173384442.db2.gz DETPTZZSPSBYBY-CYBMUJFWSA-N 2 2 249.402 2.899 10 0 BFAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2C)cc1 ZINC000042961335 175181604 /nfs/dbraw/zinc/18/16/04/175181604.db2.gz LKKRDLBFZPCLHG-YWPYICTPSA-N 2 2 248.370 2.568 10 0 BFAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2C)cc1 ZINC000042961335 175181605 /nfs/dbraw/zinc/18/16/05/175181605.db2.gz LKKRDLBFZPCLHG-YWPYICTPSA-N 2 2 248.370 2.568 10 0 BFAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043096743 175348192 /nfs/dbraw/zinc/34/81/92/175348192.db2.gz ZSJSGYGWRHQFKL-IUODEOHRSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@@H](c1ccc(Cl)s1)[NH+]1CCC([NH3+])CC1 ZINC000035286455 176013897 /nfs/dbraw/zinc/01/38/97/176013897.db2.gz YQPKRWJLFXUESJ-QMMMGPOBSA-N 2 2 244.791 2.886 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)CC2CCC2)C1 ZINC000061455494 176134333 /nfs/dbraw/zinc/13/43/33/176134333.db2.gz BGHVYERUJDYCBM-TZMCWYRMSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)CC2CCC2)C1 ZINC000061455494 176134334 /nfs/dbraw/zinc/13/43/34/176134334.db2.gz BGHVYERUJDYCBM-TZMCWYRMSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000042972250 176179942 /nfs/dbraw/zinc/17/99/42/176179942.db2.gz YQWRHXFKFHOAHC-JTNHKYCSSA-N 2 2 236.334 2.556 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C)C1 ZINC000042972250 176179944 /nfs/dbraw/zinc/17/99/44/176179944.db2.gz YQWRHXFKFHOAHC-JTNHKYCSSA-N 2 2 236.334 2.556 10 0 BFAELP C[C@H](c1ccsc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000050345212 177051070 /nfs/dbraw/zinc/05/10/70/177051070.db2.gz KIFSXKIGXGJXKP-ZYHUDNBSSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H](c1ccsc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000050345212 177051071 /nfs/dbraw/zinc/05/10/71/177051071.db2.gz KIFSXKIGXGJXKP-ZYHUDNBSSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)CC2CC2)C1 ZINC000037925343 177063678 /nfs/dbraw/zinc/06/36/78/177063678.db2.gz LVRPBWIBNHNQJW-WFASDCNBSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)CC2CC2)C1 ZINC000037925343 177063679 /nfs/dbraw/zinc/06/36/79/177063679.db2.gz LVRPBWIBNHNQJW-WFASDCNBSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000019261372 177078505 /nfs/dbraw/zinc/07/85/05/177078505.db2.gz YTDBBQZDRHNQMH-FZMZJTMJSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000019261372 177078506 /nfs/dbraw/zinc/07/85/06/177078506.db2.gz YTDBBQZDRHNQMH-FZMZJTMJSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000023066571 177079089 /nfs/dbraw/zinc/07/90/89/177079089.db2.gz TXWVOKHNIWJXBF-RWMBFGLXSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000023066571 177079091 /nfs/dbraw/zinc/07/90/91/177079091.db2.gz TXWVOKHNIWJXBF-RWMBFGLXSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)CC2CCC2)C1 ZINC000061455496 177127485 /nfs/dbraw/zinc/12/74/85/177127485.db2.gz BGHVYERUJDYCBM-GXTWGEPZSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)CC2CCC2)C1 ZINC000061455496 177127486 /nfs/dbraw/zinc/12/74/86/177127486.db2.gz BGHVYERUJDYCBM-GXTWGEPZSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccco2)C1 ZINC000035126776 177143606 /nfs/dbraw/zinc/14/36/06/177143606.db2.gz HOUXRASABSNIFH-JSGCOSHPSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccco2)C1 ZINC000035126776 177143608 /nfs/dbraw/zinc/14/36/08/177143608.db2.gz HOUXRASABSNIFH-JSGCOSHPSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@H+]1C1(C[NH3+])CCCCC1 ZINC000051730530 177156941 /nfs/dbraw/zinc/15/69/41/177156941.db2.gz GSCHBAPJKOEPOL-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1(C[NH3+])CCCCC1 ZINC000051730530 177156943 /nfs/dbraw/zinc/15/69/43/177156943.db2.gz GSCHBAPJKOEPOL-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022217583 177358860 /nfs/dbraw/zinc/35/88/60/177358860.db2.gz LMLUQUPBINJHET-GVXVVHGQSA-N 2 2 238.400 2.726 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400347256 225040057 /nfs/dbraw/zinc/04/00/57/225040057.db2.gz AKYPURBDSGCVTO-GUTXKFCHSA-N 2 2 232.371 2.786 10 0 BFAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000396703127 262820042 /nfs/dbraw/zinc/82/00/42/262820042.db2.gz VCRZOPHNGQFZHG-RCBQFDQVSA-N 2 2 244.382 2.868 10 0 BFAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000396703130 262820130 /nfs/dbraw/zinc/82/01/30/262820130.db2.gz VCRZOPHNGQFZHG-VBNZEHGJSA-N 2 2 244.382 2.868 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000675761744 487776135 /nfs/dbraw/zinc/77/61/35/487776135.db2.gz IYGMHRSETQJIJI-YCPHGPKFSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000675761744 487776138 /nfs/dbraw/zinc/77/61/38/487776138.db2.gz IYGMHRSETQJIJI-YCPHGPKFSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1C ZINC000675788787 487779488 /nfs/dbraw/zinc/77/94/88/487779488.db2.gz MDXBVYLAOFEBOZ-OFQRWUPVSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1C ZINC000675788787 487779490 /nfs/dbraw/zinc/77/94/90/487779490.db2.gz MDXBVYLAOFEBOZ-OFQRWUPVSA-N 2 2 246.398 2.904 10 0 BFAELP CC[NH2+]CCCNc1[nH+]c2ccccc2cc1C ZINC000063106296 323099211 /nfs/dbraw/zinc/09/92/11/323099211.db2.gz USLJKRLOPRTOMO-UHFFFAOYSA-N 2 2 243.354 2.955 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325045738 323308954 /nfs/dbraw/zinc/30/89/54/323308954.db2.gz NXLRGOBHSQLZJN-CQSZACIVSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325045738 323308958 /nfs/dbraw/zinc/30/89/58/323308958.db2.gz NXLRGOBHSQLZJN-CQSZACIVSA-N 2 2 236.403 2.639 10 0 BFAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000136080891 491052747 /nfs/dbraw/zinc/05/27/47/491052747.db2.gz MXJZHUDEFMMXNM-OAHLLOKOSA-N 2 2 241.338 2.548 10 0 BFAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000136080891 491052749 /nfs/dbraw/zinc/05/27/49/491052749.db2.gz MXJZHUDEFMMXNM-OAHLLOKOSA-N 2 2 241.338 2.548 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771252 535540520 /nfs/dbraw/zinc/54/05/20/535540520.db2.gz GZQONRSTKZOVHO-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771252 535540526 /nfs/dbraw/zinc/54/05/26/535540526.db2.gz GZQONRSTKZOVHO-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCCC[C@H]1C ZINC000051399427 536469199 /nfs/dbraw/zinc/46/91/99/536469199.db2.gz GHUCFKUKPBULOV-CYBMUJFWSA-N 2 2 247.386 2.797 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000249615217 535541619 /nfs/dbraw/zinc/54/16/19/535541619.db2.gz WRCDBUWYFUEFTH-ZBFHGGJFSA-N 2 2 244.382 2.748 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000249615217 535541623 /nfs/dbraw/zinc/54/16/23/535541623.db2.gz WRCDBUWYFUEFTH-ZBFHGGJFSA-N 2 2 244.382 2.748 10 0 BFAELP C(C[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1)C1CCC1 ZINC000757126577 582501462 /nfs/dbraw/zinc/50/14/62/582501462.db2.gz GESZKYGTVBSJIS-INIZCTEOSA-N 2 2 248.414 2.737 10 0 BFAELP C(C[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1)C1CCC1 ZINC000757126577 582501463 /nfs/dbraw/zinc/50/14/63/582501463.db2.gz GESZKYGTVBSJIS-INIZCTEOSA-N 2 2 248.414 2.737 10 0 BFAELP CCC1(C)CC[NH+]([C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396598587 583085386 /nfs/dbraw/zinc/08/53/86/583085386.db2.gz GHUMNWBFHYXLNO-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cscc2C(F)F)[NH2+]1 ZINC000757235842 586443554 /nfs/dbraw/zinc/44/35/54/586443554.db2.gz MXJKCPDUMJTYMB-UASFKTIASA-N 2 2 246.326 2.826 10 0 BFAELP C[C@@H]1CC[NH2+][C@@H](c2cscc2C(F)F)[C@H]1[NH3+] ZINC000757236227 586443754 /nfs/dbraw/zinc/44/37/54/586443754.db2.gz NPXUKCMINMYJPO-UASFKTIASA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H]1[NH2+][C@H](c2cscc2C(F)F)CC[C@H]1[NH3+] ZINC000757241718 644865161 /nfs/dbraw/zinc/86/51/61/644865161.db2.gz XVCGTQCIPZELQY-QUNWWBBNSA-N 2 2 246.326 2.826 10 0 BFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCc1ccccc1 ZINC000037166765 712549869 /nfs/dbraw/zinc/54/98/69/712549869.db2.gz XEEKZRBAHJZDRT-INIZCTEOSA-N 2 2 248.414 2.795 10 0 BFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000050578458 178092076 /nfs/dbraw/zinc/09/20/76/178092076.db2.gz SXNLFHCJPNAZRU-AWEZNQCLSA-N 2 2 238.350 2.722 10 0 BFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)CC(C)C ZINC000050578458 178092079 /nfs/dbraw/zinc/09/20/79/178092079.db2.gz SXNLFHCJPNAZRU-AWEZNQCLSA-N 2 2 238.350 2.722 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@H](C[NH+](C)C)C(C)C ZINC000049194682 178107364 /nfs/dbraw/zinc/10/73/64/178107364.db2.gz JXPNKTHJOLLJIB-CQSZACIVSA-N 2 2 235.375 2.575 10 0 BFAELP Cc1cc([C@H](C[NH3+])[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC000049687392 178261252 /nfs/dbraw/zinc/26/12/52/178261252.db2.gz UYGWOUHHIFIAOG-ZANVPECISA-N 2 2 238.400 2.707 10 0 BFAELP Cc1cc([C@H](C[NH3+])[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC000049687392 178261253 /nfs/dbraw/zinc/26/12/53/178261253.db2.gz UYGWOUHHIFIAOG-ZANVPECISA-N 2 2 238.400 2.707 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000381706657 539005948 /nfs/dbraw/zinc/00/59/48/539005948.db2.gz JKBMNBWFKUGYMY-RDBSUJKOSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000381706657 539005949 /nfs/dbraw/zinc/00/59/49/539005949.db2.gz JKBMNBWFKUGYMY-RDBSUJKOSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccsc2)[C@@H](C)C1 ZINC000381656293 539006104 /nfs/dbraw/zinc/00/61/04/539006104.db2.gz FIGWMCQYEIEZPB-GVXVVHGQSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccsc2)[C@@H](C)C1 ZINC000381656293 539006106 /nfs/dbraw/zinc/00/61/06/539006106.db2.gz FIGWMCQYEIEZPB-GVXVVHGQSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000040502111 346901974 /nfs/dbraw/zinc/90/19/74/346901974.db2.gz IWUNFLXRZUORRW-AWEZNQCLSA-N 2 2 224.392 2.641 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000040502111 346901976 /nfs/dbraw/zinc/90/19/76/346901976.db2.gz IWUNFLXRZUORRW-AWEZNQCLSA-N 2 2 224.392 2.641 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000151744116 323025778 /nfs/dbraw/zinc/02/57/78/323025778.db2.gz HZJYUGWURXYZEC-ILXRZTDVSA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000151744116 323025779 /nfs/dbraw/zinc/02/57/79/323025779.db2.gz HZJYUGWURXYZEC-ILXRZTDVSA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)(C)Sc1ccccc1[C@H]([NH3+])C[NH3+] ZINC000072201143 343069646 /nfs/dbraw/zinc/06/96/46/343069646.db2.gz GELCNGCCXOCQTM-SNVBAGLBSA-N 2 2 224.373 2.536 10 0 BFAELP Cc1cc2ccccc2[nH+]c1N[C@H](C)CC[NH3+] ZINC000134275687 343193886 /nfs/dbraw/zinc/19/38/86/343193886.db2.gz ZVEYAZGVNWSCGH-LLVKDONJSA-N 2 2 229.327 2.692 10 0 BFAELP Cc1cc(C)cc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)c1 ZINC000042321069 187265997 /nfs/dbraw/zinc/26/59/97/187265997.db2.gz KRNPPFQMZHRFLT-INIZCTEOSA-N 2 2 248.414 2.979 10 0 BFAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCC[C@@H](C)C2)C1 ZINC000054554640 187272533 /nfs/dbraw/zinc/27/25/33/187272533.db2.gz NOSMDOVEVMYAGZ-APIJFGDWSA-N 2 2 238.419 2.870 10 0 BFAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCC[C@@H](C)C2)C1 ZINC000054554640 187272535 /nfs/dbraw/zinc/27/25/35/187272535.db2.gz NOSMDOVEVMYAGZ-APIJFGDWSA-N 2 2 238.419 2.870 10 0 BFAELP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816621 344236607 /nfs/dbraw/zinc/23/66/07/344236607.db2.gz VCVBIOUCDPGCGJ-KGLIPLIRSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816621 344236608 /nfs/dbraw/zinc/23/66/08/344236608.db2.gz VCVBIOUCDPGCGJ-KGLIPLIRSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000132706569 344306887 /nfs/dbraw/zinc/30/68/87/344306887.db2.gz GUEMRIMLWBMCFP-STQMWFEESA-N 2 2 212.381 2.639 10 0 BFAELP CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000132706569 344306891 /nfs/dbraw/zinc/30/68/91/344306891.db2.gz GUEMRIMLWBMCFP-STQMWFEESA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171138954 187304242 /nfs/dbraw/zinc/30/42/42/187304242.db2.gz VQNQRXGFFCCUAY-ZDUSSCGKSA-N 2 2 233.359 2.616 10 0 BFAELP CCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171138954 187304244 /nfs/dbraw/zinc/30/42/44/187304244.db2.gz VQNQRXGFFCCUAY-ZDUSSCGKSA-N 2 2 233.359 2.616 10 0 BFAELP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1Cl ZINC000082328946 537969225 /nfs/dbraw/zinc/96/92/25/537969225.db2.gz NOMFBKJFUXAJSA-YPMHNXCESA-N 2 2 238.762 2.742 10 0 BFAELP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1Cl ZINC000082328946 537969231 /nfs/dbraw/zinc/96/92/31/537969231.db2.gz NOMFBKJFUXAJSA-YPMHNXCESA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc(Cl)cc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054788 537974708 /nfs/dbraw/zinc/97/47/08/537974708.db2.gz PHRLVOUBWNQNFF-STQMWFEESA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc(Cl)cc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054788 537974714 /nfs/dbraw/zinc/97/47/14/537974714.db2.gz PHRLVOUBWNQNFF-STQMWFEESA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)c1 ZINC000049195167 179097925 /nfs/dbraw/zinc/09/79/25/179097925.db2.gz NSDWEALPCBURET-HNNXBMFYSA-N 2 2 234.387 2.671 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358390558 179197563 /nfs/dbraw/zinc/19/75/63/179197563.db2.gz DSUYTFAGMHNIMD-IPYPFGDCSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358390558 179197564 /nfs/dbraw/zinc/19/75/64/179197564.db2.gz DSUYTFAGMHNIMD-IPYPFGDCSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358390560 179197802 /nfs/dbraw/zinc/19/78/02/179197802.db2.gz DSUYTFAGMHNIMD-KCQAQPDRSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358390560 179197805 /nfs/dbraw/zinc/19/78/05/179197805.db2.gz DSUYTFAGMHNIMD-KCQAQPDRSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1[nH]c2ccc(CCCC[NH2+]C3CC3)cc2[nH+]1 ZINC000077394312 180090100 /nfs/dbraw/zinc/09/01/00/180090100.db2.gz XLZKXNKBAPDIEE-UHFFFAOYSA-N 2 2 243.354 2.946 10 0 BFAELP Cc1[nH]c2cc(CCCC[NH2+]C3CC3)ccc2[nH+]1 ZINC000077394312 180090105 /nfs/dbraw/zinc/09/01/05/180090105.db2.gz XLZKXNKBAPDIEE-UHFFFAOYSA-N 2 2 243.354 2.946 10 0 BFAELP Cc1[nH+]cccc1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132166445 180228499 /nfs/dbraw/zinc/22/84/99/180228499.db2.gz IAZOZEOUVRVPPR-HIFRSBDPSA-N 2 2 239.322 2.947 10 0 BFAELP Cc1[nH+]cn(-c2ccc(F)cc2[C@@H](C)[NH3+])c1C ZINC000051927178 180284714 /nfs/dbraw/zinc/28/47/14/180284714.db2.gz MIQAUQFVNPEKEG-MRVPVSSYSA-N 2 2 233.290 2.648 10 0 BFAELP CC(C)[N@@H+]1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616601143 350781570 /nfs/dbraw/zinc/78/15/70/350781570.db2.gz KAZMPPWZJWXPGS-LBPRGKRZSA-N 2 2 233.359 2.642 10 0 BFAELP CC(C)[N@H+]1CCC[C@H](c2ccc[nH+]c2N)CC1 ZINC000616601143 350781573 /nfs/dbraw/zinc/78/15/73/350781573.db2.gz KAZMPPWZJWXPGS-LBPRGKRZSA-N 2 2 233.359 2.642 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000040502058 358493036 /nfs/dbraw/zinc/49/30/36/358493036.db2.gz HGSAGYNULMROEH-JXQTWKCFSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000040502058 358493042 /nfs/dbraw/zinc/49/30/42/358493042.db2.gz HGSAGYNULMROEH-JXQTWKCFSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000040501963 358492810 /nfs/dbraw/zinc/49/28/10/358492810.db2.gz LBGKYFPAQSMDNP-MJBXVCDLSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000040501963 358492811 /nfs/dbraw/zinc/49/28/11/358492811.db2.gz LBGKYFPAQSMDNP-MJBXVCDLSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000389271229 355939122 /nfs/dbraw/zinc/93/91/22/355939122.db2.gz RAYBTFJDZJYXOA-WCQYABFASA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000389271229 355939126 /nfs/dbraw/zinc/93/91/26/355939126.db2.gz RAYBTFJDZJYXOA-WCQYABFASA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000381703578 538468644 /nfs/dbraw/zinc/46/86/44/538468644.db2.gz IUHCLTKEOLKVHS-RWMBFGLXSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000381703578 538468647 /nfs/dbraw/zinc/46/86/47/538468647.db2.gz IUHCLTKEOLKVHS-RWMBFGLXSA-N 2 2 226.408 2.598 10 0 BFAELP CC(C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC000221660575 538566133 /nfs/dbraw/zinc/56/61/33/538566133.db2.gz AJHLCAGIEIMUIQ-UHFFFAOYSA-N 2 2 215.300 2.590 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321339909 357509961 /nfs/dbraw/zinc/50/99/61/357509961.db2.gz BABCEHNHTMQPNA-SYQHCUMBSA-N 2 2 226.408 2.597 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321339908 357510044 /nfs/dbraw/zinc/51/00/44/357510044.db2.gz BABCEHNHTMQPNA-REWJHTLYSA-N 2 2 226.408 2.597 10 0 BFAELP C[C@H]1CC[N@H+](CC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246799742 359165630 /nfs/dbraw/zinc/16/56/30/359165630.db2.gz QSHXUTCMOWJVKB-QWHCGFSZSA-N 2 2 235.375 2.812 10 0 BFAELP C[C@H]1CC[N@@H+](CC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246799742 359165634 /nfs/dbraw/zinc/16/56/34/359165634.db2.gz QSHXUTCMOWJVKB-QWHCGFSZSA-N 2 2 235.375 2.812 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000246879603 359172470 /nfs/dbraw/zinc/17/24/70/359172470.db2.gz DJRUQGSDGQLERH-CABCVRRESA-N 2 2 245.370 2.765 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000246879603 359172475 /nfs/dbraw/zinc/17/24/75/359172475.db2.gz DJRUQGSDGQLERH-CABCVRRESA-N 2 2 245.370 2.765 10 0 BFAELP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH+](C)C ZINC000035708313 359657621 /nfs/dbraw/zinc/65/76/21/359657621.db2.gz OKFNZCAHKQXSNY-HZSPNIEDSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)(C)C ZINC000091892568 360134026 /nfs/dbraw/zinc/13/40/26/360134026.db2.gz LFIWHQYTVNANMU-OLZOCXBDSA-N 2 2 224.392 2.591 10 0 BFAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)(C)C ZINC000091892568 360134027 /nfs/dbraw/zinc/13/40/27/360134027.db2.gz LFIWHQYTVNANMU-OLZOCXBDSA-N 2 2 224.392 2.591 10 0 BFAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000091892568 360134028 /nfs/dbraw/zinc/13/40/28/360134028.db2.gz LFIWHQYTVNANMU-OLZOCXBDSA-N 2 2 224.392 2.591 10 0 BFAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000091892568 360134029 /nfs/dbraw/zinc/13/40/29/360134029.db2.gz LFIWHQYTVNANMU-OLZOCXBDSA-N 2 2 224.392 2.591 10 0 BFAELP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000328227698 363862063 /nfs/dbraw/zinc/86/20/63/363862063.db2.gz CDZLKRSEOXIVBK-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000328227698 363862070 /nfs/dbraw/zinc/86/20/70/363862070.db2.gz CDZLKRSEOXIVBK-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP [NH3+]CC1CCC(c2[nH]c3ccc(F)cc3[nH+]2)CC1 ZINC000019737165 181363753 /nfs/dbraw/zinc/36/37/53/181363753.db2.gz VAWJGTDTWLTONX-UHFFFAOYSA-N 2 2 247.317 2.935 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CCCC1 ZINC000382808282 367559064 /nfs/dbraw/zinc/55/90/64/367559064.db2.gz HHKMVFJGXVNBFD-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000382808282 367559069 /nfs/dbraw/zinc/55/90/69/367559069.db2.gz HHKMVFJGXVNBFD-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CCCCc1ccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071545179 169023614 /nfs/dbraw/zinc/02/36/14/169023614.db2.gz OEGZEPPCXMCHBC-SWLSCSKDSA-N 2 2 234.387 2.979 10 0 BFAELP CCC[N@H+]([C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000037096943 169091917 /nfs/dbraw/zinc/09/19/17/169091917.db2.gz RPLHTHHUVVGJNI-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[N@@H+]([C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000037096943 169091919 /nfs/dbraw/zinc/09/19/19/169091919.db2.gz RPLHTHHUVVGJNI-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccsc1 ZINC000022167730 169150318 /nfs/dbraw/zinc/15/03/18/169150318.db2.gz YZVOXKVETAOHKB-LBPRGKRZSA-N 2 2 226.389 2.870 10 0 BFAELP CCC[NH+](CCC)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000023069745 169151085 /nfs/dbraw/zinc/15/10/85/169151085.db2.gz FNQLWPSIKOVTMT-CHWSQXEVSA-N 2 2 212.381 2.768 10 0 BFAELP CCC[N@H+](CC)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971308 169131962 /nfs/dbraw/zinc/13/19/62/169131962.db2.gz MSCUIEGMWXGZNF-BXUZGUMPSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](CC)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971308 169131963 /nfs/dbraw/zinc/13/19/63/169131963.db2.gz MSCUIEGMWXGZNF-BXUZGUMPSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000053648657 169262887 /nfs/dbraw/zinc/26/28/87/169262887.db2.gz PNQBYOLHNOPUNX-INIZCTEOSA-N 2 2 246.398 2.959 10 0 BFAELP CCC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1C ZINC000053648657 169262889 /nfs/dbraw/zinc/26/28/89/169262889.db2.gz PNQBYOLHNOPUNX-INIZCTEOSA-N 2 2 246.398 2.959 10 0 BFAELP CCC[NH2+][C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000037719616 169291767 /nfs/dbraw/zinc/29/17/67/169291767.db2.gz NDXBAVUVFMFHQP-INIZCTEOSA-N 2 2 246.398 2.693 10 0 BFAELP CCC[NH2+][C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000037719616 169291768 /nfs/dbraw/zinc/29/17/68/169291768.db2.gz NDXBAVUVFMFHQP-INIZCTEOSA-N 2 2 246.398 2.693 10 0 BFAELP CCCNc1ccc(Cn2cc[nH+]c2CC)c[nH+]1 ZINC000050830081 169295222 /nfs/dbraw/zinc/29/52/22/169295222.db2.gz WSPADTAOZGZXCX-UHFFFAOYSA-N 2 2 244.342 2.711 10 0 BFAELP CCCOc1cccc([C@@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000032022225 169326260 /nfs/dbraw/zinc/32/62/60/169326260.db2.gz BAKBJVRYECVMKA-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000083055431 384741859 /nfs/dbraw/zinc/74/18/59/384741859.db2.gz JXJRZRVLNAAYFK-UONOGXRCSA-N 2 2 226.408 2.741 10 0 BFAELP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)[C@@H]1C ZINC000311082017 385302623 /nfs/dbraw/zinc/30/26/23/385302623.db2.gz MDPCTSRFPLHNFG-VDERGJSUSA-N 2 2 246.398 2.923 10 0 BFAELP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021961857 386088833 /nfs/dbraw/zinc/08/88/33/386088833.db2.gz ZVXHRKYFCOCATI-OLZOCXBDSA-N 2 2 226.408 2.743 10 0 BFAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447249 386368952 /nfs/dbraw/zinc/36/89/52/386368952.db2.gz LRNYZPCFIMUBKG-JOYOIKCWSA-N 2 2 240.297 2.546 10 0 BFAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447249 386368954 /nfs/dbraw/zinc/36/89/54/386368954.db2.gz LRNYZPCFIMUBKG-JOYOIKCWSA-N 2 2 240.297 2.546 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396547604 386770641 /nfs/dbraw/zinc/77/06/41/386770641.db2.gz NPORIEYUPCMGRH-KCQAQPDRSA-N 2 2 232.371 2.786 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396520795 386770740 /nfs/dbraw/zinc/77/07/40/386770740.db2.gz CLEWLRZCPCXNNC-GZBFAFLISA-N 2 2 232.371 2.786 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000396595205 386785321 /nfs/dbraw/zinc/78/53/21/386785321.db2.gz FDOOCPFZMGZCOW-SDDRHHMPSA-N 2 2 238.400 2.848 10 0 BFAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000396703124 387486605 /nfs/dbraw/zinc/48/66/05/387486605.db2.gz VCRZOPHNGQFZHG-MAZHCROVSA-N 2 2 244.382 2.868 10 0 BFAELP C[C@@H](CCCC[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000336789780 387555063 /nfs/dbraw/zinc/55/50/63/387555063.db2.gz KANZVWRODZWSEY-LBPRGKRZSA-N 2 2 243.354 2.586 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000309494285 387809981 /nfs/dbraw/zinc/80/99/81/387809981.db2.gz XZGHLXLCABHRGD-UONOGXRCSA-N 2 2 222.376 2.559 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000309494285 387809985 /nfs/dbraw/zinc/80/99/85/387809985.db2.gz XZGHLXLCABHRGD-UONOGXRCSA-N 2 2 222.376 2.559 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000336723182 388468542 /nfs/dbraw/zinc/46/85/42/388468542.db2.gz DYKTXWNUZZQBGA-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000336723182 388468545 /nfs/dbraw/zinc/46/85/45/388468545.db2.gz DYKTXWNUZZQBGA-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000336723184 388469071 /nfs/dbraw/zinc/46/90/71/388469071.db2.gz DYKTXWNUZZQBGA-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000336723184 388469074 /nfs/dbraw/zinc/46/90/74/388469074.db2.gz DYKTXWNUZZQBGA-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)C)C1 ZINC000328174073 388581078 /nfs/dbraw/zinc/58/10/78/388581078.db2.gz KSOFKYNDAAMJLR-RRFJBIMHSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)C)C1 ZINC000328174073 388581080 /nfs/dbraw/zinc/58/10/80/388581080.db2.gz KSOFKYNDAAMJLR-RRFJBIMHSA-N 2 2 238.419 2.885 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000247940557 388671140 /nfs/dbraw/zinc/67/11/40/388671140.db2.gz CYYKLSOZIHMJDI-VNHYZAJKSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000247940557 388671141 /nfs/dbraw/zinc/67/11/41/388671141.db2.gz CYYKLSOZIHMJDI-VNHYZAJKSA-N 2 2 238.419 2.883 10 0 BFAELP CCC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166992 322826916 /nfs/dbraw/zinc/82/69/16/322826916.db2.gz XYZGMQADCYHFOD-STQMWFEESA-N 2 2 214.397 2.741 10 0 BFAELP Cc1ccc2c(c1)CCC[N@H+]2CCCCC(N)=[NH2+] ZINC000049579621 132356298 /nfs/dbraw/zinc/35/62/98/132356298.db2.gz HEDXZUSETWBBAY-UHFFFAOYSA-N 2 2 245.370 2.854 10 0 BFAELP Cc1ccc2c(c1)CCC[N@@H+]2CCCCC(N)=[NH2+] ZINC000049579621 132356299 /nfs/dbraw/zinc/35/62/99/132356299.db2.gz HEDXZUSETWBBAY-UHFFFAOYSA-N 2 2 245.370 2.854 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249106236 135033560 /nfs/dbraw/zinc/03/35/60/135033560.db2.gz QKAGHIWPHKCRPQ-KBPBESRZSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249106236 135033563 /nfs/dbraw/zinc/03/35/63/135033563.db2.gz QKAGHIWPHKCRPQ-KBPBESRZSA-N 2 2 236.403 2.783 10 0 BFAELP CCC[N@H+](C[C@@H]1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000249947218 135047454 /nfs/dbraw/zinc/04/74/54/135047454.db2.gz HSJMPCBZZBROIO-ZNMIVQPWSA-N 2 2 238.419 2.887 10 0 BFAELP CCC[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000249947218 135047457 /nfs/dbraw/zinc/04/74/57/135047457.db2.gz HSJMPCBZZBROIO-ZNMIVQPWSA-N 2 2 238.419 2.887 10 0 BFAELP CCC[N@H+](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000249947215 135047519 /nfs/dbraw/zinc/04/75/19/135047519.db2.gz HSJMPCBZZBROIO-KFWWJZLASA-N 2 2 238.419 2.887 10 0 BFAELP CCC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000249947215 135047522 /nfs/dbraw/zinc/04/75/22/135047522.db2.gz HSJMPCBZZBROIO-KFWWJZLASA-N 2 2 238.419 2.887 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)C1 ZINC000251767332 135076478 /nfs/dbraw/zinc/07/64/78/135076478.db2.gz VSSWKVGYIYQVFP-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC)C1 ZINC000251767332 135076480 /nfs/dbraw/zinc/07/64/80/135076480.db2.gz VSSWKVGYIYQVFP-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]1CC[N@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000261549410 135188634 /nfs/dbraw/zinc/18/86/34/135188634.db2.gz IQXAYUDWGBRLAP-WKIIYXSPSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000261549410 135188636 /nfs/dbraw/zinc/18/86/36/135188636.db2.gz IQXAYUDWGBRLAP-WKIIYXSPSA-N 2 2 244.382 2.759 10 0 BFAELP CC(C)Nc1c(C[NH3+])c[nH+]c2ccccc21 ZINC000050423125 167142339 /nfs/dbraw/zinc/14/23/39/167142339.db2.gz SDXDDIZEHACRJM-UHFFFAOYSA-N 2 2 215.300 2.514 10 0 BFAELP C[C@H](C[C@H](C)[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000228268442 487601601 /nfs/dbraw/zinc/60/16/01/487601601.db2.gz FSFBARGFVDUZCB-WDEREUQCSA-N 2 2 229.327 2.773 10 0 BFAELP C[C@H]([NH3+])C[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228268295 487601662 /nfs/dbraw/zinc/60/16/62/487601662.db2.gz FVJKMCROIXCGLT-YUMQZZPRSA-N 2 2 247.264 2.638 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CC[NH2+]C1 ZINC000133840968 410592512 /nfs/dbraw/zinc/59/25/12/410592512.db2.gz JKPGQKCTFUEPAI-GFCCVEGCSA-N 2 2 241.338 2.565 10 0 BFAELP CC(C)[C@@H](C)[N@H+](C)CC1([NH3+])CCCCC1 ZINC000036787571 167369648 /nfs/dbraw/zinc/36/96/48/167369648.db2.gz BDMRXXOTYZTVJD-GFCCVEGCSA-N 2 2 212.381 2.624 10 0 BFAELP CC(C)[C@@H](C)[N@@H+](C)CC1([NH3+])CCCCC1 ZINC000036787571 167369651 /nfs/dbraw/zinc/36/96/51/167369651.db2.gz BDMRXXOTYZTVJD-GFCCVEGCSA-N 2 2 212.381 2.624 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC000049195523 167395739 /nfs/dbraw/zinc/39/57/39/167395739.db2.gz MOYQOTLGPUGCNX-UKRRQHHQSA-N 2 2 234.387 2.923 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000401778309 411328328 /nfs/dbraw/zinc/32/83/28/411328328.db2.gz OSTOZUKUHKHOGW-KCQAQPDRSA-N 2 2 232.371 2.644 10 0 BFAELP CC1CCC(C[NH3+])([N@@H+]2CCC[C@H](C)C2)CC1 ZINC000019807694 168153542 /nfs/dbraw/zinc/15/35/42/168153542.db2.gz RVRNKXQINMJDJW-MOKVOYLWSA-N 2 2 224.392 2.626 10 0 BFAELP CC1CCC(C[NH3+])([N@H+]2CCC[C@H](C)C2)CC1 ZINC000019807694 168153544 /nfs/dbraw/zinc/15/35/44/168153544.db2.gz RVRNKXQINMJDJW-MOKVOYLWSA-N 2 2 224.392 2.626 10 0 BFAELP CC1CCC(C[NH3+])([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000019807793 168154214 /nfs/dbraw/zinc/15/42/14/168154214.db2.gz IDSSCOQCKWITCG-GQKFXUNGSA-N 2 2 238.419 2.872 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000336776273 170038789 /nfs/dbraw/zinc/03/87/89/170038789.db2.gz FIKXQVLZYWDVPP-MELADBBJSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000336776273 170038790 /nfs/dbraw/zinc/03/87/90/170038790.db2.gz FIKXQVLZYWDVPP-MELADBBJSA-N 2 2 226.408 2.741 10 0 BFAELP CC[NH2+]CCCc1ccc2c(c1)[nH+]c(CC)n2C ZINC000107292614 170113794 /nfs/dbraw/zinc/11/37/94/170113794.db2.gz HPJJKWMWQSZWDL-UHFFFAOYSA-N 2 2 245.370 2.678 10 0 BFAELP CC[NH2+]C[C@](C)(CC)C[N@H+](C)Cc1cccnc1 ZINC000051217684 170123619 /nfs/dbraw/zinc/12/36/19/170123619.db2.gz VMGGSJIECPJFQL-HNNXBMFYSA-N 2 2 249.402 2.539 10 0 BFAELP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)Cc1cccnc1 ZINC000051217684 170123621 /nfs/dbraw/zinc/12/36/21/170123621.db2.gz VMGGSJIECPJFQL-HNNXBMFYSA-N 2 2 249.402 2.539 10 0 BFAELP CC[NH2+]Cc1ccccc1-n1c[nH+]c(C)c1C ZINC000051927441 170128007 /nfs/dbraw/zinc/12/80/07/170128007.db2.gz IQTSGTPHOCGZQW-UHFFFAOYSA-N 2 2 229.327 2.599 10 0 BFAELP CC[NH2+][C@H](C)Cn1c(CC)[nH+]c2ccccc21 ZINC000062807427 170158349 /nfs/dbraw/zinc/15/83/49/170158349.db2.gz AMTRESGPIYOZSX-LLVKDONJSA-N 2 2 231.343 2.597 10 0 BFAELP CC[NH2+][C@H](C)c1c(F)cccc1-n1cc[nH+]c1 ZINC000034663889 170159378 /nfs/dbraw/zinc/15/93/78/170159378.db2.gz VWWTVRJDDCUHOC-SNVBAGLBSA-N 2 2 233.290 2.682 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(F)c1 ZINC000035570344 170163251 /nfs/dbraw/zinc/16/32/51/170163251.db2.gz NRSFHBGILMNHSB-CYBMUJFWSA-N 2 2 247.317 2.751 10 0 BFAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccco2)C[C@@H]1C ZINC000049711179 170168164 /nfs/dbraw/zinc/16/81/64/170168164.db2.gz CIZPOBSUIXNWSO-AVGNSLFASA-N 2 2 236.359 2.661 10 0 BFAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccco2)C[C@@H]1C ZINC000049711179 170168166 /nfs/dbraw/zinc/16/81/66/170168166.db2.gz CIZPOBSUIXNWSO-AVGNSLFASA-N 2 2 236.359 2.661 10 0 BFAELP CC[C@@H](CC[NH3+])n1c(C)[nH+]c2ccccc21 ZINC000036677776 170816569 /nfs/dbraw/zinc/81/65/69/170816569.db2.gz USMAEUHYNNBJTH-NSHDSACASA-N 2 2 217.316 2.645 10 0 BFAELP CC[C@H](C)C[N@@H+]1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860141 171283072 /nfs/dbraw/zinc/28/30/72/171283072.db2.gz DHSXIEOZAYRYBP-XJKSGUPXSA-N 2 2 246.398 2.679 10 0 BFAELP CC[C@H](C)C[N@H+]1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860141 171283073 /nfs/dbraw/zinc/28/30/73/171283073.db2.gz DHSXIEOZAYRYBP-XJKSGUPXSA-N 2 2 246.398 2.679 10 0 BFAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCCC1 ZINC000019807625 171296221 /nfs/dbraw/zinc/29/62/21/171296221.db2.gz DNGKVUOUBOCLSH-STQMWFEESA-N 2 2 212.381 2.626 10 0 BFAELP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019948125 171296599 /nfs/dbraw/zinc/29/65/99/171296599.db2.gz DRPWFLAGMLGBEB-NWANDNLSSA-N 2 2 238.419 2.885 10 0 BFAELP CCc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH2+]C1 ZINC000057865694 172013267 /nfs/dbraw/zinc/01/32/67/172013267.db2.gz GYISWSDMODMUCB-GFCCVEGCSA-N 2 2 243.354 2.598 10 0 BFAELP CCc1[nH+]c2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000057865696 172014581 /nfs/dbraw/zinc/01/45/81/172014581.db2.gz GYISWSDMODMUCB-LBPRGKRZSA-N 2 2 243.354 2.598 10 0 BFAELP C[NH2+]C(C)(C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000061319763 173319723 /nfs/dbraw/zinc/31/97/23/173319723.db2.gz JWDLTPUZFJFEMC-SNVBAGLBSA-N 2 2 238.400 2.665 10 0 BFAELP C[NH2+]C(C)(C)C[N@H+]1CCc2sccc2[C@H]1C ZINC000061319763 173319724 /nfs/dbraw/zinc/31/97/24/173319724.db2.gz JWDLTPUZFJFEMC-SNVBAGLBSA-N 2 2 238.400 2.665 10 0 BFAELP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000061319795 173319730 /nfs/dbraw/zinc/31/97/30/173319730.db2.gz NRQNOYSCVYLEJY-ZDUSSCGKSA-N 2 2 224.392 2.639 10 0 BFAELP C[NH2+]C(C)(C)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000061319795 173319731 /nfs/dbraw/zinc/31/97/31/173319731.db2.gz NRQNOYSCVYLEJY-ZDUSSCGKSA-N 2 2 224.392 2.639 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)CC1CCC1 ZINC000061485964 173367152 /nfs/dbraw/zinc/36/71/52/173367152.db2.gz FRMMFOYEVFFEMG-HNNXBMFYSA-N 2 2 232.371 2.679 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)CC1CCC1 ZINC000061485964 173367154 /nfs/dbraw/zinc/36/71/54/173367154.db2.gz FRMMFOYEVFFEMG-HNNXBMFYSA-N 2 2 232.371 2.679 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)n1cc[nH+]c1C(C)C ZINC000053525331 173367190 /nfs/dbraw/zinc/36/71/90/173367190.db2.gz JPEPOHRSRIDNNB-AWEZNQCLSA-N 2 2 243.354 2.815 10 0 BFAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C1[C@@H](C)CCC[C@@H]1C ZINC000063166749 173377779 /nfs/dbraw/zinc/37/77/79/173377779.db2.gz LFUZVVIKJAOSNE-MELADBBJSA-N 2 2 238.419 2.885 10 0 BFAELP C[NH2+]C[C@H]1CCCC[N@H+]1C1[C@@H](C)CCC[C@@H]1C ZINC000063166749 173377781 /nfs/dbraw/zinc/37/77/81/173377781.db2.gz LFUZVVIKJAOSNE-MELADBBJSA-N 2 2 238.419 2.885 10 0 BFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000022212343 175294516 /nfs/dbraw/zinc/29/45/16/175294516.db2.gz XZDKHCZFPIUAMW-WFASDCNBSA-N 2 2 248.370 2.569 10 0 BFAELP COc1cccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000022212343 175294517 /nfs/dbraw/zinc/29/45/17/175294517.db2.gz XZDKHCZFPIUAMW-WFASDCNBSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000036092661 175353098 /nfs/dbraw/zinc/35/30/98/175353098.db2.gz SRYLCJMJKZMAAU-OCCSQVGLSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccccc1[C@H](C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000036092661 175353100 /nfs/dbraw/zinc/35/31/00/175353100.db2.gz SRYLCJMJKZMAAU-OCCSQVGLSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@@H](c1ccsc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000050345209 176036152 /nfs/dbraw/zinc/03/61/52/176036152.db2.gz KIFSXKIGXGJXKP-CMPLNLGQSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H](c1ccsc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000050345209 176036153 /nfs/dbraw/zinc/03/61/53/176036153.db2.gz KIFSXKIGXGJXKP-CMPLNLGQSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431250 176116084 /nfs/dbraw/zinc/11/60/84/176116084.db2.gz OZBULSVJEOZQCV-YIYPIFLZSA-N 2 2 224.392 2.909 10 0 BFAELP C[C@@H]1CCC[C@H](N(C)c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051397465 176140190 /nfs/dbraw/zinc/14/01/90/176140190.db2.gz UXAMEHKSNIUEII-YPMHNXCESA-N 2 2 233.359 2.555 10 0 BFAELP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062619210 176306329 /nfs/dbraw/zinc/30/63/29/176306329.db2.gz YTCLXYXHHNIPIV-LLVKDONJSA-N 2 2 238.762 2.524 10 0 BFAELP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062619210 176306330 /nfs/dbraw/zinc/30/63/30/176306330.db2.gz YTCLXYXHHNIPIV-LLVKDONJSA-N 2 2 238.762 2.524 10 0 BFAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([NH+]2CCCC2)C1 ZINC000019807629 177063917 /nfs/dbraw/zinc/06/39/17/177063917.db2.gz VHPOCADVFHCBJY-JSGCOSHPSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCCC[C@@H]2C)C1 ZINC000019807648 177078561 /nfs/dbraw/zinc/07/85/61/177078561.db2.gz TWUUGBRECHNBKK-HZSPNIEDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCCC[C@@H]2C)C1 ZINC000019807648 177078562 /nfs/dbraw/zinc/07/85/62/177078562.db2.gz TWUUGBRECHNBKK-HZSPNIEDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCCC[C@@H]2C)C1 ZINC000019807650 177078695 /nfs/dbraw/zinc/07/86/95/177078695.db2.gz TWUUGBRECHNBKK-RDBSUJKOSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCCC[C@@H]2C)C1 ZINC000019807650 177078696 /nfs/dbraw/zinc/07/86/96/177078696.db2.gz TWUUGBRECHNBKK-RDBSUJKOSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054243651 177085886 /nfs/dbraw/zinc/08/58/86/177085886.db2.gz BJQGNNSLMONKCT-KKUMJFAQSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054243651 177085889 /nfs/dbraw/zinc/08/58/89/177085889.db2.gz BJQGNNSLMONKCT-KKUMJFAQSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@@H]1CCC[C@H](C)C1[NH2+]CC[NH+]1CCCCC1 ZINC000049574454 177114228 /nfs/dbraw/zinc/11/42/28/177114228.db2.gz LUIYECNSSUXVOK-YIONKMFJSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000019807714 177143875 /nfs/dbraw/zinc/14/38/75/177143875.db2.gz NRNSXKXMRDWFNJ-KBPBESRZSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662410 177170236 /nfs/dbraw/zinc/17/02/36/177170236.db2.gz XGYTTWIBMXUUCX-RYUDHWBXSA-N 2 2 236.334 2.571 10 0 BFAELP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662410 177170237 /nfs/dbraw/zinc/17/02/37/177170237.db2.gz XGYTTWIBMXUUCX-RYUDHWBXSA-N 2 2 236.334 2.571 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@]2(C[NH3+])CCC[C@H](C)C2)C1 ZINC000019807790 177314327 /nfs/dbraw/zinc/31/43/27/177314327.db2.gz QNONGFRAVHVBLX-XQLPTFJDSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@]2(C[NH3+])CCC[C@H](C)C2)C1 ZINC000019807790 177314328 /nfs/dbraw/zinc/31/43/28/177314328.db2.gz QNONGFRAVHVBLX-XQLPTFJDSA-N 2 2 238.419 2.872 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400347579 226341377 /nfs/dbraw/zinc/34/13/77/226341377.db2.gz AKYPURBDSGCVTO-YDHLFZDLSA-N 2 2 232.371 2.786 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811636 226351907 /nfs/dbraw/zinc/35/19/07/226351907.db2.gz YOUNPUBBXRHTLW-YDHLFZDLSA-N 2 2 232.371 2.786 10 0 BFAELP CCC[C@@H](C)C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166492 324386937 /nfs/dbraw/zinc/38/69/37/324386937.db2.gz GGMQZJZTSUAWJL-KGLIPLIRSA-N 2 2 228.424 2.989 10 0 BFAELP CCC(CC)C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166789 324387741 /nfs/dbraw/zinc/38/77/41/324387741.db2.gz BGCREWTWXWLHLE-AWEZNQCLSA-N 2 2 228.424 2.989 10 0 BFAELP CC(C)C[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037167057 324387815 /nfs/dbraw/zinc/38/78/15/324387815.db2.gz BBZSBHUXTJUPDV-ZIAGYGMSSA-N 2 2 228.424 2.987 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCC[C@H](C)C1 ZINC000051399948 536468754 /nfs/dbraw/zinc/46/87/54/536468754.db2.gz DMYMVGYMABJHGC-NSHDSACASA-N 2 2 247.386 2.654 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000226365917 535305550 /nfs/dbraw/zinc/30/55/50/535305550.db2.gz JYKNXUGAVRMDFX-BFHYXJOUSA-N 2 2 226.408 2.741 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227197114 535305602 /nfs/dbraw/zinc/30/56/02/535305602.db2.gz WCUFQCOCAVOLFU-MGPQQGTHSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217912257 535582405 /nfs/dbraw/zinc/58/24/05/535582405.db2.gz DHAFOQWRNRRYCL-IHRRRGAJSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217912257 535582409 /nfs/dbraw/zinc/58/24/09/535582409.db2.gz DHAFOQWRNRRYCL-IHRRRGAJSA-N 2 2 238.419 2.885 10 0 BFAELP [NH3+]Cc1c(C2CCCCC2)[nH+]c2n1CCCC2 ZINC000259030561 582793549 /nfs/dbraw/zinc/79/35/49/582793549.db2.gz JOPGCKJFISGWLJ-UHFFFAOYSA-N 2 2 233.359 2.726 10 0 BFAELP CCC1(C)CC[NH+]([C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396598585 583085581 /nfs/dbraw/zinc/08/55/81/583085581.db2.gz GHUMNWBFHYXLNO-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)C[C@H](C[NH2+]CCc1ccccc1)[NH+](C)C ZINC000020201180 633810916 /nfs/dbraw/zinc/81/09/16/633810916.db2.gz MRJVXARNIGPVOF-MRXNPFEDSA-N 2 2 248.414 2.795 10 0 BFAELP Cc1cc([N@@H+](C)CC(C)C)ccc1C[C@H](C)[NH3+] ZINC000104280315 178096184 /nfs/dbraw/zinc/09/61/84/178096184.db2.gz KXQMUFSMIRMSEI-ZDUSSCGKSA-N 2 2 234.387 2.977 10 0 BFAELP Cc1cc([N@H+](C)CC(C)C)ccc1C[C@H](C)[NH3+] ZINC000104280315 178096186 /nfs/dbraw/zinc/09/61/86/178096186.db2.gz KXQMUFSMIRMSEI-ZDUSSCGKSA-N 2 2 234.387 2.977 10 0 BFAELP Cc1cc([NH3+])ccc1N(CC[NH+](C)C)CC(C)C ZINC000042740745 178105647 /nfs/dbraw/zinc/10/56/47/178105647.db2.gz NEBBLWWEIBSMJY-UHFFFAOYSA-N 2 2 249.402 2.601 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@@H](CC(C)C)C[NH+](C)C ZINC000049555005 178106787 /nfs/dbraw/zinc/10/67/87/178106787.db2.gz BPRUWJSJENABDB-AWEZNQCLSA-N 2 2 249.402 2.965 10 0 BFAELP Cc1cc2[nH+]cn([C@@H]3CC[C@@H](C)[NH2+]C3)c2cc1C ZINC000062949152 178305882 /nfs/dbraw/zinc/30/58/82/178305882.db2.gz ZRMMMGXDCOMECT-CHWSQXEVSA-N 2 2 243.354 2.966 10 0 BFAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000035331582 538956545 /nfs/dbraw/zinc/95/65/45/538956545.db2.gz MXJZHUDEFMMXNM-HNNXBMFYSA-N 2 2 241.338 2.548 10 0 BFAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000035331582 538956546 /nfs/dbraw/zinc/95/65/46/538956546.db2.gz MXJZHUDEFMMXNM-HNNXBMFYSA-N 2 2 241.338 2.548 10 0 BFAELP c1cn(C[C@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)c[nH+]1 ZINC000188407890 538978565 /nfs/dbraw/zinc/97/85/65/538978565.db2.gz RDOMNKSWFSBVFX-LSDHHAIUSA-N 2 2 245.370 2.704 10 0 BFAELP c1cn(C[C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)c[nH+]1 ZINC000188407890 538978566 /nfs/dbraw/zinc/97/85/66/538978566.db2.gz RDOMNKSWFSBVFX-LSDHHAIUSA-N 2 2 245.370 2.704 10 0 BFAELP C[C@@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1C[C@H]1C ZINC000322227056 259352552 /nfs/dbraw/zinc/35/25/52/259352552.db2.gz YSYYAXJMZCNRBT-LUYZLQTOSA-N 2 2 246.398 2.923 10 0 BFAELP C[NH+](C)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000020260356 343140339 /nfs/dbraw/zinc/14/03/39/343140339.db2.gz OEDXASUOCKHCRL-HZPDHXFCSA-N 2 2 240.350 2.989 10 0 BFAELP CC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816496 344236481 /nfs/dbraw/zinc/23/64/81/344236481.db2.gz VTNGGEVJIHEXIA-HIFRSBDPSA-N 2 2 234.387 2.895 10 0 BFAELP CC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816496 344236482 /nfs/dbraw/zinc/23/64/82/344236482.db2.gz VTNGGEVJIHEXIA-HIFRSBDPSA-N 2 2 234.387 2.895 10 0 BFAELP CC[NH2+][C@H](CC)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816499 344236517 /nfs/dbraw/zinc/23/65/17/344236517.db2.gz VTNGGEVJIHEXIA-DZGCQCFKSA-N 2 2 234.387 2.895 10 0 BFAELP CC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816499 344236520 /nfs/dbraw/zinc/23/65/20/344236520.db2.gz VTNGGEVJIHEXIA-DZGCQCFKSA-N 2 2 234.387 2.895 10 0 BFAELP [NH3+][C@@H](CC=Cc1ccccc1)CCc1c[nH]c[nH+]1 ZINC000029406808 344600795 /nfs/dbraw/zinc/60/07/95/344600795.db2.gz UCUSOHOVXUOPEU-GBXSZLQWSA-N 2 2 241.338 2.773 10 0 BFAELP [NH3+][C@@H](CC=Cc1ccccc1)CCc1c[nH+]c[nH]1 ZINC000029406808 344600797 /nfs/dbraw/zinc/60/07/97/344600797.db2.gz UCUSOHOVXUOPEU-GBXSZLQWSA-N 2 2 241.338 2.773 10 0 BFAELP Cc1ccc(NC[C@@H](C)C[NH+]2CCCCC2)[nH+]c1 ZINC000038042182 178759352 /nfs/dbraw/zinc/75/93/52/178759352.db2.gz OTARZZBIZFMDOD-CQSZACIVSA-N 2 2 247.386 2.924 10 0 BFAELP CC[NH2+]C(C)(C)C[N@H+](CC)Cc1ccccc1 ZINC000061299649 344904208 /nfs/dbraw/zinc/90/42/08/344904208.db2.gz FCKUBMUZSSRIQV-UHFFFAOYSA-N 2 2 234.387 2.897 10 0 BFAELP CC[NH2+]C(C)(C)C[N@@H+](CC)Cc1ccccc1 ZINC000061299649 344904211 /nfs/dbraw/zinc/90/42/11/344904211.db2.gz FCKUBMUZSSRIQV-UHFFFAOYSA-N 2 2 234.387 2.897 10 0 BFAELP Cc1ccc(N[C@H](CC(C)C)C[NH+](C)C)[nH+]c1 ZINC000049558282 178776643 /nfs/dbraw/zinc/77/66/43/178776643.db2.gz BZBARCCWICSUIK-CYBMUJFWSA-N 2 2 235.375 2.778 10 0 BFAELP CC[C@@H](C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C ZINC000132305996 345326409 /nfs/dbraw/zinc/32/64/09/345326409.db2.gz ILIVLFKRENXGTA-UKRRQHHQSA-N 2 2 234.387 2.753 10 0 BFAELP CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C ZINC000132305996 345326411 /nfs/dbraw/zinc/32/64/11/345326411.db2.gz ILIVLFKRENXGTA-UKRRQHHQSA-N 2 2 234.387 2.753 10 0 BFAELP Cc1cc(Cl)cc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054777 537975085 /nfs/dbraw/zinc/97/50/85/537975085.db2.gz PHRLVOUBWNQNFF-OLZOCXBDSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc(Cl)cc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054777 537975088 /nfs/dbraw/zinc/97/50/88/537975088.db2.gz PHRLVOUBWNQNFF-OLZOCXBDSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc(Cl)cc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054783 537975228 /nfs/dbraw/zinc/97/52/28/537975228.db2.gz PHRLVOUBWNQNFF-QWHCGFSZSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc(Cl)cc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054783 537975231 /nfs/dbraw/zinc/97/52/31/537975231.db2.gz PHRLVOUBWNQNFF-QWHCGFSZSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCCC2)c1 ZINC000042965489 179204245 /nfs/dbraw/zinc/20/42/45/179204245.db2.gz OFEOPDRSENIJSD-HIFRSBDPSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1[nH]c2cc([C@@H]([NH3+])c3ccccc3)ccc2[nH+]1 ZINC000037337089 180097503 /nfs/dbraw/zinc/09/75/03/180097503.db2.gz UTWPVSWVGFSJST-HNNXBMFYSA-N 2 2 237.306 2.919 10 0 BFAELP Cc1[nH]c2ccc([C@@H]([NH3+])c3ccccc3)cc2[nH+]1 ZINC000037337089 180097506 /nfs/dbraw/zinc/09/75/06/180097506.db2.gz UTWPVSWVGFSJST-HNNXBMFYSA-N 2 2 237.306 2.919 10 0 BFAELP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324700761 323263518 /nfs/dbraw/zinc/26/35/18/323263518.db2.gz YELFVDDKIXWQCK-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP Cc1[nH+]c2ccccc2n1[C@@H](C)C[NH2+]C1CC1 ZINC000053524125 180102925 /nfs/dbraw/zinc/10/29/25/180102925.db2.gz BQENAGNZEKHLIP-JTQLQIEISA-N 2 2 229.327 2.658 10 0 BFAELP Cc1[nH+]c2ccccc2n1CC[C@@H]1CCCC[NH2+]1 ZINC000041671358 180103118 /nfs/dbraw/zinc/10/31/18/180103118.db2.gz PZTVYEFRIRZZHS-ZDUSSCGKSA-N 2 2 243.354 2.877 10 0 BFAELP Cc1[nH+]c2ccccc2n1C[C@@H]([NH3+])C(C)(C)C ZINC000019389672 180103462 /nfs/dbraw/zinc/10/34/62/180103462.db2.gz ZKUFUSXGIHAVNR-CYBMUJFWSA-N 2 2 231.343 2.718 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616601121 350781234 /nfs/dbraw/zinc/78/12/34/350781234.db2.gz JQEZAUWMSJTIMZ-NSHDSACASA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616601121 350781235 /nfs/dbraw/zinc/78/12/35/350781235.db2.gz JQEZAUWMSJTIMZ-NSHDSACASA-N 2 2 221.348 2.778 10 0 BFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000616622999 351088116 /nfs/dbraw/zinc/08/81/16/351088116.db2.gz BBSLHDRUKGZWQC-CQSZACIVSA-N 2 2 236.334 2.702 10 0 BFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000616622999 351088119 /nfs/dbraw/zinc/08/81/19/351088119.db2.gz BBSLHDRUKGZWQC-CQSZACIVSA-N 2 2 236.334 2.702 10 0 BFAELP COc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616625659 351094943 /nfs/dbraw/zinc/09/49/43/351094943.db2.gz SKMMACJIOQCFIP-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP COc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616625659 351094945 /nfs/dbraw/zinc/09/49/45/351094945.db2.gz SKMMACJIOQCFIP-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP CC(C)C[C@](C)(C[NH3+])[NH+]1CCCCCC1 ZINC000019807719 187487893 /nfs/dbraw/zinc/48/78/93/187487893.db2.gz RAEXMCWUMAILQG-CYBMUJFWSA-N 2 2 212.381 2.626 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394865094 351858045 /nfs/dbraw/zinc/85/80/45/351858045.db2.gz ONQSKTUWJVAGJQ-KGLIPLIRSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394865094 351858049 /nfs/dbraw/zinc/85/80/49/351858049.db2.gz ONQSKTUWJVAGJQ-KGLIPLIRSA-N 2 2 236.403 2.783 10 0 BFAELP CC1(C)CC[C@@H]1[N@H+](CC[NH3+])Cc1ccccc1 ZINC000307573413 352658479 /nfs/dbraw/zinc/65/84/79/352658479.db2.gz FQSVWEZPOBWAQH-AWEZNQCLSA-N 2 2 232.371 2.636 10 0 BFAELP CC1(C)CC[C@@H]1[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000307573413 352658481 /nfs/dbraw/zinc/65/84/81/352658481.db2.gz FQSVWEZPOBWAQH-AWEZNQCLSA-N 2 2 232.371 2.636 10 0 BFAELP Cc1ccc(C)c(C[N@@H+](C)CC[NH2+]C(C)C)c1 ZINC000042691167 188083794 /nfs/dbraw/zinc/08/37/94/188083794.db2.gz OTRIRHAWQBVTOU-UHFFFAOYSA-N 2 2 234.387 2.733 10 0 BFAELP Cc1ccc(C)c(C[N@H+](C)CC[NH2+]C(C)C)c1 ZINC000042691167 188083796 /nfs/dbraw/zinc/08/37/96/188083796.db2.gz OTRIRHAWQBVTOU-UHFFFAOYSA-N 2 2 234.387 2.733 10 0 BFAELP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C(C)(C)C ZINC000310016735 188170484 /nfs/dbraw/zinc/17/04/84/188170484.db2.gz LEOSALFFZLVPEQ-YPMHNXCESA-N 2 2 226.408 2.883 10 0 BFAELP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C(C)(C)C ZINC000310016735 188170486 /nfs/dbraw/zinc/17/04/86/188170486.db2.gz LEOSALFFZLVPEQ-YPMHNXCESA-N 2 2 226.408 2.883 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000328252027 353593605 /nfs/dbraw/zinc/59/36/05/353593605.db2.gz KTTDLKOIWSYYCD-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000328252027 353593607 /nfs/dbraw/zinc/59/36/07/353593607.db2.gz KTTDLKOIWSYYCD-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000040501957 358492958 /nfs/dbraw/zinc/49/29/58/358492958.db2.gz DMJPIDYKQZIUAW-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000040501957 358492959 /nfs/dbraw/zinc/49/29/59/358492959.db2.gz DMJPIDYKQZIUAW-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000040502891 358494343 /nfs/dbraw/zinc/49/43/43/358494343.db2.gz JUZIUOLARASFMD-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000040502891 358494345 /nfs/dbraw/zinc/49/43/45/358494345.db2.gz JUZIUOLARASFMD-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389166568 355741423 /nfs/dbraw/zinc/74/14/23/355741423.db2.gz MSIMRTUNJXDXQZ-HOTGVXAUSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389166568 355741426 /nfs/dbraw/zinc/74/14/26/355741426.db2.gz MSIMRTUNJXDXQZ-HOTGVXAUSA-N 2 2 246.398 2.692 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000389142874 355730813 /nfs/dbraw/zinc/73/08/13/355730813.db2.gz HNWBDXRIHPNWHT-ILXRZTDVSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000389142874 355730817 /nfs/dbraw/zinc/73/08/17/355730817.db2.gz HNWBDXRIHPNWHT-ILXRZTDVSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000389271231 355939804 /nfs/dbraw/zinc/93/98/04/355939804.db2.gz RAYBTFJDZJYXOA-YPMHNXCESA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000389271231 355939808 /nfs/dbraw/zinc/93/98/08/355939808.db2.gz RAYBTFJDZJYXOA-YPMHNXCESA-N 2 2 238.400 2.801 10 0 BFAELP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389506714 356694464 /nfs/dbraw/zinc/69/44/64/356694464.db2.gz DFYVCAIDHNCEKJ-IHRRRGAJSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389506714 356694468 /nfs/dbraw/zinc/69/44/68/356694468.db2.gz DFYVCAIDHNCEKJ-IHRRRGAJSA-N 2 2 226.408 2.885 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321339905 357510100 /nfs/dbraw/zinc/51/01/00/357510100.db2.gz BABCEHNHTMQPNA-AAVRWANBSA-N 2 2 226.408 2.597 10 0 BFAELP C[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCCCCCC1 ZINC000043819114 358343990 /nfs/dbraw/zinc/34/39/90/358343990.db2.gz NINHHSDDPGQGTP-ZIAGYGMSSA-N 2 2 224.392 2.783 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000042325162 358521859 /nfs/dbraw/zinc/52/18/59/358521859.db2.gz FWGNJCPUVHMACL-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000042325162 358521862 /nfs/dbraw/zinc/52/18/62/358521862.db2.gz FWGNJCPUVHMACL-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CCCC[C@@H](C[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000130533464 358630783 /nfs/dbraw/zinc/63/07/83/358630783.db2.gz XXZKPTPBNJQHTG-NSHDSACASA-N 2 2 246.358 2.503 10 0 BFAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000052272776 358777101 /nfs/dbraw/zinc/77/71/01/358777101.db2.gz OZDUHUWYSUBWPJ-BMFZPTHFSA-N 2 2 244.382 2.649 10 0 BFAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000052272776 358777104 /nfs/dbraw/zinc/77/71/04/358777104.db2.gz OZDUHUWYSUBWPJ-BMFZPTHFSA-N 2 2 244.382 2.649 10 0 BFAELP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246410607 359078399 /nfs/dbraw/zinc/07/83/99/359078399.db2.gz MKTRXCQMWBAZLX-QEJZJMRPSA-N 2 2 232.371 2.820 10 0 BFAELP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000246410607 359078403 /nfs/dbraw/zinc/07/84/03/359078403.db2.gz MKTRXCQMWBAZLX-QEJZJMRPSA-N 2 2 232.371 2.820 10 0 BFAELP [NH3+]C1(C[N@H+](Cc2ccco2)C2CC2)CCCC1 ZINC000042693280 181331347 /nfs/dbraw/zinc/33/13/47/181331347.db2.gz LMSPABABPNVJDN-UHFFFAOYSA-N 2 2 234.343 2.516 10 0 BFAELP [NH3+]C1(C[N@@H+](Cc2ccco2)C2CC2)CCCC1 ZINC000042693280 181331349 /nfs/dbraw/zinc/33/13/49/181331349.db2.gz LMSPABABPNVJDN-UHFFFAOYSA-N 2 2 234.343 2.516 10 0 BFAELP [NH3+]C1CCC(n2cc[nH+]c2-c2ccccc2)CC1 ZINC000055144734 181342442 /nfs/dbraw/zinc/34/24/42/181342442.db2.gz JUQHRTMTRYHLMH-UHFFFAOYSA-N 2 2 241.338 2.993 10 0 BFAELP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)C1 ZINC000336896248 364844218 /nfs/dbraw/zinc/84/42/18/364844218.db2.gz NUEAOWZQJAJBIH-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C1 ZINC000336896248 364844220 /nfs/dbraw/zinc/84/42/20/364844220.db2.gz NUEAOWZQJAJBIH-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP COc1ccccc1[C@@H](C[NH3+])[NH+]1CCCCCC1 ZINC000038860261 372794742 /nfs/dbraw/zinc/79/47/42/372794742.db2.gz FYFPSEZIYBXCKQ-CQSZACIVSA-N 2 2 248.370 2.571 10 0 BFAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000020225727 169085573 /nfs/dbraw/zinc/08/55/73/169085573.db2.gz GNDXNQMBGJIDHO-CQSZACIVSA-N 2 2 220.360 2.591 10 0 BFAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000020225727 169085576 /nfs/dbraw/zinc/08/55/76/169085576.db2.gz GNDXNQMBGJIDHO-CQSZACIVSA-N 2 2 220.360 2.591 10 0 BFAELP CCC[N@H+]([C@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042901116 169091435 /nfs/dbraw/zinc/09/14/35/169091435.db2.gz RYBOMFACCIANQT-DOMZBBRYSA-N 2 2 232.371 2.949 10 0 BFAELP CCC[N@@H+]([C@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042901116 169091437 /nfs/dbraw/zinc/09/14/37/169091437.db2.gz RYBOMFACCIANQT-DOMZBBRYSA-N 2 2 232.371 2.949 10 0 BFAELP CCC[N@H+]([C@H](C[NH3+])c1cccc(OC)c1)C1CC1 ZINC000037096927 169092169 /nfs/dbraw/zinc/09/21/69/169092169.db2.gz VEJLDSISBOUVKF-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[N@@H+]([C@H](C[NH3+])c1cccc(OC)c1)C1CC1 ZINC000037096927 169092171 /nfs/dbraw/zinc/09/21/71/169092171.db2.gz VEJLDSISBOUVKF-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[N@H+](CC)[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000037094658 169131797 /nfs/dbraw/zinc/13/17/97/169131797.db2.gz MGPZXBQJCSPYJF-OAHLLOKOSA-N 2 2 234.387 2.981 10 0 BFAELP CCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000037094658 169131798 /nfs/dbraw/zinc/13/17/98/169131798.db2.gz MGPZXBQJCSPYJF-OAHLLOKOSA-N 2 2 234.387 2.981 10 0 BFAELP CCC[NH2+]CCn1cc[nH+]c1-c1ccccc1 ZINC000042410488 169261543 /nfs/dbraw/zinc/26/15/43/169261543.db2.gz ZJRNNSVQOMLNCW-UHFFFAOYSA-N 2 2 229.327 2.550 10 0 BFAELP c1cc2cc(OCC3CC[NH2+]CC3)ccc2c[nH+]1 ZINC000202375446 183374142 /nfs/dbraw/zinc/37/41/42/183374142.db2.gz CDSOQOMEIDUEIJ-UHFFFAOYSA-N 2 2 242.322 2.613 10 0 BFAELP CCC[NH2+]C[C@H](CC)[N@H+](CC)Cc1ccncc1 ZINC000052514872 169263107 /nfs/dbraw/zinc/26/31/07/169263107.db2.gz YVBHWIAQNPCUAW-HNNXBMFYSA-N 2 2 249.402 2.682 10 0 BFAELP CCC[NH2+]C[C@H](CC)[N@@H+](CC)Cc1ccncc1 ZINC000052514872 169263108 /nfs/dbraw/zinc/26/31/08/169263108.db2.gz YVBHWIAQNPCUAW-HNNXBMFYSA-N 2 2 249.402 2.682 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(C)oc1C ZINC000035586293 169279185 /nfs/dbraw/zinc/27/91/85/169279185.db2.gz POYAOWPNDJHLBZ-ZDUSSCGKSA-N 2 2 247.342 2.903 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)o1 ZINC000035586262 169279209 /nfs/dbraw/zinc/27/92/09/169279209.db2.gz FLSAUTMDDXRXGL-NSHDSACASA-N 2 2 233.315 2.595 10 0 BFAELP CCC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(CC)o1 ZINC000051725568 169366765 /nfs/dbraw/zinc/36/67/65/169366765.db2.gz FDMBEHXIGGISFI-YPMHNXCESA-N 2 2 238.375 2.962 10 0 BFAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(CC)o1 ZINC000051725568 169366766 /nfs/dbraw/zinc/36/67/66/169366766.db2.gz FDMBEHXIGGISFI-YPMHNXCESA-N 2 2 238.375 2.962 10 0 BFAELP CCC[C@@H]([NH3+])Cn1c2ccccc2[nH+]c1CC ZINC000062807486 169392810 /nfs/dbraw/zinc/39/28/10/169392810.db2.gz WHJAFHORMYTCLH-LLVKDONJSA-N 2 2 231.343 2.726 10 0 BFAELP CCCc1[nH+]c2ccccc2n1[C@@H](C)C[NH3+] ZINC000057798974 169595324 /nfs/dbraw/zinc/59/53/24/169595324.db2.gz LJEFQBDXUBDDRB-JTQLQIEISA-N 2 2 217.316 2.509 10 0 BFAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1C ZINC000112344613 383919557 /nfs/dbraw/zinc/91/95/57/383919557.db2.gz FAWFLGWGVYINPD-LBPRGKRZSA-N 2 2 229.327 2.877 10 0 BFAELP C[C@]1([NH2+]C2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089625 384361049 /nfs/dbraw/zinc/36/10/49/384361049.db2.gz FLRUYGUWJPZPQD-INIZCTEOSA-N 2 2 244.382 2.793 10 0 BFAELP C[C@]1([NH2+]C2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095089625 384361057 /nfs/dbraw/zinc/36/10/57/384361057.db2.gz FLRUYGUWJPZPQD-INIZCTEOSA-N 2 2 244.382 2.793 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174821 384467690 /nfs/dbraw/zinc/46/76/90/384467690.db2.gz NPQZDQIRAIFJPU-LBPRGKRZSA-N 2 2 246.345 2.638 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174821 384467695 /nfs/dbraw/zinc/46/76/95/384467695.db2.gz NPQZDQIRAIFJPU-LBPRGKRZSA-N 2 2 246.345 2.638 10 0 BFAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c(C)c1 ZINC000054765034 384854667 /nfs/dbraw/zinc/85/46/67/384854667.db2.gz VWGLPLDAOQRFNQ-GFCCVEGCSA-N 2 2 229.327 2.877 10 0 BFAELP CCCc1[nH+]ccn1Cc1[nH+]ccn1C(C)C ZINC000158025570 385545658 /nfs/dbraw/zinc/54/56/58/385545658.db2.gz UEOMJUWAAOSUOO-UHFFFAOYSA-N 2 2 232.331 2.661 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000414346468 386134794 /nfs/dbraw/zinc/13/47/94/386134794.db2.gz PZOQJIDPAGHEQN-SOUVJXGZSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000414346468 386134799 /nfs/dbraw/zinc/13/47/99/386134799.db2.gz PZOQJIDPAGHEQN-SOUVJXGZSA-N 2 2 236.403 2.639 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC1(C)C ZINC000336644653 386594770 /nfs/dbraw/zinc/59/47/70/386594770.db2.gz CLAQFRNSQKMZEK-CHWSQXEVSA-N 2 2 226.408 2.741 10 0 BFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC1(C)C ZINC000336644677 386595392 /nfs/dbraw/zinc/59/53/92/386595392.db2.gz CLAQFRNSQKMZEK-STQMWFEESA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396520827 386772723 /nfs/dbraw/zinc/77/27/23/386772723.db2.gz CMRWCYPCVAWSNS-AEGPPILISA-N 2 2 232.371 2.868 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1F ZINC000396578393 386780539 /nfs/dbraw/zinc/78/05/39/386780539.db2.gz ODYAKHZCVMQQQK-WDMOLILDSA-N 2 2 236.334 2.617 10 0 BFAELP C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000400589123 387154300 /nfs/dbraw/zinc/15/43/00/387154300.db2.gz TUGHCYMCUWITDP-VWYCJHECSA-N 2 2 224.373 2.539 10 0 BFAELP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000400589120 387154630 /nfs/dbraw/zinc/15/46/30/387154630.db2.gz TUGHCYMCUWITDP-HBNTYKKESA-N 2 2 224.373 2.539 10 0 BFAELP CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897923 387525056 /nfs/dbraw/zinc/52/50/56/387525056.db2.gz PVXSENQPLVBBEG-ZDUSSCGKSA-N 2 2 235.375 2.883 10 0 BFAELP CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897923 387525061 /nfs/dbraw/zinc/52/50/61/387525061.db2.gz PVXSENQPLVBBEG-ZDUSSCGKSA-N 2 2 235.375 2.883 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccs1 ZINC000396685346 387481797 /nfs/dbraw/zinc/48/17/97/387481797.db2.gz XXERAUXLXDQRHM-WOPDTQHZSA-N 2 2 238.400 2.929 10 0 BFAELP CC[C@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246171125 388016932 /nfs/dbraw/zinc/01/69/32/388016932.db2.gz FLUSASPNXWXDFB-JSGCOSHPSA-N 2 2 235.375 2.702 10 0 BFAELP CC[C@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246171125 388016935 /nfs/dbraw/zinc/01/69/35/388016935.db2.gz FLUSASPNXWXDFB-JSGCOSHPSA-N 2 2 235.375 2.702 10 0 BFAELP CC[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246171130 388017375 /nfs/dbraw/zinc/01/73/75/388017375.db2.gz FLUSASPNXWXDFB-OCCSQVGLSA-N 2 2 235.375 2.702 10 0 BFAELP CC[C@@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246171130 388017381 /nfs/dbraw/zinc/01/73/81/388017381.db2.gz FLUSASPNXWXDFB-OCCSQVGLSA-N 2 2 235.375 2.702 10 0 BFAELP CCc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000038827598 388406294 /nfs/dbraw/zinc/40/62/94/388406294.db2.gz OBRLYNTWKDKFDQ-INIZCTEOSA-N 2 2 246.398 2.981 10 0 BFAELP CCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000393784254 388442101 /nfs/dbraw/zinc/44/21/01/388442101.db2.gz SGJSQAGFUQWXOM-KBPBESRZSA-N 2 2 226.408 2.887 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000178294609 134306072 /nfs/dbraw/zinc/30/60/72/134306072.db2.gz OBNOJXGNTIJLNB-OAHLLOKOSA-N 2 2 247.386 2.846 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000178294609 134306073 /nfs/dbraw/zinc/30/60/73/134306073.db2.gz OBNOJXGNTIJLNB-OAHLLOKOSA-N 2 2 247.386 2.846 10 0 BFAELP CCC[N@H+](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000227552389 134383533 /nfs/dbraw/zinc/38/35/33/134383533.db2.gz HSJMPCBZZBROIO-RBSFLKMASA-N 2 2 238.419 2.887 10 0 BFAELP CCC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000227552389 134383534 /nfs/dbraw/zinc/38/35/34/134383534.db2.gz HSJMPCBZZBROIO-RBSFLKMASA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000249615216 135042287 /nfs/dbraw/zinc/04/22/87/135042287.db2.gz WRCDBUWYFUEFTH-HOCLYGCPSA-N 2 2 244.382 2.748 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000249615216 135042289 /nfs/dbraw/zinc/04/22/89/135042289.db2.gz WRCDBUWYFUEFTH-HOCLYGCPSA-N 2 2 244.382 2.748 10 0 BFAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000252154461 135085771 /nfs/dbraw/zinc/08/57/71/135085771.db2.gz OZDUHUWYSUBWPJ-VNQPRFMTSA-N 2 2 244.382 2.649 10 0 BFAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000252154461 135085773 /nfs/dbraw/zinc/08/57/73/135085773.db2.gz OZDUHUWYSUBWPJ-VNQPRFMTSA-N 2 2 244.382 2.649 10 0 BFAELP CC(C)[NH2+]CC[N@@H+](C)CCCc1ccccc1 ZINC000042691151 167101868 /nfs/dbraw/zinc/10/18/68/167101868.db2.gz KGBZIQIZIJUSCM-UHFFFAOYSA-N 2 2 234.387 2.549 10 0 BFAELP C[C@@H]([NH3+])C[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228268288 487601654 /nfs/dbraw/zinc/60/16/54/487601654.db2.gz FVJKMCROIXCGLT-SFYZADRCSA-N 2 2 247.264 2.638 10 0 BFAELP CC(C)C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671108 167015006 /nfs/dbraw/zinc/01/50/06/167015006.db2.gz UZNSEDFRWKMKGK-INIZCTEOSA-N 2 2 246.398 2.549 10 0 BFAELP CC(C)C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671108 167015009 /nfs/dbraw/zinc/01/50/09/167015009.db2.gz UZNSEDFRWKMKGK-INIZCTEOSA-N 2 2 246.398 2.549 10 0 BFAELP CC(C)[NH2+]CC[N@H+](C)CCCc1ccccc1 ZINC000042691151 167101867 /nfs/dbraw/zinc/10/18/67/167101867.db2.gz KGBZIQIZIJUSCM-UHFFFAOYSA-N 2 2 234.387 2.549 10 0 BFAELP CC(C)[NH2+][C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464613 167131518 /nfs/dbraw/zinc/13/15/18/167131518.db2.gz IQVDSRDXBZTYOY-LBPRGKRZSA-N 2 2 234.368 2.899 10 0 BFAELP CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000063144911 168156713 /nfs/dbraw/zinc/15/67/13/168156713.db2.gz TZRXHIOEIDBYSZ-JXQTWKCFSA-N 2 2 236.403 2.639 10 0 BFAELP CC1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000063144911 168156714 /nfs/dbraw/zinc/15/67/14/168156714.db2.gz TZRXHIOEIDBYSZ-JXQTWKCFSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+](CC[NH2+]C(C)C)Cc1cccc(C)c1 ZINC000042387097 169843316 /nfs/dbraw/zinc/84/33/16/169843316.db2.gz OGCGJFIQNPKVNJ-UHFFFAOYSA-N 2 2 234.387 2.815 10 0 BFAELP CC[N@@H+](CC[NH2+]C(C)C)Cc1cccc(C)c1 ZINC000042387097 169843318 /nfs/dbraw/zinc/84/33/18/169843318.db2.gz OGCGJFIQNPKVNJ-UHFFFAOYSA-N 2 2 234.387 2.815 10 0 BFAELP CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000061299757 170107383 /nfs/dbraw/zinc/10/73/83/170107383.db2.gz UKRKGYXZMQYAOH-UHFFFAOYSA-N 2 2 238.350 2.646 10 0 BFAELP CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000061299757 170107384 /nfs/dbraw/zinc/10/73/84/170107384.db2.gz UKRKGYXZMQYAOH-UHFFFAOYSA-N 2 2 238.350 2.646 10 0 BFAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000061363796 170109664 /nfs/dbraw/zinc/10/96/64/170109664.db2.gz NKPSIMZEWRBZFI-NSHDSACASA-N 2 2 238.400 2.883 10 0 BFAELP CC[NH2+]CCCc1ccc2c(c1)[nH+]cn2CC ZINC000107288839 170113850 /nfs/dbraw/zinc/11/38/50/170113850.db2.gz RPOYCHCFMSWQAT-UHFFFAOYSA-N 2 2 231.343 2.598 10 0 BFAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000053650756 170120138 /nfs/dbraw/zinc/12/01/38/170120138.db2.gz CREWYVSAJDJTQR-INIZCTEOSA-N 2 2 246.398 2.959 10 0 BFAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000053650756 170120139 /nfs/dbraw/zinc/12/01/39/170120139.db2.gz CREWYVSAJDJTQR-INIZCTEOSA-N 2 2 246.398 2.959 10 0 BFAELP CC[NH2+]C[C@H](C(C)C)[N@H+](CC)Cc1ccco1 ZINC000052570486 170121295 /nfs/dbraw/zinc/12/12/95/170121295.db2.gz QJGJGWRAUGIULD-CQSZACIVSA-N 2 2 238.375 2.736 10 0 BFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](CC)Cc1ccco1 ZINC000052570486 170121296 /nfs/dbraw/zinc/12/12/96/170121296.db2.gz QJGJGWRAUGIULD-CQSZACIVSA-N 2 2 238.375 2.736 10 0 BFAELP CC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000034825247 170124742 /nfs/dbraw/zinc/12/47/42/170124742.db2.gz VRUKKXYCYRWVFJ-UHFFFAOYSA-N 2 2 235.718 2.635 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000049712763 170152606 /nfs/dbraw/zinc/15/26/06/170152606.db2.gz BBTLYPOFHLPKJW-HZSPNIEDSA-N 2 2 247.386 2.605 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000049712763 170152607 /nfs/dbraw/zinc/15/26/07/170152607.db2.gz BBTLYPOFHLPKJW-HZSPNIEDSA-N 2 2 247.386 2.605 10 0 BFAELP CC[NH2+][C@H](C)CCc1[nH+]cc(C)c(OC)c1C ZINC000037948126 170157230 /nfs/dbraw/zinc/15/72/30/170157230.db2.gz UOQAYJDRVMSAOP-LLVKDONJSA-N 2 2 236.359 2.638 10 0 BFAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccc(C)cc2)C1 ZINC000049557899 170167689 /nfs/dbraw/zinc/16/76/89/170167689.db2.gz RZTBYCCSNXSCDE-ZFWWWQNUSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccc(C)cc2)C1 ZINC000049557899 170167691 /nfs/dbraw/zinc/16/76/91/170167691.db2.gz RZTBYCCSNXSCDE-ZFWWWQNUSA-N 2 2 232.371 2.740 10 0 BFAELP CC[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181120935 171320215 /nfs/dbraw/zinc/32/02/15/171320215.db2.gz IMMCTVBSQHMFKJ-QWHCGFSZSA-N 2 2 233.359 2.614 10 0 BFAELP CC[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181120935 171320216 /nfs/dbraw/zinc/32/02/16/171320216.db2.gz IMMCTVBSQHMFKJ-QWHCGFSZSA-N 2 2 233.359 2.614 10 0 BFAELP CC[C@H](C)[C@H](C[NH3+])[N@H+](Cc1ccco1)C1CC1 ZINC000042692748 171391809 /nfs/dbraw/zinc/39/18/09/171391809.db2.gz MWWSSJQASMCPHQ-FZMZJTMJSA-N 2 2 236.359 2.617 10 0 BFAELP CC[C@H](C)[C@H](C[NH3+])[N@@H+](Cc1ccco1)C1CC1 ZINC000042692748 171391811 /nfs/dbraw/zinc/39/18/11/171391811.db2.gz MWWSSJQASMCPHQ-FZMZJTMJSA-N 2 2 236.359 2.617 10 0 BFAELP CCc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)o1 ZINC000051725222 171833640 /nfs/dbraw/zinc/83/36/40/171833640.db2.gz WETVYJADLHWBQZ-CYBMUJFWSA-N 2 2 236.359 2.718 10 0 BFAELP CCc1[nH+]c2cc(C[NH3+])ccc2n1CC(C)C ZINC000062214012 172010285 /nfs/dbraw/zinc/01/02/85/172010285.db2.gz SGTOKJCSLROJHL-UHFFFAOYSA-N 2 2 231.343 2.713 10 0 BFAELP CCc1[nH+]c2ccccc2n1CC1CC[NH2+]CC1 ZINC000057865411 172013299 /nfs/dbraw/zinc/01/32/99/172013299.db2.gz BVIPMONGLHIXSJ-UHFFFAOYSA-N 2 2 243.354 2.598 10 0 BFAELP CCc1[nH+]c2ccccc2n1CCC[C@@H](C)[NH2+]C ZINC000062807525 172013415 /nfs/dbraw/zinc/01/34/15/172013415.db2.gz QDSZQTWGBSFLNQ-GFCCVEGCSA-N 2 2 245.370 2.987 10 0 BFAELP CCc1[nH+]c2ccccc2n1CCC[NH+](C)C ZINC000040389598 172013517 /nfs/dbraw/zinc/01/35/17/172013517.db2.gz AETSUMYWNYGNJN-UHFFFAOYSA-N 2 2 231.343 2.550 10 0 BFAELP C[NH2+]CCCCc1ccc2c(c1)[nH+]cn2C1CC1 ZINC000107292033 173345656 /nfs/dbraw/zinc/34/56/56/173345656.db2.gz LZZMEAQUYRGQAI-UHFFFAOYSA-N 2 2 243.354 2.913 10 0 BFAELP C[NH2+]CCCc1[nH]c(C)c(-c2ccc(F)cc2)[nH+]1 ZINC000037611569 173350726 /nfs/dbraw/zinc/35/07/26/173350726.db2.gz LLOIBFKELXERKJ-UHFFFAOYSA-N 2 2 247.317 2.676 10 0 BFAELP C[NH2+]CCCc1[nH]cc(-c2ccc(Cl)cc2)[nH+]1 ZINC000037611592 173351003 /nfs/dbraw/zinc/35/10/03/173351003.db2.gz VIHQGKWFXDTJKD-UHFFFAOYSA-N 2 2 249.745 2.882 10 0 BFAELP C[NH2+]CC[N@H+](C)CCc1c(C)c(C)cc(C)c1C ZINC000077425347 173353056 /nfs/dbraw/zinc/35/30/56/173353056.db2.gz FHDNBIBNKYGLKS-UHFFFAOYSA-N 2 2 248.414 2.614 10 0 BFAELP C[NH2+]CC[N@@H+](C)CCc1c(C)c(C)cc(C)c1C ZINC000077425347 173353057 /nfs/dbraw/zinc/35/30/57/173353057.db2.gz FHDNBIBNKYGLKS-UHFFFAOYSA-N 2 2 248.414 2.614 10 0 BFAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373543 173373366 /nfs/dbraw/zinc/37/33/66/173373366.db2.gz WLUSQRQDCKDCRI-CQSZACIVSA-N 2 2 240.435 2.989 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)n1cc[nH+]c1C(C)C ZINC000053525337 173378031 /nfs/dbraw/zinc/37/80/31/173378031.db2.gz JPEPOHRSRIDNNB-CQSZACIVSA-N 2 2 243.354 2.815 10 0 BFAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052376170 176109797 /nfs/dbraw/zinc/10/97/97/176109797.db2.gz UXRQFCKENYNOPZ-CJNGLKHVSA-N 2 2 244.382 2.964 10 0 BFAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052376170 176109799 /nfs/dbraw/zinc/10/97/99/176109799.db2.gz UXRQFCKENYNOPZ-CJNGLKHVSA-N 2 2 244.382 2.964 10 0 BFAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000037910471 176110526 /nfs/dbraw/zinc/11/05/26/176110526.db2.gz GDUIIIDYQNRFDQ-MFKMUULPSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000037910471 176110528 /nfs/dbraw/zinc/11/05/28/176110528.db2.gz GDUIIIDYQNRFDQ-MFKMUULPSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[C@H]([N@@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611795 176140390 /nfs/dbraw/zinc/14/03/90/176140390.db2.gz FJQHSNXHZIQBRL-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CCC[C@H]([N@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611795 176140391 /nfs/dbraw/zinc/14/03/91/176140391.db2.gz FJQHSNXHZIQBRL-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H](c1ccccc1F)[N@H+](C)C(C)(C)C[NH3+] ZINC000062013596 177041653 /nfs/dbraw/zinc/04/16/53/177041653.db2.gz MDFDYVLSPGGYLH-SNVBAGLBSA-N 2 2 224.323 2.556 10 0 BFAELP C[C@H](c1ccccc1F)[N@@H+](C)C(C)(C)C[NH3+] ZINC000062013596 177041654 /nfs/dbraw/zinc/04/16/54/177041654.db2.gz MDFDYVLSPGGYLH-SNVBAGLBSA-N 2 2 224.323 2.556 10 0 BFAELP C[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054243649 177079574 /nfs/dbraw/zinc/07/95/74/177079574.db2.gz BJQGNNSLMONKCT-ZNMIVQPWSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054243649 177079576 /nfs/dbraw/zinc/07/95/76/177079576.db2.gz BJQGNNSLMONKCT-ZNMIVQPWSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1ccco1 ZINC000035701635 177090708 /nfs/dbraw/zinc/09/07/08/177090708.db2.gz NPXLXQYRYPWVMY-GXTWGEPZSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccco1 ZINC000035701635 177090710 /nfs/dbraw/zinc/09/07/10/177090710.db2.gz NPXLXQYRYPWVMY-GXTWGEPZSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000037910436 177112348 /nfs/dbraw/zinc/11/23/48/177112348.db2.gz ZLXXPLOPOCJRPJ-GWCFXTLKSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431246 177116947 /nfs/dbraw/zinc/11/69/47/177116947.db2.gz OZBULSVJEOZQCV-RFQIPJPRSA-N 2 2 224.392 2.909 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431246 177116948 /nfs/dbraw/zinc/11/69/48/177116948.db2.gz OZBULSVJEOZQCV-RFQIPJPRSA-N 2 2 224.392 2.909 10 0 BFAELP C[C@H]1CCC[C@@H]([N@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495855 177120674 /nfs/dbraw/zinc/12/06/74/177120674.db2.gz SFPDRFLAAYEILJ-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@@H]([N@@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495855 177120676 /nfs/dbraw/zinc/12/06/76/177120676.db2.gz SFPDRFLAAYEILJ-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@H]([N@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495851 177134316 /nfs/dbraw/zinc/13/43/16/177134316.db2.gz SFPDRFLAAYEILJ-STQMWFEESA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@H]([N@@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495851 177134318 /nfs/dbraw/zinc/13/43/18/177134318.db2.gz SFPDRFLAAYEILJ-STQMWFEESA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000336440595 177192456 /nfs/dbraw/zinc/19/24/56/177192456.db2.gz JMAMNAIPYLJFEG-WCQYABFASA-N 2 2 233.359 2.778 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])C2CCCCC2)C1 ZINC000019803013 177315402 /nfs/dbraw/zinc/31/54/02/177315402.db2.gz ZNXQIBGAFLGWAN-GUTXKFCHSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])C2CCCCC2)C1 ZINC000019803013 177315400 /nfs/dbraw/zinc/31/54/00/177315400.db2.gz ZNXQIBGAFLGWAN-GUTXKFCHSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@]2(C[NH3+])CCC[C@H](C)C2)C1 ZINC000019807788 177315440 /nfs/dbraw/zinc/31/54/40/177315440.db2.gz QNONGFRAVHVBLX-BYNSBNAKSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@]2(C[NH3+])CCC[C@H](C)C2)C1 ZINC000019807788 177315441 /nfs/dbraw/zinc/31/54/41/177315441.db2.gz QNONGFRAVHVBLX-BYNSBNAKSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000019807787 177315489 /nfs/dbraw/zinc/31/54/89/177315489.db2.gz QNONGFRAVHVBLX-APIJFGDWSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000019807787 177315490 /nfs/dbraw/zinc/31/54/90/177315490.db2.gz QNONGFRAVHVBLX-APIJFGDWSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000488423067 225394878 /nfs/dbraw/zinc/39/48/78/225394878.db2.gz ZWXLSJLMNPVCOL-SNPRPXQTSA-N 2 2 232.371 2.535 10 0 BFAELP Cc1cccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811635 226351947 /nfs/dbraw/zinc/35/19/47/226351947.db2.gz YOUNPUBBXRHTLW-VNHYZAJKSA-N 2 2 232.371 2.786 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397861216 262937907 /nfs/dbraw/zinc/93/79/07/262937907.db2.gz VCLIWUQXSTYXMR-MCIONIFRSA-N 2 2 240.435 2.987 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000675761725 487775617 /nfs/dbraw/zinc/77/56/17/487775617.db2.gz IYGMHRSETQJIJI-DZKIICNBSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000675761725 487775624 /nfs/dbraw/zinc/77/56/24/487775624.db2.gz IYGMHRSETQJIJI-DZKIICNBSA-N 2 2 246.398 2.904 10 0 BFAELP CC(C)n1cc[nH+]c1Cn1cc[nH+]c1C1CC1 ZINC000530129823 323202495 /nfs/dbraw/zinc/20/24/95/323202495.db2.gz PECHCYXUOOQSPT-UHFFFAOYSA-N 2 2 230.315 2.586 10 0 BFAELP CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324700761 323263513 /nfs/dbraw/zinc/26/35/13/323263513.db2.gz YELFVDDKIXWQCK-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324700760 323263552 /nfs/dbraw/zinc/26/35/52/323263552.db2.gz YELFVDDKIXWQCK-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324700760 323263558 /nfs/dbraw/zinc/26/35/58/323263558.db2.gz YELFVDDKIXWQCK-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324700759 323263876 /nfs/dbraw/zinc/26/38/76/323263876.db2.gz YELFVDDKIXWQCK-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324700759 323263877 /nfs/dbraw/zinc/26/38/77/323263877.db2.gz YELFVDDKIXWQCK-KBPBESRZSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@H](C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166495 324387209 /nfs/dbraw/zinc/38/72/09/324387209.db2.gz GGMQZJZTSUAWJL-UONOGXRCSA-N 2 2 228.424 2.989 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)C ZINC000037167058 324387702 /nfs/dbraw/zinc/38/77/02/324387702.db2.gz BBZSBHUXTJUPDV-UONOGXRCSA-N 2 2 228.424 2.987 10 0 BFAELP Cc1cc(Oc2ccc(C[NH3+])cc2C)cc[nH+]1 ZINC000146162659 490044388 /nfs/dbraw/zinc/04/43/88/490044388.db2.gz ZQZRPMXZGKFDMD-UHFFFAOYSA-N 2 2 228.295 2.949 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000250318926 535541662 /nfs/dbraw/zinc/54/16/62/535541662.db2.gz MVDWHSGYAKSWAR-ZIAGYGMSSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000250318926 535541665 /nfs/dbraw/zinc/54/16/65/535541665.db2.gz MVDWHSGYAKSWAR-ZIAGYGMSSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249106237 535541964 /nfs/dbraw/zinc/54/19/64/535541964.db2.gz QKAGHIWPHKCRPQ-KGLIPLIRSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249106237 535541969 /nfs/dbraw/zinc/54/19/69/535541969.db2.gz QKAGHIWPHKCRPQ-KGLIPLIRSA-N 2 2 236.403 2.783 10 0 BFAELP CCC(CC)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757133784 586426977 /nfs/dbraw/zinc/42/69/77/586426977.db2.gz UIFKETOQNSDGPF-OAHLLOKOSA-N 2 2 236.403 2.735 10 0 BFAELP CCC(CC)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757133784 586426979 /nfs/dbraw/zinc/42/69/79/586426979.db2.gz UIFKETOQNSDGPF-OAHLLOKOSA-N 2 2 236.403 2.735 10 0 BFAELP C[C@@H]1CC[NH2+][C@H](c2ccc(C3(C)CC3)cc2)[C@H]1[NH3+] ZINC000757209310 586438318 /nfs/dbraw/zinc/43/83/18/586438318.db2.gz DOFKNLFDXRHLGH-BYCMXARLSA-N 2 2 244.382 2.736 10 0 BFAELP C[C@@H]1CC[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)[C@@H]1[NH3+] ZINC000757209316 586438340 /nfs/dbraw/zinc/43/83/40/586438340.db2.gz DOFKNLFDXRHLGH-DFBGVHRSSA-N 2 2 244.382 2.736 10 0 BFAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCC(C)C)C1 ZINC000309651869 632617798 /nfs/dbraw/zinc/61/77/98/632617798.db2.gz OIPDVPQRPLTECJ-ZIAGYGMSSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCC(C)C)C1 ZINC000309651869 632617801 /nfs/dbraw/zinc/61/78/01/632617801.db2.gz OIPDVPQRPLTECJ-ZIAGYGMSSA-N 2 2 226.408 2.743 10 0 BFAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCCCC2)c(C)s1 ZINC000049687238 178235531 /nfs/dbraw/zinc/23/55/31/178235531.db2.gz XWEYIBMHDSWMPE-CYBMUJFWSA-N 2 2 238.400 2.851 10 0 BFAELP Cc1cc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c(C)s1 ZINC000049687382 178261268 /nfs/dbraw/zinc/26/12/68/178261268.db2.gz JZLZNWDVIVMYLY-ZANVPECISA-N 2 2 238.400 2.849 10 0 BFAELP Cc1cc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c(C)s1 ZINC000049687382 178261269 /nfs/dbraw/zinc/26/12/69/178261269.db2.gz JZLZNWDVIVMYLY-ZANVPECISA-N 2 2 238.400 2.849 10 0 BFAELP Cc1cc2[nH+]cn([C@H]3CCC[NH2+]C3)c2cc1C ZINC000042290518 178306066 /nfs/dbraw/zinc/30/60/66/178306066.db2.gz WVLGMTDQAGAFDI-LBPRGKRZSA-N 2 2 229.327 2.578 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000381706640 539005817 /nfs/dbraw/zinc/00/58/17/539005817.db2.gz JKBMNBWFKUGYMY-HZSPNIEDSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000381706640 539005819 /nfs/dbraw/zinc/00/58/19/539005819.db2.gz JKBMNBWFKUGYMY-HZSPNIEDSA-N 2 2 226.408 2.598 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000390463809 539022309 /nfs/dbraw/zinc/02/23/09/539022309.db2.gz GYOTZKXXZHEZRK-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000390463809 539022310 /nfs/dbraw/zinc/02/23/10/539022310.db2.gz GYOTZKXXZHEZRK-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP Cc1[nH]c(C2CC[NH2+]CC2)[nH+]c1-c1ccccc1 ZINC000036874236 343325702 /nfs/dbraw/zinc/32/57/02/343325702.db2.gz GONDNXDVVMXOHD-UHFFFAOYSA-N 2 2 241.338 2.852 10 0 BFAELP [NH3+][C@H](CC=Cc1ccccc1)CCc1c[nH]c[nH+]1 ZINC000029406805 344600750 /nfs/dbraw/zinc/60/07/50/344600750.db2.gz UCUSOHOVXUOPEU-BTKRWWFXSA-N 2 2 241.338 2.773 10 0 BFAELP [NH3+][C@H](CC=Cc1ccccc1)CCc1c[nH+]c[nH]1 ZINC000029406805 344600752 /nfs/dbraw/zinc/60/07/52/344600752.db2.gz UCUSOHOVXUOPEU-BTKRWWFXSA-N 2 2 241.338 2.773 10 0 BFAELP CC1CCC(CC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000070532275 537869994 /nfs/dbraw/zinc/86/99/94/537869994.db2.gz MDODXKLYDCWXDW-UHFFFAOYSA-N 2 2 221.348 2.716 10 0 BFAELP C[C@H](c1cccs1)[N@H+](C)C[C@H]1CCCC[NH2+]1 ZINC000248021928 345015495 /nfs/dbraw/zinc/01/54/95/345015495.db2.gz JBDXOVDMCLTSJR-VXGBXAGGSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1CCCC[NH2+]1 ZINC000248021928 345015498 /nfs/dbraw/zinc/01/54/98/345015498.db2.gz JBDXOVDMCLTSJR-VXGBXAGGSA-N 2 2 238.400 2.883 10 0 BFAELP Cc1cccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)c1C ZINC000042325153 179100927 /nfs/dbraw/zinc/10/09/27/179100927.db2.gz HJADGNWLZGDMRD-MRXNPFEDSA-N 2 2 248.414 2.979 10 0 BFAELP Cc1cccc(N[C@@H](CC(C)C)C[NH+](C)C)[nH+]1 ZINC000049558207 179152746 /nfs/dbraw/zinc/15/27/46/179152746.db2.gz WTDVEIWQVJZWIQ-ZDUSSCGKSA-N 2 2 235.375 2.778 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[NH+]2CCCCCC2)c1 ZINC000022223676 179185165 /nfs/dbraw/zinc/18/51/65/179185165.db2.gz FTWNCEYMLGVBMX-OAHLLOKOSA-N 2 2 232.371 2.871 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000036785019 179185616 /nfs/dbraw/zinc/18/56/16/179185616.db2.gz BWKBJMPYSRCJOA-SWLSCSKDSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000036785019 179185617 /nfs/dbraw/zinc/18/56/17/179185617.db2.gz BWKBJMPYSRCJOA-SWLSCSKDSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358390566 179197745 /nfs/dbraw/zinc/19/77/45/179197745.db2.gz DSUYTFAGMHNIMD-YDHLFZDLSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358390566 179197747 /nfs/dbraw/zinc/19/77/47/179197747.db2.gz DSUYTFAGMHNIMD-YDHLFZDLSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358390563 179198067 /nfs/dbraw/zinc/19/80/67/179198067.db2.gz DSUYTFAGMHNIMD-VNHYZAJKSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358390563 179198069 /nfs/dbraw/zinc/19/80/69/179198069.db2.gz DSUYTFAGMHNIMD-VNHYZAJKSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1ccccc1[N@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578687 179294757 /nfs/dbraw/zinc/29/47/57/179294757.db2.gz QERNOTHKMXOWIZ-KBPBESRZSA-N 2 2 232.371 2.949 10 0 BFAELP Cc1ccccc1[N@@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578687 179294758 /nfs/dbraw/zinc/29/47/58/179294758.db2.gz QERNOTHKMXOWIZ-KBPBESRZSA-N 2 2 232.371 2.949 10 0 BFAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)C(C)C ZINC000043033520 179347638 /nfs/dbraw/zinc/34/76/38/179347638.db2.gz BPVHUVALDSMCLB-JSGCOSHPSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)C(C)C ZINC000043033520 179347640 /nfs/dbraw/zinc/34/76/40/179347640.db2.gz BPVHUVALDSMCLB-JSGCOSHPSA-N 2 2 220.360 2.724 10 0 BFAELP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764792 349078026 /nfs/dbraw/zinc/07/80/26/349078026.db2.gz ZKGCBKYYHZOHKX-ZJUUUORDSA-N 2 2 247.264 2.620 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000120153814 180268382 /nfs/dbraw/zinc/26/83/82/180268382.db2.gz BUYUTGGZXCWLFV-CQSZACIVSA-N 2 2 233.359 2.599 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C1CCCC1 ZINC000120153814 180268384 /nfs/dbraw/zinc/26/83/84/180268384.db2.gz BUYUTGGZXCWLFV-CQSZACIVSA-N 2 2 233.359 2.599 10 0 BFAELP CC(C)(C)[N@@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616603818 350795802 /nfs/dbraw/zinc/79/58/02/350795802.db2.gz IPLPCDDPKPPARC-ZDUSSCGKSA-N 2 2 247.386 2.862 10 0 BFAELP CC(C)(C)[N@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616603818 350795803 /nfs/dbraw/zinc/79/58/03/350795803.db2.gz IPLPCDDPKPPARC-ZDUSSCGKSA-N 2 2 247.386 2.862 10 0 BFAELP CC(C)(C)[NH+]1CCC(c2ccc[nH+]c2N)CC1 ZINC000616619607 350927338 /nfs/dbraw/zinc/92/73/38/350927338.db2.gz OYZTUYSRYHNUMS-UHFFFAOYSA-N 2 2 233.359 2.642 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000040502041 358493186 /nfs/dbraw/zinc/49/31/86/358493186.db2.gz ZFSMJJUDDVODKR-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000040502041 358493190 /nfs/dbraw/zinc/49/31/90/358493190.db2.gz ZFSMJJUDDVODKR-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CCS[C@H]1CCCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000191491625 355699234 /nfs/dbraw/zinc/69/92/34/355699234.db2.gz UDOSEULAGYYLCS-ZDUSSCGKSA-N 2 2 244.448 2.592 10 0 BFAELP CCS[C@H]1CCCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000191491625 355699237 /nfs/dbraw/zinc/69/92/37/355699237.db2.gz UDOSEULAGYYLCS-ZDUSSCGKSA-N 2 2 244.448 2.592 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000389267463 355943749 /nfs/dbraw/zinc/94/37/49/355943749.db2.gz QDCJBZJWKRRLTK-YUELXQCFSA-N 2 2 236.403 2.663 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000389267463 355943751 /nfs/dbraw/zinc/94/37/51/355943751.db2.gz QDCJBZJWKRRLTK-YUELXQCFSA-N 2 2 236.403 2.663 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000381703579 538468541 /nfs/dbraw/zinc/46/85/41/538468541.db2.gz IUHCLTKEOLKVHS-XQQFMLRXSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000381703579 538468542 /nfs/dbraw/zinc/46/85/42/538468542.db2.gz IUHCLTKEOLKVHS-XQQFMLRXSA-N 2 2 226.408 2.598 10 0 BFAELP C[C@H]1CCC[C@H](C)[NH+]1CC12CCC(CC1)[NH2+]2 ZINC000675056231 538477632 /nfs/dbraw/zinc/47/76/32/538477632.db2.gz MQWKLZHYHOCDCT-FEPKRQSRSA-N 2 2 222.376 2.534 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000389486456 356691177 /nfs/dbraw/zinc/69/11/77/356691177.db2.gz YOOCLAHTOGIUCU-CHWSQXEVSA-N 2 2 238.400 2.883 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000389486456 356691180 /nfs/dbraw/zinc/69/11/80/356691180.db2.gz YOOCLAHTOGIUCU-CHWSQXEVSA-N 2 2 238.400 2.883 10 0 BFAELP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389506716 356694488 /nfs/dbraw/zinc/69/44/88/356694488.db2.gz DFYVCAIDHNCEKJ-MJBXVCDLSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389506716 356694491 /nfs/dbraw/zinc/69/44/91/356694491.db2.gz DFYVCAIDHNCEKJ-MJBXVCDLSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389508195 356695280 /nfs/dbraw/zinc/69/52/80/356695280.db2.gz DNPBJIXCRBXJKX-INIZCTEOSA-N 2 2 244.382 2.748 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389508195 356695285 /nfs/dbraw/zinc/69/52/85/356695285.db2.gz DNPBJIXCRBXJKX-INIZCTEOSA-N 2 2 244.382 2.748 10 0 BFAELP Nc1cc(C[N@@H+]2CCC[C@H]2c2ccco2)cc[nH+]1 ZINC000193350501 357879325 /nfs/dbraw/zinc/87/93/25/357879325.db2.gz ZLFCHHVWUKZZCQ-LBPRGKRZSA-N 2 2 243.310 2.594 10 0 BFAELP Nc1cc(C[N@H+]2CCC[C@H]2c2ccco2)cc[nH+]1 ZINC000193350501 357879329 /nfs/dbraw/zinc/87/93/29/357879329.db2.gz ZLFCHHVWUKZZCQ-LBPRGKRZSA-N 2 2 243.310 2.594 10 0 BFAELP c1ccc2[nH+]c(NCC3CC[NH2+]CC3)ccc2c1 ZINC000044509192 358388869 /nfs/dbraw/zinc/38/88/69/358388869.db2.gz CEFIAHLPESIJGK-UHFFFAOYSA-N 2 2 241.338 2.646 10 0 BFAELP c1ccc(NC[C@@H]2CC[N@@H+](C3CCCC3)C2)[nH+]c1 ZINC000131661336 358687769 /nfs/dbraw/zinc/68/77/69/358687769.db2.gz PHZWSHOCEGKPEU-ZDUSSCGKSA-N 2 2 245.370 2.758 10 0 BFAELP c1ccc(NC[C@@H]2CC[N@H+](C3CCCC3)C2)[nH+]c1 ZINC000131661336 358687771 /nfs/dbraw/zinc/68/77/71/358687771.db2.gz PHZWSHOCEGKPEU-ZDUSSCGKSA-N 2 2 245.370 2.758 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2C)C1 ZINC000399822110 359654823 /nfs/dbraw/zinc/65/48/23/359654823.db2.gz VTAQVWPZVDAHPJ-CYBMUJFWSA-N 2 2 238.400 2.549 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(C)c2C)C1 ZINC000399822110 359654829 /nfs/dbraw/zinc/65/48/29/359654829.db2.gz VTAQVWPZVDAHPJ-CYBMUJFWSA-N 2 2 238.400 2.549 10 0 BFAELP CC(C)(C)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785884 360196322 /nfs/dbraw/zinc/19/63/22/360196322.db2.gz REKANCFJRNDAFC-CQSZACIVSA-N 2 2 238.419 2.983 10 0 BFAELP CC(C)(C)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785884 360196328 /nfs/dbraw/zinc/19/63/28/360196328.db2.gz REKANCFJRNDAFC-CQSZACIVSA-N 2 2 238.419 2.983 10 0 BFAELP CC(C)(C)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785883 360196503 /nfs/dbraw/zinc/19/65/03/360196503.db2.gz REKANCFJRNDAFC-AWEZNQCLSA-N 2 2 238.419 2.983 10 0 BFAELP CC(C)(C)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785883 360196505 /nfs/dbraw/zinc/19/65/05/360196505.db2.gz REKANCFJRNDAFC-AWEZNQCLSA-N 2 2 238.419 2.983 10 0 BFAELP [NH3+]C1(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 ZINC000037616803 181331264 /nfs/dbraw/zinc/33/12/64/181331264.db2.gz QRQSREUVOJWEPV-KBPBESRZSA-N 2 2 236.403 2.770 10 0 BFAELP [NH3+]C1(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 ZINC000037616803 181331266 /nfs/dbraw/zinc/33/12/66/181331266.db2.gz QRQSREUVOJWEPV-KBPBESRZSA-N 2 2 236.403 2.770 10 0 BFAELP [NH3+]CCCc1[nH]cc(-c2ccc(Cl)s2)[nH+]1 ZINC000036874280 181387116 /nfs/dbraw/zinc/38/71/16/181387116.db2.gz QYZNOMRGYWCUIU-UHFFFAOYSA-N 2 2 241.747 2.683 10 0 BFAELP [NH3+]CC[N@H+](Cc1ccccc1F)C1CCCC1 ZINC000032090102 181390772 /nfs/dbraw/zinc/39/07/72/181390772.db2.gz HBGKXCKTHPSTDV-UHFFFAOYSA-N 2 2 236.334 2.529 10 0 BFAELP [NH3+]CC[N@@H+](Cc1ccccc1F)C1CCCC1 ZINC000032090102 181390773 /nfs/dbraw/zinc/39/07/73/181390773.db2.gz HBGKXCKTHPSTDV-UHFFFAOYSA-N 2 2 236.334 2.529 10 0 BFAELP c1cc2cc[nH+]cc2c(NC2=[NH+]CCC2)c1 ZINC000116818577 370838707 /nfs/dbraw/zinc/83/87/07/370838707.db2.gz YPMQKYTUALTTCT-UHFFFAOYSA-N 2 2 211.268 2.839 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CCCC1 ZINC000382808285 367559196 /nfs/dbraw/zinc/55/91/96/367559196.db2.gz HHKMVFJGXVNBFD-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CCCC1 ZINC000382808285 367559198 /nfs/dbraw/zinc/55/91/98/367559198.db2.gz HHKMVFJGXVNBFD-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H](C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C ZINC000132306646 371791370 /nfs/dbraw/zinc/79/13/70/371791370.db2.gz ILIVLFKRENXGTA-ZFWWWQNUSA-N 2 2 234.387 2.753 10 0 BFAELP CC[C@H](C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C ZINC000132306646 371791373 /nfs/dbraw/zinc/79/13/73/371791373.db2.gz ILIVLFKRENXGTA-ZFWWWQNUSA-N 2 2 234.387 2.753 10 0 BFAELP CC[C@H](C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C ZINC000132306216 371791953 /nfs/dbraw/zinc/79/19/53/371791953.db2.gz ILIVLFKRENXGTA-DZGCQCFKSA-N 2 2 234.387 2.753 10 0 BFAELP CC[C@H](C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C ZINC000132306216 371791959 /nfs/dbraw/zinc/79/19/59/371791959.db2.gz ILIVLFKRENXGTA-DZGCQCFKSA-N 2 2 234.387 2.753 10 0 BFAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226026 169086371 /nfs/dbraw/zinc/08/63/71/169086371.db2.gz ZMUSIVGUKBUGIE-LBPRGKRZSA-N 2 2 226.751 2.682 10 0 BFAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226026 169086374 /nfs/dbraw/zinc/08/63/74/169086374.db2.gz ZMUSIVGUKBUGIE-LBPRGKRZSA-N 2 2 226.751 2.682 10 0 BFAELP CCC[N@H+]([C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000037096942 169089594 /nfs/dbraw/zinc/08/95/94/169089594.db2.gz RPLHTHHUVVGJNI-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[N@@H+]([C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000037096942 169089596 /nfs/dbraw/zinc/08/95/96/169089596.db2.gz RPLHTHHUVVGJNI-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccs1 ZINC000019257216 169150056 /nfs/dbraw/zinc/15/00/56/169150056.db2.gz DVWSNGHAZHFHJN-NSHDSACASA-N 2 2 226.389 2.870 10 0 BFAELP CCC[NH+](CCC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000023070897 169150804 /nfs/dbraw/zinc/15/08/04/169150804.db2.gz VUOJECIVRFASCS-FRRDWIJNSA-N 2 2 212.381 2.624 10 0 BFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccccc1F ZINC000038916553 169152603 /nfs/dbraw/zinc/15/26/03/169152603.db2.gz IYECSGFAFBFVML-CQSZACIVSA-N 2 2 238.350 2.948 10 0 BFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccsc1 ZINC000022167732 169152831 /nfs/dbraw/zinc/15/28/31/169152831.db2.gz YZVOXKVETAOHKB-GFCCVEGCSA-N 2 2 226.389 2.870 10 0 BFAELP CCC[N@H+](CC[NH3+])Cc1ccc(C(C)C)cc1 ZINC000032089903 169157381 /nfs/dbraw/zinc/15/73/81/169157381.db2.gz PDSHZUGKLWMDDG-UHFFFAOYSA-N 2 2 234.387 2.981 10 0 BFAELP CCC[N@@H+](CC[NH3+])Cc1ccc(C(C)C)cc1 ZINC000032089903 169157382 /nfs/dbraw/zinc/15/73/82/169157382.db2.gz PDSHZUGKLWMDDG-UHFFFAOYSA-N 2 2 234.387 2.981 10 0 BFAELP CCC[N@H+]([C@@H](C)c1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000104333122 169181433 /nfs/dbraw/zinc/18/14/33/169181433.db2.gz AMRRADUHVCNBQI-ZFWWWQNUSA-N 2 2 247.386 2.607 10 0 BFAELP CCC[N@@H+]([C@@H](C)c1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000104333122 169181434 /nfs/dbraw/zinc/18/14/34/169181434.db2.gz AMRRADUHVCNBQI-ZFWWWQNUSA-N 2 2 247.386 2.607 10 0 BFAELP CCC[NH+]1CCC(Nc2ccc(C)c[nH+]2)CC1 ZINC000049558068 169189903 /nfs/dbraw/zinc/18/99/03/169189903.db2.gz QNOIJLIWGFEDPE-UHFFFAOYSA-N 2 2 233.359 2.676 10 0 BFAELP CCC[NH+]1CCN(C(=[NH2+])C2CCCCC2)CC1 ZINC000062989551 169201120 /nfs/dbraw/zinc/20/11/20/169201120.db2.gz RJQXHXJTDGIROJ-UHFFFAOYSA-N 2 2 237.391 2.572 10 0 BFAELP CCC[NH2+]CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000042410076 169261112 /nfs/dbraw/zinc/26/11/12/169261112.db2.gz UUXOKYUYKZAVDJ-UHFFFAOYSA-N 2 2 231.343 2.653 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000035586359 169290058 /nfs/dbraw/zinc/29/00/58/169290058.db2.gz NKOZYJBDXVADRE-CYBMUJFWSA-N 2 2 229.327 2.693 10 0 BFAELP CCC[NH2+]C[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000052424543 169263813 /nfs/dbraw/zinc/26/38/13/169263813.db2.gz LMMMYQUBPSLQAI-AWEZNQCLSA-N 2 2 234.387 2.815 10 0 BFAELP CCC[NH2+]C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424543 169263814 /nfs/dbraw/zinc/26/38/14/169263814.db2.gz LMMMYQUBPSLQAI-AWEZNQCLSA-N 2 2 234.387 2.815 10 0 BFAELP CCC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096518 169264599 /nfs/dbraw/zinc/26/45/99/169264599.db2.gz RZJFXZSZAUPPGS-OAHLLOKOSA-N 2 2 232.371 2.823 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccoc1C ZINC000035586304 169279120 /nfs/dbraw/zinc/27/91/20/169279120.db2.gz GTNXLRXLPUHBQJ-LBPRGKRZSA-N 2 2 233.315 2.595 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000048266203 169281686 /nfs/dbraw/zinc/28/16/86/169281686.db2.gz GPOUXTIOONYDBK-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000048266203 169281688 /nfs/dbraw/zinc/28/16/88/169281688.db2.gz GPOUXTIOONYDBK-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CCC[NH2+][C@@H]1CCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050911105 169281998 /nfs/dbraw/zinc/28/19/98/169281998.db2.gz QNPUUZRYRQHCAR-CVEARBPZSA-N 2 2 244.382 2.923 10 0 BFAELP CCCOc1cccc([C@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000032022227 169325695 /nfs/dbraw/zinc/32/56/95/169325695.db2.gz BAKBJVRYECVMKA-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP CCC[C@@H](C)[NH2+]CC[N@H+](CCOC)[C@@H](C)CC ZINC000053440229 169369793 /nfs/dbraw/zinc/36/97/93/169369793.db2.gz MFSJGMJSXNQTPA-KGLIPLIRSA-N 2 2 244.423 2.512 10 0 BFAELP CCC[C@@H](C)[NH2+]CC[N@@H+](CCOC)[C@@H](C)CC ZINC000053440229 169369795 /nfs/dbraw/zinc/36/97/95/169369795.db2.gz MFSJGMJSXNQTPA-KGLIPLIRSA-N 2 2 244.423 2.512 10 0 BFAELP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](CC)Cc1ccncc1 ZINC000042515699 169392760 /nfs/dbraw/zinc/39/27/60/169392760.db2.gz QHDUIPVQFZJELG-CABCVRRESA-N 2 2 249.402 2.810 10 0 BFAELP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](CC)Cc1ccncc1 ZINC000042515699 169392762 /nfs/dbraw/zinc/39/27/62/169392762.db2.gz QHDUIPVQFZJELG-CABCVRRESA-N 2 2 249.402 2.810 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC1 ZINC000178681054 385311137 /nfs/dbraw/zinc/31/11/37/385311137.db2.gz PLSSELZQBODFJR-GXTWGEPZSA-N 2 2 226.408 2.741 10 0 BFAELP c1ccc([C@@H]2CCCC[N@H+]2[C@H]2CC[NH2+]C2)cc1 ZINC000575332130 386682284 /nfs/dbraw/zinc/68/22/84/386682284.db2.gz QQVJBDKBHYPDFV-GJZGRUSLSA-N 2 2 230.355 2.576 10 0 BFAELP c1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[NH2+]C2)cc1 ZINC000575332130 386682293 /nfs/dbraw/zinc/68/22/93/386682293.db2.gz QQVJBDKBHYPDFV-GJZGRUSLSA-N 2 2 230.355 2.576 10 0 BFAELP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397660200 386671113 /nfs/dbraw/zinc/67/11/13/386671113.db2.gz NPSBYMMQXRXLMR-UPJWGTAASA-N 2 2 235.375 2.686 10 0 BFAELP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397660197 386677096 /nfs/dbraw/zinc/67/70/96/386677096.db2.gz NPSBYMMQXRXLMR-AGIUHOORSA-N 2 2 235.375 2.686 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000396541554 386771128 /nfs/dbraw/zinc/77/11/28/386771128.db2.gz ARMZEFMJSRMXAO-COPLHBTASA-N 2 2 236.334 2.617 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396547600 386772368 /nfs/dbraw/zinc/77/23/68/386772368.db2.gz NPORIEYUPCMGRH-GZBFAFLISA-N 2 2 232.371 2.786 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396547611 386773171 /nfs/dbraw/zinc/77/31/71/386773171.db2.gz NPORIEYUPCMGRH-YDHLFZDLSA-N 2 2 232.371 2.786 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000396555677 386774687 /nfs/dbraw/zinc/77/46/87/386774687.db2.gz GISFWSGJGHRADO-MJVIPROJSA-N 2 2 236.334 2.617 10 0 BFAELP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)o1 ZINC000396587416 386778210 /nfs/dbraw/zinc/77/82/10/386778210.db2.gz RTOWBLUQMFDLNU-COPLHBTASA-N 2 2 236.359 2.688 10 0 BFAELP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)o1 ZINC000396587424 386779278 /nfs/dbraw/zinc/77/92/78/386779278.db2.gz RTOWBLUQMFDLNU-MISXGVKJSA-N 2 2 236.359 2.688 10 0 BFAELP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)o1 ZINC000396587430 386779345 /nfs/dbraw/zinc/77/93/45/386779345.db2.gz RTOWBLUQMFDLNU-WDMOLILDSA-N 2 2 236.359 2.688 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccs1 ZINC000396685343 387482779 /nfs/dbraw/zinc/48/27/79/387482779.db2.gz XXERAUXLXDQRHM-GRYCIOLGSA-N 2 2 238.400 2.929 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C1CCC1 ZINC000322409091 388434381 /nfs/dbraw/zinc/43/43/81/388434381.db2.gz VIQJUIBZPFHAAB-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000322409091 388434382 /nfs/dbraw/zinc/43/43/82/388434382.db2.gz VIQJUIBZPFHAAB-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)C)C1 ZINC000328174072 388581321 /nfs/dbraw/zinc/58/13/21/388581321.db2.gz KSOFKYNDAAMJLR-KKUMJFAQSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)C)C1 ZINC000328174072 388581322 /nfs/dbraw/zinc/58/13/22/388581322.db2.gz KSOFKYNDAAMJLR-KKUMJFAQSA-N 2 2 238.419 2.885 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000247940546 388670523 /nfs/dbraw/zinc/67/05/23/388670523.db2.gz CYYKLSOZIHMJDI-NFAWXSAZSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000247940546 388670524 /nfs/dbraw/zinc/67/05/24/388670524.db2.gz CYYKLSOZIHMJDI-NFAWXSAZSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000247883516 388670566 /nfs/dbraw/zinc/67/05/66/388670566.db2.gz CJTFNCNIEXBVDD-APIJFGDWSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000247883516 388670569 /nfs/dbraw/zinc/67/05/69/388670569.db2.gz CJTFNCNIEXBVDD-APIJFGDWSA-N 2 2 238.419 2.883 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)CC)C1 ZINC000248373885 388677591 /nfs/dbraw/zinc/67/75/91/388677591.db2.gz MFSCGPIWPMWLNA-CHWSQXEVSA-N 2 2 235.375 2.881 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)CC)C1 ZINC000248373885 388677593 /nfs/dbraw/zinc/67/75/93/388677593.db2.gz MFSCGPIWPMWLNA-CHWSQXEVSA-N 2 2 235.375 2.881 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247156406 388659819 /nfs/dbraw/zinc/65/98/19/388659819.db2.gz TXKRHQGJUZSHIF-RFQIPJPRSA-N 2 2 226.408 2.739 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247156406 388659821 /nfs/dbraw/zinc/65/98/21/388659821.db2.gz TXKRHQGJUZSHIF-RFQIPJPRSA-N 2 2 226.408 2.739 10 0 BFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000248989544 388702943 /nfs/dbraw/zinc/70/29/43/388702943.db2.gz KULPIHFBIXWFEE-GZBFAFLISA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000248989544 388702945 /nfs/dbraw/zinc/70/29/45/388702945.db2.gz KULPIHFBIXWFEE-GZBFAFLISA-N 2 2 238.419 2.883 10 0 BFAELP CCC1(CC)CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000062951162 132388453 /nfs/dbraw/zinc/38/84/53/132388453.db2.gz SMAXCSLWVSQZFB-UHFFFAOYSA-N 2 2 247.386 2.947 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000179572737 134321857 /nfs/dbraw/zinc/32/18/57/134321857.db2.gz VAVHYMUTRDLGMI-ZDUSSCGKSA-N 2 2 233.359 2.635 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000179572737 134321858 /nfs/dbraw/zinc/32/18/58/134321858.db2.gz VAVHYMUTRDLGMI-ZDUSSCGKSA-N 2 2 233.359 2.635 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000222015466 134329429 /nfs/dbraw/zinc/32/94/29/134329429.db2.gz DDSFIJGMNBRCKF-CBBWQLFWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000222015466 134329430 /nfs/dbraw/zinc/32/94/30/134329430.db2.gz DDSFIJGMNBRCKF-CBBWQLFWSA-N 2 2 238.419 2.885 10 0 BFAELP c1coc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182785660 134348143 /nfs/dbraw/zinc/34/81/43/134348143.db2.gz LNUBJTQJOGSPOW-CYBMUJFWSA-N 2 2 245.326 2.703 10 0 BFAELP c1coc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182785660 134348144 /nfs/dbraw/zinc/34/81/44/134348144.db2.gz LNUBJTQJOGSPOW-CYBMUJFWSA-N 2 2 245.326 2.703 10 0 BFAELP C[C@@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000226270868 134362564 /nfs/dbraw/zinc/36/25/64/134362564.db2.gz DRDHLDXJDRCCLN-AGIUHOORSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000249615443 135041970 /nfs/dbraw/zinc/04/19/70/135041970.db2.gz YIHBXWWYVCPVAO-HIFRSBDPSA-N 2 2 232.371 2.822 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000249615443 135041972 /nfs/dbraw/zinc/04/19/72/135041972.db2.gz YIHBXWWYVCPVAO-HIFRSBDPSA-N 2 2 232.371 2.822 10 0 BFAELP CC[C@H]1CC[C@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000164483586 135366498 /nfs/dbraw/zinc/36/64/98/135366498.db2.gz STVXYNJYIYATRW-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000164483586 135366499 /nfs/dbraw/zinc/36/64/99/135366499.db2.gz STVXYNJYIYATRW-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP Cc1ccc(NCC[NH+](C(C)C)C(C)C)[nH+]c1 ZINC000020545302 410175116 /nfs/dbraw/zinc/17/51/16/410175116.db2.gz FDFYBGPUOXYSIG-UHFFFAOYSA-N 2 2 235.375 2.921 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000049197001 167394563 /nfs/dbraw/zinc/39/45/63/167394563.db2.gz VHSPYGSXIHLLFC-GDBMZVCRSA-N 2 2 248.414 2.966 10 0 BFAELP CC(C)[C@@H](C[NH3+])[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062013555 167396683 /nfs/dbraw/zinc/39/66/83/167396683.db2.gz RNMDGGQSMZUZCQ-SMDDNHRTSA-N 2 2 238.350 2.802 10 0 BFAELP CC(C)[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062013555 167396687 /nfs/dbraw/zinc/39/66/87/167396687.db2.gz RNMDGGQSMZUZCQ-SMDDNHRTSA-N 2 2 238.350 2.802 10 0 BFAELP C[C@H]1C[C@H]1C[N@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000104408465 168162825 /nfs/dbraw/zinc/16/28/25/168162825.db2.gz BJTFTYSLKQROTO-GQKFXUNGSA-N 2 2 238.419 2.743 10 0 BFAELP C[C@H]1C[C@H]1C[N@@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000104408465 168162826 /nfs/dbraw/zinc/16/28/26/168162826.db2.gz BJTFTYSLKQROTO-GQKFXUNGSA-N 2 2 238.419 2.743 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccs2)n1C ZINC000657290723 411451228 /nfs/dbraw/zinc/45/12/28/411451228.db2.gz MOFSGBHEEWVAMD-SECBINFHSA-N 2 2 235.356 2.641 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000328527237 170022214 /nfs/dbraw/zinc/02/22/14/170022214.db2.gz VCDOCBUIBLPUSO-FZMZJTMJSA-N 2 2 236.334 2.571 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000328527237 170022215 /nfs/dbraw/zinc/02/22/15/170022215.db2.gz VCDOCBUIBLPUSO-FZMZJTMJSA-N 2 2 236.334 2.571 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000328318232 170022245 /nfs/dbraw/zinc/02/22/45/170022245.db2.gz DBUZREAFHOBBQK-JSGCOSHPSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000328318232 170022246 /nfs/dbraw/zinc/02/22/46/170022246.db2.gz DBUZREAFHOBBQK-JSGCOSHPSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)o2)CC1 ZINC000049216731 170109962 /nfs/dbraw/zinc/10/99/62/170109962.db2.gz QJDCDKONMQMLLA-GFCCVEGCSA-N 2 2 236.359 2.723 10 0 BFAELP CC[NH2+]CC(C)(C)C[NH+]1Cc2ccccc2C1 ZINC000051249413 170110190 /nfs/dbraw/zinc/11/01/90/170110190.db2.gz CZVSSBUWJYCDLK-UHFFFAOYSA-N 2 2 232.371 2.638 10 0 BFAELP CC[NH2+]CCCNc1ccc2ccccc2[nH+]1 ZINC000038043488 170113004 /nfs/dbraw/zinc/11/30/04/170113004.db2.gz YPUUDHSGYWXELM-UHFFFAOYSA-N 2 2 229.327 2.646 10 0 BFAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000053650758 170122538 /nfs/dbraw/zinc/12/25/38/170122538.db2.gz CREWYVSAJDJTQR-MRXNPFEDSA-N 2 2 246.398 2.959 10 0 BFAELP CC[NH2+]C[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000053650758 170122540 /nfs/dbraw/zinc/12/25/40/170122540.db2.gz CREWYVSAJDJTQR-MRXNPFEDSA-N 2 2 246.398 2.959 10 0 BFAELP CC[NH2+]C[C@H](c1ccccc1)n1c[nH+]c(C)c1C ZINC000052593801 170122750 /nfs/dbraw/zinc/12/27/50/170122750.db2.gz SPAACNYOBAPUJH-OAHLLOKOSA-N 2 2 243.354 2.699 10 0 BFAELP CC[NH2+][C@@H](CC)Cn1c(CC)[nH+]c2ccccc21 ZINC000062807496 170144378 /nfs/dbraw/zinc/14/43/78/170144378.db2.gz BFEPHCTUEQLXOV-LBPRGKRZSA-N 2 2 245.370 2.987 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(C)cc(C)c1 ZINC000035570303 170146529 /nfs/dbraw/zinc/14/65/29/170146529.db2.gz SEKFGIQEEXMGCJ-AWEZNQCLSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(C)c1 ZINC000035570497 170146849 /nfs/dbraw/zinc/14/68/49/170146849.db2.gz ZKYPURXRESIYEH-AWEZNQCLSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1n1cc[nH+]c1 ZINC000043992911 170150485 /nfs/dbraw/zinc/15/04/85/170150485.db2.gz YLTPYSSKPLTECW-OLZOCXBDSA-N 2 2 221.348 2.757 10 0 BFAELP CC[C@@H]1CC[N@H+](CC2CCCCC2)CC[NH2+]1 ZINC000049661959 171008036 /nfs/dbraw/zinc/00/80/36/171008036.db2.gz YIJXPQZARYZUCM-CQSZACIVSA-N 2 2 224.392 2.641 10 0 BFAELP CC[C@@H]1CC[N@@H+](CC2CCCCC2)CC[NH2+]1 ZINC000049661959 171008037 /nfs/dbraw/zinc/00/80/37/171008037.db2.gz YIJXPQZARYZUCM-CQSZACIVSA-N 2 2 224.392 2.641 10 0 BFAELP CC[C@@H]1CC[N@@H+](C2CCC(C)CC2)CC[NH2+]1 ZINC000049661734 171008206 /nfs/dbraw/zinc/00/82/06/171008206.db2.gz YFKKRONZOZYXGZ-ROKHWSDSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[N@H+](C2CCC(C)CC2)CC[NH2+]1 ZINC000049661734 171008208 /nfs/dbraw/zinc/00/82/08/171008208.db2.gz YFKKRONZOZYXGZ-ROKHWSDSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+]1CCCC1 ZINC000019807627 171299578 /nfs/dbraw/zinc/29/95/78/171299578.db2.gz DNGKVUOUBOCLSH-QWHCGFSZSA-N 2 2 212.381 2.626 10 0 BFAELP CC[C@H](C)N(C)c1[nH+]c(C)cc(C)c1C[NH2+]C ZINC000051438575 171309038 /nfs/dbraw/zinc/30/90/38/171309038.db2.gz JCIGPDHTRHGFAM-LBPRGKRZSA-N 2 2 235.375 2.653 10 0 BFAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546010 171309871 /nfs/dbraw/zinc/30/98/71/171309871.db2.gz GMJTVPKOEJCQHW-FZMZJTMJSA-N 2 2 238.350 2.864 10 0 BFAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546010 171309873 /nfs/dbraw/zinc/30/98/73/171309873.db2.gz GMJTVPKOEJCQHW-FZMZJTMJSA-N 2 2 238.350 2.864 10 0 BFAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1Cl ZINC000032090466 171313684 /nfs/dbraw/zinc/31/36/84/171313684.db2.gz JLURYQREBXVQOA-NSHDSACASA-N 2 2 240.778 2.899 10 0 BFAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1Cl ZINC000032090466 171313686 /nfs/dbraw/zinc/31/36/86/171313686.db2.gz JLURYQREBXVQOA-NSHDSACASA-N 2 2 240.778 2.899 10 0 BFAELP CCc1[nH]c2ccc(CCCCC[NH3+])cc2[nH+]1 ZINC000107288892 172010267 /nfs/dbraw/zinc/01/02/67/172010267.db2.gz UTXQWHWRDLWPKK-UHFFFAOYSA-N 2 2 231.343 2.797 10 0 BFAELP CCc1[nH]c2cc(CCCCC[NH3+])ccc2[nH+]1 ZINC000107288892 172010269 /nfs/dbraw/zinc/01/02/69/172010269.db2.gz UTXQWHWRDLWPKK-UHFFFAOYSA-N 2 2 231.343 2.797 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C1CCCC1 ZINC000051439140 173384023 /nfs/dbraw/zinc/38/40/23/173384023.db2.gz PSVGEWPFUHABBZ-UHFFFAOYSA-N 2 2 247.386 2.797 10 0 BFAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043096742 175348639 /nfs/dbraw/zinc/34/86/39/175348639.db2.gz ZSJSGYGWRHQFKL-SWLSCSKDSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@@H]([NH3+])[C@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000061819302 176011196 /nfs/dbraw/zinc/01/11/96/176011196.db2.gz DJYDJCXRBLOJKH-OLZOCXBDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H](c1cccs1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539547 176033731 /nfs/dbraw/zinc/03/37/31/176033731.db2.gz QKUAWXYNIWEFTB-WDEREUQCSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H](c1cccs1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539547 176033732 /nfs/dbraw/zinc/03/37/32/176033732.db2.gz QKUAWXYNIWEFTB-WDEREUQCSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)CC2CC2)C1 ZINC000037925342 176052630 /nfs/dbraw/zinc/05/26/30/176052630.db2.gz LVRPBWIBNHNQJW-DOMZBBRYSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)CC2CC2)C1 ZINC000037925342 176052631 /nfs/dbraw/zinc/05/26/31/176052631.db2.gz LVRPBWIBNHNQJW-DOMZBBRYSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606787 176078942 /nfs/dbraw/zinc/07/89/42/176078942.db2.gz QGPJSPQTDZLCDY-AGIUHOORSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606787 176078943 /nfs/dbraw/zinc/07/89/43/176078943.db2.gz QGPJSPQTDZLCDY-AGIUHOORSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047902 176086319 /nfs/dbraw/zinc/08/63/19/176086319.db2.gz QWEMMPUYKKZEHM-BNOWGMLFSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047902 176086321 /nfs/dbraw/zinc/08/63/21/176086321.db2.gz QWEMMPUYKKZEHM-BNOWGMLFSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@]1(C[NH3+])[NH+]1CCCCCC1 ZINC000019807726 176090452 /nfs/dbraw/zinc/09/04/52/176090452.db2.gz CNWKKDXQLZKBSS-ZIAGYGMSSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000104359348 176103671 /nfs/dbraw/zinc/10/36/71/176103671.db2.gz UXYHMACUQYDIBD-UMVBOHGHSA-N 2 2 247.386 2.592 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCC[C@@H](C)CC1 ZINC000104359348 176103672 /nfs/dbraw/zinc/10/36/72/176103672.db2.gz UXYHMACUQYDIBD-UMVBOHGHSA-N 2 2 247.386 2.592 10 0 BFAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000042278879 176180508 /nfs/dbraw/zinc/18/05/08/176180508.db2.gz AGTQYQCTBAOQPI-MFKMUULPSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000042278879 176180509 /nfs/dbraw/zinc/18/05/09/176180509.db2.gz AGTQYQCTBAOQPI-MFKMUULPSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000336440594 176208534 /nfs/dbraw/zinc/20/85/34/176208534.db2.gz JMAMNAIPYLJFEG-DGCLKSJQSA-N 2 2 233.359 2.778 10 0 BFAELP C[C@@H]1C[NH2+]CC[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437112 176325394 /nfs/dbraw/zinc/32/53/94/176325394.db2.gz GTRTYCJABHDMPS-GFCCVEGCSA-N 2 2 226.408 2.743 10 0 BFAELP C[C@@H]1C[NH2+]CC[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437112 176325396 /nfs/dbraw/zinc/32/53/96/176325396.db2.gz GTRTYCJABHDMPS-GFCCVEGCSA-N 2 2 226.408 2.743 10 0 BFAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])C2CCCCC2)C1 ZINC000019803012 176361883 /nfs/dbraw/zinc/36/18/83/176361883.db2.gz ZNXQIBGAFLGWAN-NFAWXSAZSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000019266334 177078744 /nfs/dbraw/zinc/07/87/44/177078744.db2.gz JGVJZVCQNRMHMZ-JSGCOSHPSA-N 2 2 218.344 2.561 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccccc1 ZINC000019266334 177078745 /nfs/dbraw/zinc/07/87/45/177078745.db2.gz JGVJZVCQNRMHMZ-JSGCOSHPSA-N 2 2 218.344 2.561 10 0 BFAELP C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047901 177080719 /nfs/dbraw/zinc/08/07/19/177080719.db2.gz QWEMMPUYKKZEHM-UBHSHLNASA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047901 177080720 /nfs/dbraw/zinc/08/07/20/177080720.db2.gz QWEMMPUYKKZEHM-UBHSHLNASA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccco1 ZINC000035701631 177084859 /nfs/dbraw/zinc/08/48/59/177084859.db2.gz NPXLXQYRYPWVMY-JSGCOSHPSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccco1 ZINC000035701631 177084861 /nfs/dbraw/zinc/08/48/61/177084861.db2.gz NPXLXQYRYPWVMY-JSGCOSHPSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)CC1CCC1 ZINC000061455524 177090021 /nfs/dbraw/zinc/09/00/21/177090021.db2.gz OBEWZWWXLVWHIY-GXTWGEPZSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)CC1CCC1 ZINC000061455524 177090024 /nfs/dbraw/zinc/09/00/24/177090024.db2.gz OBEWZWWXLVWHIY-GXTWGEPZSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1CC1([NH3+])CCCCC1 ZINC000020074013 177115725 /nfs/dbraw/zinc/11/57/25/177115725.db2.gz FGBXBJMBHUKPKM-BETUJISGSA-N 2 2 224.392 2.911 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1([NH3+])CCCCC1 ZINC000020074013 177115727 /nfs/dbraw/zinc/11/57/27/177115727.db2.gz FGBXBJMBHUKPKM-BETUJISGSA-N 2 2 224.392 2.911 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000049327830 177137049 /nfs/dbraw/zinc/13/70/49/177137049.db2.gz FAJAIYBFXFUFGT-MJBXVCDLSA-N 2 2 235.375 2.688 10 0 BFAELP C[C@H]1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000336440584 177203322 /nfs/dbraw/zinc/20/33/22/177203322.db2.gz JMAMNAIPYLJFEG-AAEUAGOBSA-N 2 2 233.359 2.778 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC000034790286 177314566 /nfs/dbraw/zinc/31/45/66/177314566.db2.gz CGRJLTGFJJIWHY-XGUBFFRZSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC000034790286 177314567 /nfs/dbraw/zinc/31/45/67/177314567.db2.gz CGRJLTGFJJIWHY-XGUBFFRZSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023069303 177359116 /nfs/dbraw/zinc/35/91/16/177359116.db2.gz XPLVMAQLUPYSMC-XDQVBPFNSA-N 2 2 224.392 2.624 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811629 226351900 /nfs/dbraw/zinc/35/19/00/226351900.db2.gz YOUNPUBBXRHTLW-GUTXKFCHSA-N 2 2 232.371 2.786 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1 ZINC000396541561 262805408 /nfs/dbraw/zinc/80/54/08/262805408.db2.gz ARMZEFMJSRMXAO-WDMOLILDSA-N 2 2 236.334 2.617 10 0 BFAELP CCCc1[nH+]c2ccccc2n1C[C@H]1CC[NH2+]C1 ZINC000163553152 487744692 /nfs/dbraw/zinc/74/46/92/487744692.db2.gz GNTXCQJNTXTWHA-LBPRGKRZSA-N 2 2 243.354 2.598 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000675725798 487770429 /nfs/dbraw/zinc/77/04/29/487770429.db2.gz ITZIEVBXNHTVHJ-DVOMOZLQSA-N 2 2 246.398 2.850 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000675725798 487770435 /nfs/dbraw/zinc/77/04/35/487770435.db2.gz ITZIEVBXNHTVHJ-DVOMOZLQSA-N 2 2 246.398 2.850 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000675761740 487775631 /nfs/dbraw/zinc/77/56/31/487775631.db2.gz IYGMHRSETQJIJI-OFQRWUPVSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000675761740 487775635 /nfs/dbraw/zinc/77/56/35/487775635.db2.gz IYGMHRSETQJIJI-OFQRWUPVSA-N 2 2 246.398 2.904 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCCCCC2)C1 ZINC000309918123 527974334 /nfs/dbraw/zinc/97/43/34/527974334.db2.gz QMYCZVIHIOWJFP-GXTWGEPZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCCCCC2)C1 ZINC000309918123 527974337 /nfs/dbraw/zinc/97/43/37/527974337.db2.gz QMYCZVIHIOWJFP-GXTWGEPZSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CCC1 ZINC000324700762 323263322 /nfs/dbraw/zinc/26/33/22/323263322.db2.gz YELFVDDKIXWQCK-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CCC1 ZINC000324700762 323263325 /nfs/dbraw/zinc/26/33/25/323263325.db2.gz YELFVDDKIXWQCK-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000488423069 533728644 /nfs/dbraw/zinc/72/86/44/533728644.db2.gz ZWXLSJLMNPVCOL-YUELXQCFSA-N 2 2 232.371 2.535 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000252199907 535304538 /nfs/dbraw/zinc/30/45/38/535304538.db2.gz WCUFQCOCAVOLFU-MELADBBJSA-N 2 2 226.408 2.741 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000252199906 535305111 /nfs/dbraw/zinc/30/51/11/535305111.db2.gz WCUFQCOCAVOLFU-BFHYXJOUSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@H+](CC(C)C)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000669381397 566427256 /nfs/dbraw/zinc/42/72/56/566427256.db2.gz IFDDITBCRYEKNT-MJBXVCDLSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+](CC(C)C)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000669381397 566427262 /nfs/dbraw/zinc/42/72/62/566427262.db2.gz IFDDITBCRYEKNT-MJBXVCDLSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@H+](CC(C)C)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000669381396 566427339 /nfs/dbraw/zinc/42/73/39/566427339.db2.gz IFDDITBCRYEKNT-MCIONIFRSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+](CC(C)C)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000669381396 566427341 /nfs/dbraw/zinc/42/73/41/566427341.db2.gz IFDDITBCRYEKNT-MCIONIFRSA-N 2 2 226.408 2.741 10 0 BFAELP CCCCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126428 582500440 /nfs/dbraw/zinc/50/04/40/582500440.db2.gz FRHFEFLAFIBHIY-OAHLLOKOSA-N 2 2 236.403 2.737 10 0 BFAELP CCCCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126428 582500443 /nfs/dbraw/zinc/50/04/43/582500443.db2.gz FRHFEFLAFIBHIY-OAHLLOKOSA-N 2 2 236.403 2.737 10 0 BFAELP C[C@@H]1C[C@@H](c2cscc2C(F)F)[NH2+]C[C@@H]1[NH3+] ZINC000757210127 586438556 /nfs/dbraw/zinc/43/85/56/586438556.db2.gz AIZBIXKDIBORII-UASFKTIASA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757211793 586438837 /nfs/dbraw/zinc/43/88/37/586438837.db2.gz ITYXKLYYGIAZOI-UGFHNGPFSA-N 2 2 244.382 2.878 10 0 BFAELP C[C@@H]1C[NH2+][C@H](c2ccc(C3(C)CC3)cc2)[C@@H]([NH3+])C1 ZINC000757216985 586441167 /nfs/dbraw/zinc/44/11/67/586441167.db2.gz RAJAOXCPAGRPOB-TUKIKUTGSA-N 2 2 244.382 2.736 10 0 BFAELP C[C@@H]1CC[NH2+][C@H](c2cscc2C(F)F)[C@H]1[NH3+] ZINC000757236230 586443539 /nfs/dbraw/zinc/44/35/39/586443539.db2.gz NPXUKCMINMYJPO-WHFVKQHSSA-N 2 2 246.326 2.684 10 0 BFAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCC(C)C)C1 ZINC000309651867 633219148 /nfs/dbraw/zinc/21/91/48/633219148.db2.gz OIPDVPQRPLTECJ-KGLIPLIRSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCC(C)C)C1 ZINC000309651867 633219152 /nfs/dbraw/zinc/21/91/52/633219152.db2.gz OIPDVPQRPLTECJ-KGLIPLIRSA-N 2 2 226.408 2.743 10 0 BFAELP Cc1cc([N@@H+](C)CCC(C)C)ccc1CC[NH3+] ZINC000104258272 178099018 /nfs/dbraw/zinc/09/90/18/178099018.db2.gz VQSFMVCEZSGXLS-UHFFFAOYSA-N 2 2 234.387 2.979 10 0 BFAELP Cc1cc([N@H+](C)CCC(C)C)ccc1CC[NH3+] ZINC000104258272 178099020 /nfs/dbraw/zinc/09/90/20/178099020.db2.gz VQSFMVCEZSGXLS-UHFFFAOYSA-N 2 2 234.387 2.979 10 0 BFAELP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C ZINC000336747719 398195361 /nfs/dbraw/zinc/19/53/61/398195361.db2.gz XMFWBBBAEVRZLX-LBPRGKRZSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564190 178106440 /nfs/dbraw/zinc/10/64/40/178106440.db2.gz OJDDTZJAADFNCL-HUUCEWRRSA-N 2 2 245.370 2.616 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564190 178106442 /nfs/dbraw/zinc/10/64/42/178106442.db2.gz OJDDTZJAADFNCL-HUUCEWRRSA-N 2 2 245.370 2.616 10 0 BFAELP Cc1cc([C@H](C[NH3+])[NH+]2CCCCC2)ccc1F ZINC000050545861 178260807 /nfs/dbraw/zinc/26/08/07/178260807.db2.gz VYMIMPZYBQKTSB-AWEZNQCLSA-N 2 2 236.334 2.620 10 0 BFAELP Cc1cc2[nH+]cn([C@H]3CC[C@H](C)[NH2+]C3)c2cc1C ZINC000062949151 178304804 /nfs/dbraw/zinc/30/48/04/178304804.db2.gz ZRMMMGXDCOMECT-STQMWFEESA-N 2 2 243.354 2.966 10 0 BFAELP Cc1cc2[nH+]cn([C@H]3CC[C@@H](C)[NH2+]C3)c2cc1C ZINC000062949153 178305930 /nfs/dbraw/zinc/30/59/30/178305930.db2.gz ZRMMMGXDCOMECT-OLZOCXBDSA-N 2 2 243.354 2.966 10 0 BFAELP Cc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1 ZINC000036874259 178318079 /nfs/dbraw/zinc/31/80/79/178318079.db2.gz XPAWKDDCNKLSFG-UHFFFAOYSA-N 2 2 241.338 2.852 10 0 BFAELP C1=[NH+]C2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000149808238 342794812 /nfs/dbraw/zinc/79/48/12/342794812.db2.gz IPOPCTCFALUKMS-UHFFFAOYSA-N 2 2 228.339 2.886 10 0 BFAELP C[C@@H]1[C@H]([NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000211623935 345737397 /nfs/dbraw/zinc/73/73/97/345737397.db2.gz WGPDGADSQLFXDI-CZUORRHYSA-N 2 2 244.382 2.792 10 0 BFAELP C[C@@H]1[C@H]([NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000211623935 345737400 /nfs/dbraw/zinc/73/74/00/345737400.db2.gz WGPDGADSQLFXDI-CZUORRHYSA-N 2 2 244.382 2.792 10 0 BFAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCCC2)c1 ZINC000042965487 179189129 /nfs/dbraw/zinc/18/91/29/179189129.db2.gz OFEOPDRSENIJSD-UKRRQHHQSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C(C)C ZINC000043033518 179327943 /nfs/dbraw/zinc/32/79/43/179327943.db2.gz BPVHUVALDSMCLB-GXTWGEPZSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C(C)C ZINC000043033518 179327945 /nfs/dbraw/zinc/32/79/45/179327945.db2.gz BPVHUVALDSMCLB-GXTWGEPZSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019947398 179339470 /nfs/dbraw/zinc/33/94/70/179339470.db2.gz YTJKXKIFVMIDCA-XJKSGUPXSA-N 2 2 244.382 2.740 10 0 BFAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C ZINC000043033514 179346459 /nfs/dbraw/zinc/34/64/59/179346459.db2.gz BPVHUVALDSMCLB-OCCSQVGLSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C ZINC000043033514 179346463 /nfs/dbraw/zinc/34/64/63/179346463.db2.gz BPVHUVALDSMCLB-OCCSQVGLSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccc[nH+]c1N(C)c1ccc(C[NH3+])cc1 ZINC000061950689 179389388 /nfs/dbraw/zinc/38/93/88/179389388.db2.gz FNKASENAOLKHKF-UHFFFAOYSA-N 2 2 227.311 2.617 10 0 BFAELP C1CC12[C@@H]([NH2+]C1CCCCC1)C1CC[NH+]2CC1 ZINC000616579634 349167268 /nfs/dbraw/zinc/16/72/68/349167268.db2.gz VBQJFQHLNUPQAJ-AWEZNQCLSA-N 2 2 234.387 2.536 10 0 BFAELP CC(C)(C)[C@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000616584579 349361964 /nfs/dbraw/zinc/36/19/64/349361964.db2.gz KXKSTVOVLCEKEV-CQSZACIVSA-N 2 2 232.371 2.591 10 0 BFAELP CC(C)(C)[C@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000616584579 349361965 /nfs/dbraw/zinc/36/19/65/349361965.db2.gz KXKSTVOVLCEKEV-CQSZACIVSA-N 2 2 232.371 2.591 10 0 BFAELP Cc1[nH+]cn(-c2ccc(F)cc2[C@H](C)[NH3+])c1C ZINC000051927179 180285042 /nfs/dbraw/zinc/28/50/42/180285042.db2.gz MIQAUQFVNPEKEG-QMMMGPOBSA-N 2 2 233.290 2.648 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616600261 350779072 /nfs/dbraw/zinc/77/90/72/350779072.db2.gz BEPGVZUSFCNTSE-LLVKDONJSA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616600261 350779075 /nfs/dbraw/zinc/77/90/75/350779075.db2.gz BEPGVZUSFCNTSE-LLVKDONJSA-N 2 2 221.348 2.778 10 0 BFAELP CC(C)(C)[NH+]1CCC(c2cccc(N)[nH+]2)CC1 ZINC000616620313 350937149 /nfs/dbraw/zinc/93/71/49/350937149.db2.gz VRAUWERQSLOOFL-UHFFFAOYSA-N 2 2 233.359 2.642 10 0 BFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000616625476 351093597 /nfs/dbraw/zinc/09/35/97/351093597.db2.gz OFVJHFQISDZKPU-AWEZNQCLSA-N 2 2 236.334 2.702 10 0 BFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000616625476 351093601 /nfs/dbraw/zinc/09/36/01/351093601.db2.gz OFVJHFQISDZKPU-AWEZNQCLSA-N 2 2 236.334 2.702 10 0 BFAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000034938057 351353503 /nfs/dbraw/zinc/35/35/03/351353503.db2.gz NYYLMRLBWSATMP-ZDUSSCGKSA-N 2 2 238.400 2.750 10 0 BFAELP Cc1sccc1[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000307355912 352323713 /nfs/dbraw/zinc/32/37/13/352323713.db2.gz UTAJQXYNRHYKMN-AWEZNQCLSA-N 2 2 246.379 2.846 10 0 BFAELP CC(C)C[C@](C)(C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061819110 187783935 /nfs/dbraw/zinc/78/39/35/187783935.db2.gz VGKKCADEMBFRNG-CQSZACIVSA-N 2 2 226.408 2.872 10 0 BFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc([C@@H]2C[C@H]2C)o1 ZINC000036879107 188113422 /nfs/dbraw/zinc/11/34/22/188113422.db2.gz AWKRKPSVFQYUAU-IJLUTSLNSA-N 2 2 236.359 2.743 10 0 BFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc([C@@H]2C[C@H]2C)o1 ZINC000036879107 188113424 /nfs/dbraw/zinc/11/34/24/188113424.db2.gz AWKRKPSVFQYUAU-IJLUTSLNSA-N 2 2 236.359 2.743 10 0 BFAELP Cc1cccc(C2CC([NH2+]C[C@@H](C)[NH+](C)C)C2)c1 ZINC000038087769 188117223 /nfs/dbraw/zinc/11/72/23/188117223.db2.gz JQRHXCDTYXYNFF-IUDNXUCKSA-N 2 2 246.398 2.781 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000389142876 355731197 /nfs/dbraw/zinc/73/11/97/355731197.db2.gz HNWBDXRIHPNWHT-KFWWJZLASA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000389142876 355731199 /nfs/dbraw/zinc/73/11/99/355731199.db2.gz HNWBDXRIHPNWHT-KFWWJZLASA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000389267461 355943101 /nfs/dbraw/zinc/94/31/01/355943101.db2.gz QDCJBZJWKRRLTK-QEJZJMRPSA-N 2 2 236.403 2.663 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000389267461 355943105 /nfs/dbraw/zinc/94/31/05/355943105.db2.gz QDCJBZJWKRRLTK-QEJZJMRPSA-N 2 2 236.403 2.663 10 0 BFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000096986892 538617355 /nfs/dbraw/zinc/61/73/55/538617355.db2.gz MFECWEYODQRINB-BXKDBHETSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)c(Cl)c1 ZINC000096986892 538617362 /nfs/dbraw/zinc/61/73/62/538617362.db2.gz MFECWEYODQRINB-BXKDBHETSA-N 2 2 242.725 2.573 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389557485 356990841 /nfs/dbraw/zinc/99/08/41/356990841.db2.gz SFEJYOLZANXSHJ-STQMWFEESA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389557485 356990845 /nfs/dbraw/zinc/99/08/45/356990845.db2.gz SFEJYOLZANXSHJ-STQMWFEESA-N 2 2 212.381 2.639 10 0 BFAELP CCCc1ccc(C[N@H+](C)CCn2cc[nH+]c2)o1 ZINC000215304883 535416919 /nfs/dbraw/zinc/41/69/19/535416919.db2.gz JACUCIIQWGWDLU-UHFFFAOYSA-N 2 2 247.342 2.561 10 0 BFAELP CCCc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)o1 ZINC000215304883 535416926 /nfs/dbraw/zinc/41/69/26/535416926.db2.gz JACUCIIQWGWDLU-UHFFFAOYSA-N 2 2 247.342 2.561 10 0 BFAELP CCCCCC[NH2+]CC[NH+]1CCCCC1 ZINC000041582062 358333286 /nfs/dbraw/zinc/33/32/86/358333286.db2.gz DOSBZLDBHTUQMV-UHFFFAOYSA-N 2 2 212.381 2.642 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000049591435 358695677 /nfs/dbraw/zinc/69/56/77/358695677.db2.gz LGNIWXZHFKGCJZ-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000049591435 358695680 /nfs/dbraw/zinc/69/56/80/358695680.db2.gz LGNIWXZHFKGCJZ-INIZCTEOSA-N 2 2 246.398 2.877 10 0 BFAELP C[C@@H]1CC[N@H+](CC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246799730 359165187 /nfs/dbraw/zinc/16/51/87/359165187.db2.gz QSHXUTCMOWJVKB-CHWSQXEVSA-N 2 2 235.375 2.812 10 0 BFAELP C[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246799730 359165190 /nfs/dbraw/zinc/16/51/90/359165190.db2.gz QSHXUTCMOWJVKB-CHWSQXEVSA-N 2 2 235.375 2.812 10 0 BFAELP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000328227700 363861734 /nfs/dbraw/zinc/86/17/34/363861734.db2.gz CDZLKRSEOXIVBK-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000328227700 363861739 /nfs/dbraw/zinc/86/17/39/363861739.db2.gz CDZLKRSEOXIVBK-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC)C2)C1 ZINC000336896246 364844584 /nfs/dbraw/zinc/84/45/84/364844584.db2.gz NUEAOWZQJAJBIH-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C1 ZINC000336896246 364844589 /nfs/dbraw/zinc/84/45/89/364844589.db2.gz NUEAOWZQJAJBIH-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP [NH3+]CCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000019478096 181375600 /nfs/dbraw/zinc/37/56/00/181375600.db2.gz MIOIATWLDCBIAK-UHFFFAOYSA-N 2 2 217.316 2.625 10 0 BFAELP [NH3+]CC[N@@H+](Cc1ccco1)CC1CCCCC1 ZINC000076619646 181390934 /nfs/dbraw/zinc/39/09/34/181390934.db2.gz FEMFWJYJGHNDJM-UHFFFAOYSA-N 2 2 236.359 2.621 10 0 BFAELP [NH3+]CC[N@H+](Cc1ccco1)CC1CCCCC1 ZINC000076619646 181390936 /nfs/dbraw/zinc/39/09/36/181390936.db2.gz FEMFWJYJGHNDJM-UHFFFAOYSA-N 2 2 236.359 2.621 10 0 BFAELP COc1ccccc1[C@H](C[NH3+])[NH+]1CCCCCC1 ZINC000038860262 372794562 /nfs/dbraw/zinc/79/45/62/372794562.db2.gz FYFPSEZIYBXCKQ-AWEZNQCLSA-N 2 2 248.370 2.571 10 0 BFAELP CCCC[C@H](CC)Cn1cc[nH+]c1C[C@@H](C)[NH3+] ZINC000062802948 169000309 /nfs/dbraw/zinc/00/03/09/169000309.db2.gz ZVJJGHCUCMKDGH-OLZOCXBDSA-N 2 2 237.391 2.989 10 0 BFAELP CCCCc1ccc([C@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071545180 169024079 /nfs/dbraw/zinc/02/40/79/169024079.db2.gz OEGZEPPCXMCHBC-WFASDCNBSA-N 2 2 234.387 2.979 10 0 BFAELP CCC[N@H+](C)[C@H](c1cccc(F)c1)[C@H]([NH3+])CC ZINC000042971338 169087936 /nfs/dbraw/zinc/08/79/36/169087936.db2.gz FEFHNWGDGUCXII-ZIAGYGMSSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](C)[C@H](c1cccc(F)c1)[C@H]([NH3+])CC ZINC000042971338 169087937 /nfs/dbraw/zinc/08/79/37/169087937.db2.gz FEFHNWGDGUCXII-ZIAGYGMSSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@H+]([C@@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042901113 169090102 /nfs/dbraw/zinc/09/01/02/169090102.db2.gz RYBOMFACCIANQT-IUODEOHRSA-N 2 2 232.371 2.949 10 0 BFAELP CCC[N@@H+]([C@@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042901113 169090105 /nfs/dbraw/zinc/09/01/05/169090105.db2.gz RYBOMFACCIANQT-IUODEOHRSA-N 2 2 232.371 2.949 10 0 BFAELP CCC[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000037097131 169090602 /nfs/dbraw/zinc/09/06/02/169090602.db2.gz MRFQYVFKMJFBJB-QWHCGFSZSA-N 2 2 210.365 2.521 10 0 BFAELP CCC[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000037097131 169090603 /nfs/dbraw/zinc/09/06/03/169090603.db2.gz MRFQYVFKMJFBJB-QWHCGFSZSA-N 2 2 210.365 2.521 10 0 BFAELP CCC[N@H+]([C@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000037096905 169091445 /nfs/dbraw/zinc/09/14/45/169091445.db2.gz OGKTYFOJDKHEBR-OAHLLOKOSA-N 2 2 232.371 2.869 10 0 BFAELP CCC[N@@H+]([C@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000037096905 169091446 /nfs/dbraw/zinc/09/14/46/169091446.db2.gz OGKTYFOJDKHEBR-OAHLLOKOSA-N 2 2 232.371 2.869 10 0 BFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(C)o1 ZINC000022168660 169152346 /nfs/dbraw/zinc/15/23/46/169152346.db2.gz KKLKLWNHHRLSNT-GFCCVEGCSA-N 2 2 224.348 2.710 10 0 BFAELP CCC[NH+](CCC)[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000023070895 169152230 /nfs/dbraw/zinc/15/22/30/169152230.db2.gz VUOJECIVRFASCS-AVGNSLFASA-N 2 2 212.381 2.624 10 0 BFAELP CCC[NH2+]CCOc1cc[nH+]c2ccccc21 ZINC000051869575 169260772 /nfs/dbraw/zinc/26/07/72/169260772.db2.gz WCNKBPFMQAWRJU-UHFFFAOYSA-N 2 2 230.311 2.613 10 0 BFAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccncc1 ZINC000052480847 169260933 /nfs/dbraw/zinc/26/09/33/169260933.db2.gz ZLIQBOZXXKHQTB-HNNXBMFYSA-N 2 2 249.402 2.538 10 0 BFAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccncc1 ZINC000052480847 169260935 /nfs/dbraw/zinc/26/09/35/169260935.db2.gz ZLIQBOZXXKHQTB-HNNXBMFYSA-N 2 2 249.402 2.538 10 0 BFAELP CCC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)C1CC1 ZINC000052445641 169262500 /nfs/dbraw/zinc/26/25/00/169262500.db2.gz ZHSOCUGYKLTUFW-HNNXBMFYSA-N 2 2 232.371 2.822 10 0 BFAELP CCC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)C1CC1 ZINC000052445641 169262502 /nfs/dbraw/zinc/26/25/02/169262502.db2.gz ZHSOCUGYKLTUFW-HNNXBMFYSA-N 2 2 232.371 2.822 10 0 BFAELP c1cc2cc(OC[C@@H]3CCC[NH2+]C3)ccc2c[nH+]1 ZINC000202371704 183374868 /nfs/dbraw/zinc/37/48/68/183374868.db2.gz YLAFLSYOIFUTBA-GFCCVEGCSA-N 2 2 242.322 2.613 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000035586604 169289746 /nfs/dbraw/zinc/28/97/46/169289746.db2.gz RFEVZLZGVGADFJ-CYBMUJFWSA-N 2 2 247.317 2.832 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000037719615 169282066 /nfs/dbraw/zinc/28/20/66/169282066.db2.gz NDXBAVUVFMFHQP-MRXNPFEDSA-N 2 2 246.398 2.693 10 0 BFAELP CCC[NH2+][C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000037719615 169282068 /nfs/dbraw/zinc/28/20/68/169282068.db2.gz NDXBAVUVFMFHQP-MRXNPFEDSA-N 2 2 246.398 2.693 10 0 BFAELP CCC[NH2+][C@H]1CC[N@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708522 169292005 /nfs/dbraw/zinc/29/20/05/169292005.db2.gz OWEYBGILFXLREH-OLZOCXBDSA-N 2 2 236.359 2.632 10 0 BFAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccco2)[C@H](C)C1 ZINC000049708522 169292006 /nfs/dbraw/zinc/29/20/06/169292006.db2.gz OWEYBGILFXLREH-OLZOCXBDSA-N 2 2 236.359 2.632 10 0 BFAELP CCC[C@@H](C)[NH2+]C[C@H](C)[N@H+](CC)CCOCC ZINC000104194410 169370106 /nfs/dbraw/zinc/37/01/06/169370106.db2.gz UZTZSWZZTMPWQF-KGLIPLIRSA-N 2 2 244.423 2.512 10 0 BFAELP CCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](CC)CCOCC ZINC000104194410 169370107 /nfs/dbraw/zinc/37/01/07/169370107.db2.gz UZTZSWZZTMPWQF-KGLIPLIRSA-N 2 2 244.423 2.512 10 0 BFAELP CCC[C@@H]([NH3+])[C@@H](CC)[NH+]1Cc2ccccc2C1 ZINC000050910930 169392741 /nfs/dbraw/zinc/39/27/41/169392741.db2.gz LRIJMCVMTGSKFG-HUUCEWRRSA-N 2 2 232.371 2.908 10 0 BFAELP CC[C@@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000119697029 384296535 /nfs/dbraw/zinc/29/65/35/384296535.db2.gz XONCJMBQDYMSJB-ZIAGYGMSSA-N 2 2 247.386 2.862 10 0 BFAELP CC[C@@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000119697029 384296541 /nfs/dbraw/zinc/29/65/41/384296541.db2.gz XONCJMBQDYMSJB-ZIAGYGMSSA-N 2 2 247.386 2.862 10 0 BFAELP C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000052272643 384727865 /nfs/dbraw/zinc/72/78/65/384727865.db2.gz RHMJCPVKYYNEGA-XUJVJEKNSA-N 2 2 241.338 2.931 10 0 BFAELP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)C(C)(C)C ZINC000310042202 385139019 /nfs/dbraw/zinc/13/90/19/385139019.db2.gz ZGDNGYJAYACIFJ-ZDUSSCGKSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)C(C)(C)C ZINC000310042202 385139023 /nfs/dbraw/zinc/13/90/23/385139023.db2.gz ZGDNGYJAYACIFJ-ZDUSSCGKSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000336742396 385755978 /nfs/dbraw/zinc/75/59/78/385755978.db2.gz RYPRWWBRHNIRMO-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000336742396 385755982 /nfs/dbraw/zinc/75/59/82/385755982.db2.gz RYPRWWBRHNIRMO-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358396822 386947560 /nfs/dbraw/zinc/94/75/60/386947560.db2.gz JTUPTKKKKADBTK-YDHLFZDLSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358396822 386947566 /nfs/dbraw/zinc/94/75/66/386947566.db2.gz JTUPTKKKKADBTK-YDHLFZDLSA-N 2 2 232.371 2.596 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000309918125 388468960 /nfs/dbraw/zinc/46/89/60/388468960.db2.gz QMYCZVIHIOWJFP-JSGCOSHPSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000309918125 388468963 /nfs/dbraw/zinc/46/89/63/388468963.db2.gz QMYCZVIHIOWJFP-JSGCOSHPSA-N 2 2 224.392 2.639 10 0 BFAELP Cn1c[nH+]c(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000066054805 388547487 /nfs/dbraw/zinc/54/74/87/388547487.db2.gz IQAAZNDIZBTXTA-UHFFFAOYSA-N 2 2 241.338 2.554 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)CC)C1 ZINC000248373886 388677377 /nfs/dbraw/zinc/67/73/77/388677377.db2.gz MFSCGPIWPMWLNA-OLZOCXBDSA-N 2 2 235.375 2.881 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)CC)C1 ZINC000248373886 388677379 /nfs/dbraw/zinc/67/73/79/388677379.db2.gz MFSCGPIWPMWLNA-OLZOCXBDSA-N 2 2 235.375 2.881 10 0 BFAELP CCC[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192753441 388683740 /nfs/dbraw/zinc/68/37/40/388683740.db2.gz RCJZOTDQCZWDOP-TZMCWYRMSA-N 2 2 235.375 2.845 10 0 BFAELP CCC[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192753441 388683742 /nfs/dbraw/zinc/68/37/42/388683742.db2.gz RCJZOTDQCZWDOP-TZMCWYRMSA-N 2 2 235.375 2.845 10 0 BFAELP CCC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166991 322826988 /nfs/dbraw/zinc/82/69/88/322826988.db2.gz XYZGMQADCYHFOD-OLZOCXBDSA-N 2 2 214.397 2.741 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(C)C ZINC000178304377 134305991 /nfs/dbraw/zinc/30/59/91/134305991.db2.gz XJRUQWWOEVJFPZ-AWEZNQCLSA-N 2 2 235.375 2.702 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(C)C ZINC000178304377 134305992 /nfs/dbraw/zinc/30/59/92/134305992.db2.gz XJRUQWWOEVJFPZ-AWEZNQCLSA-N 2 2 235.375 2.702 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000178294593 134306135 /nfs/dbraw/zinc/30/61/35/134306135.db2.gz OBNOJXGNTIJLNB-HNNXBMFYSA-N 2 2 247.386 2.846 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000178294593 134306136 /nfs/dbraw/zinc/30/61/36/134306136.db2.gz OBNOJXGNTIJLNB-HNNXBMFYSA-N 2 2 247.386 2.846 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000222015325 134329090 /nfs/dbraw/zinc/32/90/90/134329090.db2.gz IHADABGKAGOPLB-CBBWQLFWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000222015325 134329091 /nfs/dbraw/zinc/32/90/91/134329091.db2.gz IHADABGKAGOPLB-CBBWQLFWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000250215459 135050567 /nfs/dbraw/zinc/05/05/67/135050567.db2.gz DDSFIJGMNBRCKF-APIJFGDWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000250215459 135050569 /nfs/dbraw/zinc/05/05/69/135050569.db2.gz DDSFIJGMNBRCKF-APIJFGDWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000250266980 135051539 /nfs/dbraw/zinc/05/15/39/135051539.db2.gz KPEWKZJUVODEMG-IHRRRGAJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000250266980 135051541 /nfs/dbraw/zinc/05/15/41/135051541.db2.gz KPEWKZJUVODEMG-IHRRRGAJSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)C[C@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261544577 135186286 /nfs/dbraw/zinc/18/62/86/135186286.db2.gz JBLIQMSGJCMXIP-GFCCVEGCSA-N 2 2 212.381 2.624 10 0 BFAELP CC(C)C[C@H]1CCCC[N@H+]1CC(C)(C)[NH3+] ZINC000261544577 135186287 /nfs/dbraw/zinc/18/62/87/135186287.db2.gz JBLIQMSGJCMXIP-GFCCVEGCSA-N 2 2 212.381 2.624 10 0 BFAELP CCC(CC)(CC)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000262033447 135274993 /nfs/dbraw/zinc/27/49/93/135274993.db2.gz OHMVOBPPVRAQLE-ZDUSSCGKSA-N 2 2 226.408 2.887 10 0 BFAELP CCC(CC)(CC)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000262033447 135274994 /nfs/dbraw/zinc/27/49/94/135274994.db2.gz OHMVOBPPVRAQLE-ZDUSSCGKSA-N 2 2 226.408 2.887 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000164516054 135386917 /nfs/dbraw/zinc/38/69/17/135386917.db2.gz QHSZUXMVGVDDFI-UPJWGTAASA-N 2 2 224.392 2.637 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000164516054 135386918 /nfs/dbraw/zinc/38/69/18/135386918.db2.gz QHSZUXMVGVDDFI-UPJWGTAASA-N 2 2 224.392 2.637 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000160424364 397983038 /nfs/dbraw/zinc/98/30/38/397983038.db2.gz NXWXAPCGZCXWDN-OAHLLOKOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000160424364 397983043 /nfs/dbraw/zinc/98/30/43/397983043.db2.gz NXWXAPCGZCXWDN-OAHLLOKOSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000160424233 397983221 /nfs/dbraw/zinc/98/32/21/397983221.db2.gz NXWXAPCGZCXWDN-HNNXBMFYSA-N 2 2 246.398 2.877 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000160424233 397983223 /nfs/dbraw/zinc/98/32/23/397983223.db2.gz NXWXAPCGZCXWDN-HNNXBMFYSA-N 2 2 246.398 2.877 10 0 BFAELP CC(C)C[NH2+]Cc1cc(N(C)CC(C)C)cc[nH+]1 ZINC000051441825 167008619 /nfs/dbraw/zinc/00/86/19/167008619.db2.gz VGNFNVSTAKPNJF-UHFFFAOYSA-N 2 2 249.402 2.919 10 0 BFAELP CC(C)[NH2+][C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050270831 167140030 /nfs/dbraw/zinc/14/00/30/167140030.db2.gz VDNWOJXMSFTSNH-LLVKDONJSA-N 2 2 246.276 2.703 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000401778314 411327940 /nfs/dbraw/zinc/32/79/40/411327940.db2.gz OSTOZUKUHKHOGW-YDHLFZDLSA-N 2 2 232.371 2.644 10 0 BFAELP CC1CC[NH+]([C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000019807608 168187925 /nfs/dbraw/zinc/18/79/25/168187925.db2.gz XWNIDCVXSORJSW-UONOGXRCSA-N 2 2 224.392 2.626 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000328527239 170014144 /nfs/dbraw/zinc/01/41/44/170014144.db2.gz VCDOCBUIBLPUSO-SMDDNHRTSA-N 2 2 236.334 2.571 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000328527239 170014145 /nfs/dbraw/zinc/01/41/45/170014145.db2.gz VCDOCBUIBLPUSO-SMDDNHRTSA-N 2 2 236.334 2.571 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000328252030 170022403 /nfs/dbraw/zinc/02/24/03/170022403.db2.gz KTTDLKOIWSYYCD-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000328252030 170022404 /nfs/dbraw/zinc/02/24/04/170022404.db2.gz KTTDLKOIWSYYCD-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000309982955 170040087 /nfs/dbraw/zinc/04/00/87/170040087.db2.gz XCDCSWHABXILFI-QJPTWQEYSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000309982955 170040089 /nfs/dbraw/zinc/04/00/89/170040089.db2.gz XCDCSWHABXILFI-QJPTWQEYSA-N 2 2 238.400 2.739 10 0 BFAELP CC[NH2+]CC[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC000042367801 170113555 /nfs/dbraw/zinc/11/35/55/170113555.db2.gz DBZJTENEDUCLFF-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CC[NH2+]CC[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC000042367801 170113557 /nfs/dbraw/zinc/11/35/57/170113557.db2.gz DBZJTENEDUCLFF-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000053648452 170123098 /nfs/dbraw/zinc/12/30/98/170123098.db2.gz NNFRRDKOWZLXRS-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000053648452 170123099 /nfs/dbraw/zinc/12/30/99/170123099.db2.gz NNFRRDKOWZLXRS-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CC[NH2+][C@@H]1CCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819862 170151886 /nfs/dbraw/zinc/15/18/86/170151886.db2.gz WXNJTSPLCSFTAD-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000035570430 170163107 /nfs/dbraw/zinc/16/31/07/170163107.db2.gz LYGWPKAEKULQKN-GFCCVEGCSA-N 2 2 249.745 2.956 10 0 BFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1n1cc[nH+]c1 ZINC000043992913 170166110 /nfs/dbraw/zinc/16/61/10/170166110.db2.gz YLTPYSSKPLTECW-STQMWFEESA-N 2 2 221.348 2.757 10 0 BFAELP CC[C@@H](C[NH2+]C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575747 170827737 /nfs/dbraw/zinc/82/77/37/170827737.db2.gz MNAZRHXMLOKBCD-LBPRGKRZSA-N 2 2 231.343 2.824 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC[C@H]1CC[NH2+]C1 ZINC000133841143 411974955 /nfs/dbraw/zinc/97/49/55/411974955.db2.gz JKPGQKCTFUEPAI-LBPRGKRZSA-N 2 2 241.338 2.565 10 0 BFAELP CC[C@H](C)C[N@H+](C)C1(C[NH3+])CCC(C)CC1 ZINC000037172749 171272499 /nfs/dbraw/zinc/27/24/99/171272499.db2.gz ZKDAZWPNMRTKBO-HSBZDZAISA-N 2 2 226.408 2.872 10 0 BFAELP CC[C@H](C)C[N@@H+](C)C1(C[NH3+])CCC(C)CC1 ZINC000037172749 171272501 /nfs/dbraw/zinc/27/25/01/171272501.db2.gz ZKDAZWPNMRTKBO-HSBZDZAISA-N 2 2 226.408 2.872 10 0 BFAELP CC[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245886933 171280999 /nfs/dbraw/zinc/28/09/99/171280999.db2.gz XONCJMBQDYMSJB-KBPBESRZSA-N 2 2 247.386 2.862 10 0 BFAELP CC[C@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245886933 171281001 /nfs/dbraw/zinc/28/10/01/171281001.db2.gz XONCJMBQDYMSJB-KBPBESRZSA-N 2 2 247.386 2.862 10 0 BFAELP CC[C@H](C)[N@H+](C)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913757 171309656 /nfs/dbraw/zinc/30/96/56/171309656.db2.gz SRMSHIRVIXEBGW-MISXGVKJSA-N 2 2 238.350 2.944 10 0 BFAELP CC[C@H](C)[N@@H+](C)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042913757 171309659 /nfs/dbraw/zinc/30/96/59/171309659.db2.gz SRMSHIRVIXEBGW-MISXGVKJSA-N 2 2 238.350 2.944 10 0 BFAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032090479 171313164 /nfs/dbraw/zinc/31/31/64/171313164.db2.gz BEGQCSYXUFCCEY-NSHDSACASA-N 2 2 240.778 2.899 10 0 BFAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccc(Cl)cc1 ZINC000032090479 171313165 /nfs/dbraw/zinc/31/31/65/171313165.db2.gz BEGQCSYXUFCCEY-NSHDSACASA-N 2 2 240.778 2.899 10 0 BFAELP CC[C@H](C)[NH2+]CC[N@H+](C)Cc1ccc(C)cc1 ZINC000037617938 171340308 /nfs/dbraw/zinc/34/03/08/171340308.db2.gz PYKNAOAMZZTDOB-AWEZNQCLSA-N 2 2 234.387 2.815 10 0 BFAELP CC[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000037617938 171340309 /nfs/dbraw/zinc/34/03/09/171340309.db2.gz PYKNAOAMZZTDOB-AWEZNQCLSA-N 2 2 234.387 2.815 10 0 BFAELP CC[C@H](C)[C@H]([NH3+])C[N@H+](Cc1ccco1)C1CC1 ZINC000042693284 171396388 /nfs/dbraw/zinc/39/63/88/171396388.db2.gz ASWTXPIFWWDIES-SMDDNHRTSA-N 2 2 236.359 2.617 10 0 BFAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+](Cc1ccco1)C1CC1 ZINC000042693284 171396390 /nfs/dbraw/zinc/39/63/90/171396390.db2.gz ASWTXPIFWWDIES-SMDDNHRTSA-N 2 2 236.359 2.617 10 0 BFAELP CCc1[nH+]c2ccccc2n1C[C@H]([NH3+])C(C)(C)C ZINC000062807611 172013443 /nfs/dbraw/zinc/01/34/43/172013443.db2.gz YBRVFZVYWJOLDI-ZDUSSCGKSA-N 2 2 245.370 2.972 10 0 BFAELP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000061319794 173319164 /nfs/dbraw/zinc/31/91/64/173319164.db2.gz NRQNOYSCVYLEJY-CYBMUJFWSA-N 2 2 224.392 2.639 10 0 BFAELP C[NH2+]C(C)(C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000061319794 173319165 /nfs/dbraw/zinc/31/91/65/173319165.db2.gz NRQNOYSCVYLEJY-CYBMUJFWSA-N 2 2 224.392 2.639 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000039795605 173366631 /nfs/dbraw/zinc/36/66/31/173366631.db2.gz CQAXBBPAVKORQB-HNNXBMFYSA-N 2 2 232.371 2.679 10 0 BFAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425178 173373198 /nfs/dbraw/zinc/37/31/98/173373198.db2.gz MQJZWFQYLPUTLY-CQSZACIVSA-N 2 2 238.350 2.502 10 0 BFAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425178 173373199 /nfs/dbraw/zinc/37/31/99/173373199.db2.gz MQJZWFQYLPUTLY-CQSZACIVSA-N 2 2 238.350 2.502 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[N@H+](C)C1CCCC1 ZINC000052445029 173377888 /nfs/dbraw/zinc/37/78/88/173377888.db2.gz FOPDMXNOSRDPNR-OAHLLOKOSA-N 2 2 232.371 2.822 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)C1CCCC1 ZINC000052445029 173377890 /nfs/dbraw/zinc/37/78/90/173377890.db2.gz FOPDMXNOSRDPNR-OAHLLOKOSA-N 2 2 232.371 2.822 10 0 BFAELP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014409 176014789 /nfs/dbraw/zinc/01/47/89/176014789.db2.gz TVZZTCHGHHGDBQ-GXFFZTMASA-N 2 2 238.762 2.695 10 0 BFAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014409 176014791 /nfs/dbraw/zinc/01/47/91/176014791.db2.gz TVZZTCHGHHGDBQ-GXFFZTMASA-N 2 2 238.762 2.695 10 0 BFAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)CC2CC2)C1 ZINC000037925344 176052357 /nfs/dbraw/zinc/05/23/57/176052357.db2.gz LVRPBWIBNHNQJW-IUODEOHRSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)CC2CC2)C1 ZINC000037925344 176052359 /nfs/dbraw/zinc/05/23/59/176052359.db2.gz LVRPBWIBNHNQJW-IUODEOHRSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000022173798 176075168 /nfs/dbraw/zinc/07/51/68/176075168.db2.gz SUAVHSPFZINRJH-PWSUYJOCSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000022173798 176075169 /nfs/dbraw/zinc/07/51/69/176075169.db2.gz SUAVHSPFZINRJH-PWSUYJOCSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000019261370 176075218 /nfs/dbraw/zinc/07/52/18/176075218.db2.gz YTDBBQZDRHNQMH-RISCZKNCSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000019261370 176075220 /nfs/dbraw/zinc/07/52/20/176075220.db2.gz YTDBBQZDRHNQMH-RISCZKNCSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)C2CCCC2)C1 ZINC000037084219 176151555 /nfs/dbraw/zinc/15/15/55/176151555.db2.gz HFRCKSSLGYIBHL-OCCSQVGLSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)C2CCCC2)C1 ZINC000037084219 176151556 /nfs/dbraw/zinc/15/15/56/176151556.db2.gz HFRCKSSLGYIBHL-OCCSQVGLSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1C[C@@H](C)C[NH+](CC2([NH3+])CCCCC2)C1 ZINC000020073594 176360686 /nfs/dbraw/zinc/36/06/86/176360686.db2.gz UJPJKCBFTPXZCU-CHWSQXEVSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983845 177080544 /nfs/dbraw/zinc/08/05/44/177080544.db2.gz BXBUBDGZWBXUKP-BFHYXJOUSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983845 177080547 /nfs/dbraw/zinc/08/05/47/177080547.db2.gz BXBUBDGZWBXUKP-BFHYXJOUSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983847 177086420 /nfs/dbraw/zinc/08/64/20/177086420.db2.gz BXBUBDGZWBXUKP-MELADBBJSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983847 177086422 /nfs/dbraw/zinc/08/64/22/177086422.db2.gz BXBUBDGZWBXUKP-MELADBBJSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@H]1CCCC[C@]1(C[NH3+])[NH+]1CCCCCC1 ZINC000019807727 177090385 /nfs/dbraw/zinc/09/03/85/177090385.db2.gz CNWKKDXQLZKBSS-UONOGXRCSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000050566856 177096236 /nfs/dbraw/zinc/09/62/36/177096236.db2.gz BXAIWECDBHXJNU-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1([NH3+])CCCCC1 ZINC000050566856 177096238 /nfs/dbraw/zinc/09/62/38/177096238.db2.gz BXAIWECDBHXJNU-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1C ZINC000043044225 177111503 /nfs/dbraw/zinc/11/15/03/177111503.db2.gz ZZGAUKRBGMMYSB-MISXGVKJSA-N 2 2 236.334 2.698 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]1C ZINC000043044225 177111505 /nfs/dbraw/zinc/11/15/05/177111505.db2.gz ZZGAUKRBGMMYSB-MISXGVKJSA-N 2 2 236.334 2.698 10 0 BFAELP C[C@@H]1CCC[C@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000020305995 177114185 /nfs/dbraw/zinc/11/41/85/177114185.db2.gz DTEKLJDCZZXPLF-PBWFPOADSA-N 2 2 235.375 2.688 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1CC1([NH3+])CCCC1 ZINC000037479588 177116153 /nfs/dbraw/zinc/11/61/53/177116153.db2.gz SGQRSYXBQLQIAR-TXEJJXNPSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1([NH3+])CCCC1 ZINC000037479588 177116154 /nfs/dbraw/zinc/11/61/54/177116154.db2.gz SGQRSYXBQLQIAR-TXEJJXNPSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1ccco1 ZINC000019795933 177117717 /nfs/dbraw/zinc/11/77/17/177117717.db2.gz SMVTZIMNTGXSEV-GRYCIOLGSA-N 2 2 222.332 2.542 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1ccco1 ZINC000019795933 177117719 /nfs/dbraw/zinc/11/77/19/177117719.db2.gz SMVTZIMNTGXSEV-GRYCIOLGSA-N 2 2 222.332 2.542 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)CC2CCC2)C1 ZINC000061455499 177143264 /nfs/dbraw/zinc/14/32/64/177143264.db2.gz BGHVYERUJDYCBM-JSGCOSHPSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)CC2CCC2)C1 ZINC000061455499 177143266 /nfs/dbraw/zinc/14/32/66/177143266.db2.gz BGHVYERUJDYCBM-JSGCOSHPSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000042278893 177169663 /nfs/dbraw/zinc/16/96/63/177169663.db2.gz OPMRAJKZSDDUFT-GWCFXTLKSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000042278893 177169664 /nfs/dbraw/zinc/16/96/64/177169664.db2.gz OPMRAJKZSDDUFT-GWCFXTLKSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000042278882 177169902 /nfs/dbraw/zinc/16/99/02/177169902.db2.gz AGTQYQCTBAOQPI-GWCFXTLKSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000042278882 177169904 /nfs/dbraw/zinc/16/99/04/177169904.db2.gz AGTQYQCTBAOQPI-GWCFXTLKSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@]2(C[NH3+])CCCC[C@H]2C)C1 ZINC000034790283 177314558 /nfs/dbraw/zinc/31/45/58/177314558.db2.gz CGRJLTGFJJIWHY-BARDWOONSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@]2(C[NH3+])CCCC[C@H]2C)C1 ZINC000034790283 177314559 /nfs/dbraw/zinc/31/45/59/177314559.db2.gz CGRJLTGFJJIWHY-BARDWOONSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@]2(C[NH3+])CCCC[C@H]2C)C1 ZINC000034790290 177315154 /nfs/dbraw/zinc/31/51/54/177315154.db2.gz CGRJLTGFJJIWHY-LXTVHRRPSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@]2(C[NH3+])CCCC[C@H]2C)C1 ZINC000034790290 177315155 /nfs/dbraw/zinc/31/51/55/177315155.db2.gz CGRJLTGFJJIWHY-LXTVHRRPSA-N 2 2 238.419 2.872 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325045737 323309043 /nfs/dbraw/zinc/30/90/43/323309043.db2.gz NXLRGOBHSQLZJN-AWEZNQCLSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325045737 323309048 /nfs/dbraw/zinc/30/90/48/323309048.db2.gz NXLRGOBHSQLZJN-AWEZNQCLSA-N 2 2 236.403 2.639 10 0 BFAELP CCC(CC)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166790 324387918 /nfs/dbraw/zinc/38/79/18/324387918.db2.gz BGCREWTWXWLHLE-CQSZACIVSA-N 2 2 228.424 2.989 10 0 BFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CC ZINC000062808177 487502492 /nfs/dbraw/zinc/50/24/92/487502492.db2.gz BCWHZGUSQXQCGT-LBPRGKRZSA-N 2 2 245.370 2.987 10 0 BFAELP Cc1cccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811633 534757744 /nfs/dbraw/zinc/75/77/44/534757744.db2.gz YOUNPUBBXRHTLW-NFAWXSAZSA-N 2 2 232.371 2.786 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1C ZINC000252125149 535304959 /nfs/dbraw/zinc/30/49/59/535304959.db2.gz JYKNXUGAVRMDFX-MGPQQGTHSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@H+](CC(C)C)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000669381395 566427115 /nfs/dbraw/zinc/42/71/15/566427115.db2.gz IFDDITBCRYEKNT-IHRRRGAJSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+](CC(C)C)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000669381395 566427120 /nfs/dbraw/zinc/42/71/20/566427120.db2.gz IFDDITBCRYEKNT-IHRRRGAJSA-N 2 2 226.408 2.741 10 0 BFAELP CC(C)CC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757125038 582499780 /nfs/dbraw/zinc/49/97/80/582499780.db2.gz CYNYGUCPJIHUJF-HNNXBMFYSA-N 2 2 236.403 2.593 10 0 BFAELP CC(C)CC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757125038 582499783 /nfs/dbraw/zinc/49/97/83/582499783.db2.gz CYNYGUCPJIHUJF-HNNXBMFYSA-N 2 2 236.403 2.593 10 0 BFAELP CCC[C@@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129893 582504894 /nfs/dbraw/zinc/50/48/94/582504894.db2.gz NBLUBLPWOUGPDM-UKRRQHHQSA-N 2 2 236.403 2.735 10 0 BFAELP CCC[C@@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129893 582504895 /nfs/dbraw/zinc/50/48/95/582504895.db2.gz NBLUBLPWOUGPDM-UKRRQHHQSA-N 2 2 236.403 2.735 10 0 BFAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757211792 586439039 /nfs/dbraw/zinc/43/90/39/586439039.db2.gz ITYXKLYYGIAZOI-KCPJHIHWSA-N 2 2 244.382 2.878 10 0 BFAELP C[C@@H]1CC[NH2+][C@@H](c2cscc2C(F)F)[C@@H]1[NH3+] ZINC000757236225 586443931 /nfs/dbraw/zinc/44/39/31/586443931.db2.gz NPXUKCMINMYJPO-DRTBCBBWSA-N 2 2 246.326 2.684 10 0 BFAELP CCC(CC)(C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000019488585 168322778 /nfs/dbraw/zinc/32/27/78/168322778.db2.gz BKSRLJTYMFXPGT-UHFFFAOYSA-N 2 2 238.400 2.624 10 0 BFAELP CCC(CC)(C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000019488585 168322781 /nfs/dbraw/zinc/32/27/81/168322781.db2.gz BKSRLJTYMFXPGT-UHFFFAOYSA-N 2 2 238.400 2.624 10 0 BFAELP CCC(CC)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910681 168323061 /nfs/dbraw/zinc/32/30/61/168323061.db2.gz RIBLWOKOJWWHIC-UHFFFAOYSA-N 2 2 218.344 2.520 10 0 BFAELP Cc1cc(C[C@@H](C)[NH3+])ccc1[N@H+](C)CC1CC1 ZINC000104256568 178053564 /nfs/dbraw/zinc/05/35/64/178053564.db2.gz HUMBLSGTPLNAKM-GFCCVEGCSA-N 2 2 232.371 2.731 10 0 BFAELP Cc1cc(C[C@@H](C)[NH3+])ccc1[N@@H+](C)CC1CC1 ZINC000104256568 178053565 /nfs/dbraw/zinc/05/35/65/178053565.db2.gz HUMBLSGTPLNAKM-GFCCVEGCSA-N 2 2 232.371 2.731 10 0 BFAELP C[C@H]([C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000306641744 361754545 /nfs/dbraw/zinc/75/45/45/361754545.db2.gz RGHZLSVRFICYCZ-UKRRQHHQSA-N 2 2 232.371 2.649 10 0 BFAELP C[C@H]([C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000306641744 361754549 /nfs/dbraw/zinc/75/45/49/361754549.db2.gz RGHZLSVRFICYCZ-UKRRQHHQSA-N 2 2 232.371 2.649 10 0 BFAELP Cc1cc2[nH+]cn([C@H](C)[C@@H](C)[NH3+])c2cc1C ZINC000041053919 178305696 /nfs/dbraw/zinc/30/56/96/178305696.db2.gz PNAGEWPHEMWKBZ-GHMZBOCLSA-N 2 2 217.316 2.561 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccsc2)[C@@H](C)C1 ZINC000381656294 539005634 /nfs/dbraw/zinc/00/56/34/539005634.db2.gz FIGWMCQYEIEZPB-LOWVWBTDSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccsc2)[C@@H](C)C1 ZINC000381656294 539005635 /nfs/dbraw/zinc/00/56/35/539005635.db2.gz FIGWMCQYEIEZPB-LOWVWBTDSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000381656292 539005668 /nfs/dbraw/zinc/00/56/68/539005668.db2.gz FIGWMCQYEIEZPB-GMXVVIOVSA-N 2 2 238.400 2.739 10 0 BFAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000381656292 539005669 /nfs/dbraw/zinc/00/56/69/539005669.db2.gz FIGWMCQYEIEZPB-GMXVVIOVSA-N 2 2 238.400 2.739 10 0 BFAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@H]1C[C@H]1C ZINC000322227060 259352454 /nfs/dbraw/zinc/35/24/54/259352454.db2.gz YSYYAXJMZCNRBT-VRKREXBASA-N 2 2 246.398 2.923 10 0 BFAELP Cc1cc2ccccc2[nH+]c1N[C@@H](C)CC[NH3+] ZINC000134275665 343193965 /nfs/dbraw/zinc/19/39/65/343193965.db2.gz ZVEYAZGVNWSCGH-NSHDSACASA-N 2 2 229.327 2.692 10 0 BFAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816401 344236616 /nfs/dbraw/zinc/23/66/16/344236616.db2.gz QEUFIPZLWZAZHW-GXTWGEPZSA-N 2 2 220.360 2.505 10 0 BFAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816401 344236618 /nfs/dbraw/zinc/23/66/18/344236618.db2.gz QEUFIPZLWZAZHW-GXTWGEPZSA-N 2 2 220.360 2.505 10 0 BFAELP CC[N@H+](CCCCC(N)=[NH2+])c1ccccc1C ZINC000049579649 169826503 /nfs/dbraw/zinc/82/65/03/169826503.db2.gz FYIMZMKXNCXBLJ-UHFFFAOYSA-N 2 2 233.359 2.928 10 0 BFAELP CC[N@@H+](CCCCC(N)=[NH2+])c1ccccc1C ZINC000049579649 169826505 /nfs/dbraw/zinc/82/65/05/169826505.db2.gz FYIMZMKXNCXBLJ-UHFFFAOYSA-N 2 2 233.359 2.928 10 0 BFAELP C[C@H](c1cccs1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000248081935 345035715 /nfs/dbraw/zinc/03/57/15/345035715.db2.gz QKUAWXYNIWEFTB-MNOVXSKESA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H](c1cccs1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000248081935 345035716 /nfs/dbraw/zinc/03/57/16/345035716.db2.gz QKUAWXYNIWEFTB-MNOVXSKESA-N 2 2 224.373 2.622 10 0 BFAELP Cc1cc(Cl)cc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)c1 ZINC000675054773 537977315 /nfs/dbraw/zinc/97/73/15/537977315.db2.gz PHRLVOUBWNQNFF-CHWSQXEVSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc(Cl)cc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675054773 537977323 /nfs/dbraw/zinc/97/73/23/537977323.db2.gz PHRLVOUBWNQNFF-CHWSQXEVSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCCC2)c1 ZINC000042965490 179188381 /nfs/dbraw/zinc/18/83/81/179188381.db2.gz OFEOPDRSENIJSD-DZGCQCFKSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1ccccc1C[N@@H+](C)[C@@H](C)C[NH2+]C(C)C ZINC000052547021 179269114 /nfs/dbraw/zinc/26/91/14/179269114.db2.gz AJAUJNQTOVNROB-AWEZNQCLSA-N 2 2 234.387 2.813 10 0 BFAELP Cc1ccccc1C[N@H+](C)[C@@H](C)C[NH2+]C(C)C ZINC000052547021 179269115 /nfs/dbraw/zinc/26/91/15/179269115.db2.gz AJAUJNQTOVNROB-AWEZNQCLSA-N 2 2 234.387 2.813 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054763561 179339329 /nfs/dbraw/zinc/33/93/29/179339329.db2.gz ONFXFHMMMJSLMG-NSHDSACASA-N 2 2 215.300 2.569 10 0 BFAELP CCC[NH+](CCC)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000669381878 537998385 /nfs/dbraw/zinc/99/83/85/537998385.db2.gz YSYDRHLBXRQJJF-MJBXVCDLSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1[nH+]c2ccccc2n1CC[C@@H]1CCC[NH2+]C1 ZINC000051919772 180103280 /nfs/dbraw/zinc/10/32/80/180103280.db2.gz JUMQPBULUATDKU-ZDUSSCGKSA-N 2 2 243.354 2.734 10 0 BFAELP Cc1[nH]c(C[NH2+]Cc2ccccc2Cl)c[nH+]1 ZINC000054797916 180153302 /nfs/dbraw/zinc/15/33/02/180153302.db2.gz FPYDEKPEHDNAFF-UHFFFAOYSA-N 2 2 235.718 2.661 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000178304220 180270006 /nfs/dbraw/zinc/27/00/06/180270006.db2.gz DJRUQGSDGQLERH-LSDHHAIUSA-N 2 2 245.370 2.765 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1C=CCCC1 ZINC000178304220 180270009 /nfs/dbraw/zinc/27/00/09/180270009.db2.gz DJRUQGSDGQLERH-LSDHHAIUSA-N 2 2 245.370 2.765 10 0 BFAELP Cc1[nH+]cn(-c2cc(Cl)ccc2C[NH3+])c1C ZINC000062787096 180286102 /nfs/dbraw/zinc/28/61/02/180286102.db2.gz AYIPNWHVTPOVHZ-UHFFFAOYSA-N 2 2 235.718 2.601 10 0 BFAELP c1ccc(C[N@@H+]2CCC[NH+]3CCCC[C@H]3C2)cc1 ZINC000250657250 350884926 /nfs/dbraw/zinc/88/49/26/350884926.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 2 244.382 2.747 10 0 BFAELP c1ccc(C[N@H+]2CCC[NH+]3CCCC[C@H]3C2)cc1 ZINC000250657250 350884929 /nfs/dbraw/zinc/88/49/29/350884929.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 2 244.382 2.747 10 0 BFAELP c1ccc(C[NH+]2CCC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000250657250 350884932 /nfs/dbraw/zinc/88/49/32/350884932.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 2 244.382 2.747 10 0 BFAELP c1ccc(C[NH+]2CCC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000250657250 350884936 /nfs/dbraw/zinc/88/49/36/350884936.db2.gz WHDHLWPFYUMRBG-INIZCTEOSA-N 2 2 244.382 2.747 10 0 BFAELP C1CCC2(CC1)C[NH2+]CC1(CCCCC1)[NH2+]2 ZINC000034581993 188098935 /nfs/dbraw/zinc/09/89/35/188098935.db2.gz ZOSPIRSWAQIPSU-UHFFFAOYSA-N 2 2 222.376 2.585 10 0 BFAELP Cc1cccc(C2CC([NH2+]C[C@H](C)[NH+](C)C)C2)c1 ZINC000038087770 188116685 /nfs/dbraw/zinc/11/66/85/188116685.db2.gz JQRHXCDTYXYNFF-JEYLPNPQSA-N 2 2 246.398 2.781 10 0 BFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022215778 188179237 /nfs/dbraw/zinc/17/92/37/188179237.db2.gz YIVLHXBAOKLQDZ-LBPRGKRZSA-N 2 2 226.751 2.680 10 0 BFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022215778 188179238 /nfs/dbraw/zinc/17/92/38/188179238.db2.gz YIVLHXBAOKLQDZ-LBPRGKRZSA-N 2 2 226.751 2.680 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000040502060 358493025 /nfs/dbraw/zinc/49/30/25/358493025.db2.gz VQKKONCWCKSNCU-CQSZACIVSA-N 2 2 224.392 2.783 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000040502060 358493027 /nfs/dbraw/zinc/49/30/27/358493027.db2.gz VQKKONCWCKSNCU-CQSZACIVSA-N 2 2 224.392 2.783 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000040502057 358493083 /nfs/dbraw/zinc/49/30/83/358493083.db2.gz HGSAGYNULMROEH-RUXDESIVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000040502057 358493086 /nfs/dbraw/zinc/49/30/86/358493086.db2.gz HGSAGYNULMROEH-RUXDESIVSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389248907 355935555 /nfs/dbraw/zinc/93/55/55/355935555.db2.gz MITXOPKZDKBZNV-ZIAGYGMSSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389248907 355935559 /nfs/dbraw/zinc/93/55/59/355935559.db2.gz MITXOPKZDKBZNV-ZIAGYGMSSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389248905 355936134 /nfs/dbraw/zinc/93/61/34/355936134.db2.gz MITXOPKZDKBZNV-KGLIPLIRSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389248905 355936137 /nfs/dbraw/zinc/93/61/37/355936137.db2.gz MITXOPKZDKBZNV-KGLIPLIRSA-N 2 2 236.403 2.783 10 0 BFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(Cl)c1 ZINC000675055810 538476328 /nfs/dbraw/zinc/47/63/28/538476328.db2.gz YWHLJLRPGNEZEF-RYUDHWBXSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(Cl)c1 ZINC000675055810 538476332 /nfs/dbraw/zinc/47/63/32/538476332.db2.gz YWHLJLRPGNEZEF-RYUDHWBXSA-N 2 2 242.725 2.573 10 0 BFAELP CC(C)[NH2+]CC[N@H+](C)CCC1CCCCC1 ZINC000163010250 202141452 /nfs/dbraw/zinc/14/14/52/202141452.db2.gz LYSMCBVVFJYRNB-UHFFFAOYSA-N 2 2 226.408 2.887 10 0 BFAELP CC(C)[NH2+]CC[N@@H+](C)CCC1CCCCC1 ZINC000163010250 202141456 /nfs/dbraw/zinc/14/14/56/202141456.db2.gz LYSMCBVVFJYRNB-UHFFFAOYSA-N 2 2 226.408 2.887 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000389561131 356990690 /nfs/dbraw/zinc/99/06/90/356990690.db2.gz UGCYAWLZUWLWHX-CYBMUJFWSA-N 2 2 244.338 2.617 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000389561131 356990695 /nfs/dbraw/zinc/99/06/95/356990695.db2.gz UGCYAWLZUWLWHX-CYBMUJFWSA-N 2 2 244.338 2.617 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300135450 357032101 /nfs/dbraw/zinc/03/21/01/357032101.db2.gz JCULGBYSRNDNLL-HZSPNIEDSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300135450 357032103 /nfs/dbraw/zinc/03/21/03/357032103.db2.gz JCULGBYSRNDNLL-HZSPNIEDSA-N 2 2 238.419 2.885 10 0 BFAELP CCS[C@@H]1CCCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000191491608 357774680 /nfs/dbraw/zinc/77/46/80/357774680.db2.gz UDOSEULAGYYLCS-CYBMUJFWSA-N 2 2 244.448 2.592 10 0 BFAELP CCS[C@@H]1CCCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000191491608 357774682 /nfs/dbraw/zinc/77/46/82/357774682.db2.gz UDOSEULAGYYLCS-CYBMUJFWSA-N 2 2 244.448 2.592 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000246879621 359172150 /nfs/dbraw/zinc/17/21/50/359172150.db2.gz DJRUQGSDGQLERH-HUUCEWRRSA-N 2 2 245.370 2.765 10 0 BFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000246879621 359172152 /nfs/dbraw/zinc/17/21/52/359172152.db2.gz DJRUQGSDGQLERH-HUUCEWRRSA-N 2 2 245.370 2.765 10 0 BFAELP C[C@H](CCC[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000094948115 360328600 /nfs/dbraw/zinc/32/86/00/360328600.db2.gz MWDGYLRMQMWWAK-MRVPVSSYSA-N 2 2 247.264 2.640 10 0 BFAELP [NH3+]CC1([NH+]2CCC3(CCCC3)CC2)CCCC1 ZINC000062952696 181360480 /nfs/dbraw/zinc/36/04/80/181360480.db2.gz UCEHSZHLRUWBAK-UHFFFAOYSA-N 2 2 236.403 2.914 10 0 BFAELP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C1 ZINC000336896245 364844384 /nfs/dbraw/zinc/84/43/84/364844384.db2.gz NUEAOWZQJAJBIH-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C1 ZINC000336896245 364844386 /nfs/dbraw/zinc/84/43/86/364844386.db2.gz NUEAOWZQJAJBIH-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP [NH3+]CCCNc1[nH+]ccc2ccc(Cl)cc21 ZINC000044831361 181384126 /nfs/dbraw/zinc/38/41/26/181384126.db2.gz PKDXQVJVCVOSHB-UHFFFAOYSA-N 2 2 235.718 2.649 10 0 BFAELP [NH3+]CCCc1[nH]cc(-c2ccccc2Cl)[nH+]1 ZINC000036876215 181387161 /nfs/dbraw/zinc/38/71/61/181387161.db2.gz HRLWQDMTBCXPJH-UHFFFAOYSA-N 2 2 235.718 2.621 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000386276091 367943594 /nfs/dbraw/zinc/94/35/94/367943594.db2.gz PWXBXJQDUJZYQS-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000386276091 367943597 /nfs/dbraw/zinc/94/35/97/367943597.db2.gz PWXBXJQDUJZYQS-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[N@H+](C)[C@@H](c1ccc(F)cc1)[C@H]([NH3+])CC ZINC000042913728 169087294 /nfs/dbraw/zinc/08/72/94/169087294.db2.gz ZCBQDDDHXMVWIY-KGLIPLIRSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](C)[C@@H](c1ccc(F)cc1)[C@H]([NH3+])CC ZINC000042913728 169087296 /nfs/dbraw/zinc/08/72/96/169087296.db2.gz ZCBQDDDHXMVWIY-KGLIPLIRSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@H+](CC[NH2+]C)Cc1ccc(C)c(C)c1 ZINC000042404451 169159098 /nfs/dbraw/zinc/15/90/98/169159098.db2.gz CWXJPTDMXLHNAY-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CCC[N@@H+](CC[NH2+]C)Cc1ccc(C)c(C)c1 ZINC000042404451 169159101 /nfs/dbraw/zinc/15/91/01/169159101.db2.gz CWXJPTDMXLHNAY-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(C)oc1C ZINC000035586295 169290016 /nfs/dbraw/zinc/29/00/16/169290016.db2.gz POYAOWPNDJHLBZ-CYBMUJFWSA-N 2 2 247.342 2.903 10 0 BFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1occc1C ZINC000035586289 169279655 /nfs/dbraw/zinc/27/96/55/169279655.db2.gz WJHBCPIQERVYDT-NSHDSACASA-N 2 2 233.315 2.595 10 0 BFAELP CCCOc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000039789139 169322290 /nfs/dbraw/zinc/32/22/90/169322290.db2.gz MAORYKFGZDGHOH-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174820 384467910 /nfs/dbraw/zinc/46/79/10/384467910.db2.gz NPQZDQIRAIFJPU-GFCCVEGCSA-N 2 2 246.345 2.638 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174820 384467915 /nfs/dbraw/zinc/46/79/15/384467915.db2.gz NPQZDQIRAIFJPU-GFCCVEGCSA-N 2 2 246.345 2.638 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC000049555496 384682795 /nfs/dbraw/zinc/68/27/95/384682795.db2.gz RQCVJHGQQIRNNU-CYBMUJFWSA-N 2 2 228.424 2.989 10 0 BFAELP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000414550132 385729879 /nfs/dbraw/zinc/72/98/79/385729879.db2.gz MSQVKUSYZSSQDU-ZBFHGGJFSA-N 2 2 246.398 2.864 10 0 BFAELP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000414550132 385729885 /nfs/dbraw/zinc/72/98/85/385729885.db2.gz MSQVKUSYZSSQDU-ZBFHGGJFSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000414346469 386136036 /nfs/dbraw/zinc/13/60/36/386136036.db2.gz PZOQJIDPAGHEQN-ZNMIVQPWSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000414346469 386136038 /nfs/dbraw/zinc/13/60/38/386136038.db2.gz PZOQJIDPAGHEQN-ZNMIVQPWSA-N 2 2 236.403 2.639 10 0 BFAELP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397660201 386671726 /nfs/dbraw/zinc/67/17/26/386671726.db2.gz NPSBYMMQXRXLMR-XQQFMLRXSA-N 2 2 235.375 2.686 10 0 BFAELP c1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[NH2+]C2)cc1 ZINC000575332126 386683026 /nfs/dbraw/zinc/68/30/26/386683026.db2.gz QQVJBDKBHYPDFV-CABCVRRESA-N 2 2 230.355 2.576 10 0 BFAELP c1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[NH2+]C2)cc1 ZINC000575332126 386683032 /nfs/dbraw/zinc/68/30/32/386683032.db2.gz QQVJBDKBHYPDFV-CABCVRRESA-N 2 2 230.355 2.576 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396547599 386771177 /nfs/dbraw/zinc/77/11/77/386771177.db2.gz NPORIEYUPCMGRH-GUTXKFCHSA-N 2 2 232.371 2.786 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000396555671 386775519 /nfs/dbraw/zinc/77/55/19/386775519.db2.gz GISFWSGJGHRADO-COPLHBTASA-N 2 2 236.334 2.617 10 0 BFAELP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)o1 ZINC000396587427 386779208 /nfs/dbraw/zinc/77/92/08/386779208.db2.gz RTOWBLUQMFDLNU-MJVIPROJSA-N 2 2 236.359 2.688 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1F ZINC000396578379 386780204 /nfs/dbraw/zinc/78/02/04/386780204.db2.gz ODYAKHZCVMQQQK-MISXGVKJSA-N 2 2 236.334 2.617 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000396595207 386784557 /nfs/dbraw/zinc/78/45/57/386784557.db2.gz FDOOCPFZMGZCOW-WOPDTQHZSA-N 2 2 238.400 2.848 10 0 BFAELP Cc1cc[nH+]cc1NC1CC[NH+](C(C)C)CC1 ZINC000071413107 387122267 /nfs/dbraw/zinc/12/22/67/387122267.db2.gz WHYPDJNZKWRXPA-UHFFFAOYSA-N 2 2 233.359 2.675 10 0 BFAELP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000400589119 387154851 /nfs/dbraw/zinc/15/48/51/387154851.db2.gz TUGHCYMCUWITDP-GMTAPVOTSA-N 2 2 224.373 2.539 10 0 BFAELP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502048 387578693 /nfs/dbraw/zinc/57/86/93/387578693.db2.gz JSRBQHJWHVMSIX-INIZCTEOSA-N 2 2 246.398 2.823 10 0 BFAELP CCc1ccc(C[NH2+][C@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502048 387578698 /nfs/dbraw/zinc/57/86/98/387578698.db2.gz JSRBQHJWHVMSIX-INIZCTEOSA-N 2 2 246.398 2.823 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000393741780 387829556 /nfs/dbraw/zinc/82/95/56/387829556.db2.gz HNXDYBVHLZMBSQ-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000393741784 387829687 /nfs/dbraw/zinc/82/96/87/387829687.db2.gz HNXDYBVHLZMBSQ-QWHCGFSZSA-N 2 2 226.408 2.885 10 0 BFAELP CCc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000038827597 388406077 /nfs/dbraw/zinc/40/60/77/388406077.db2.gz OBRLYNTWKDKFDQ-MRXNPFEDSA-N 2 2 246.398 2.981 10 0 BFAELP CCC(CC)(CC)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000261579854 135220926 /nfs/dbraw/zinc/22/09/26/135220926.db2.gz MMEFIBPUSMKFHP-GFCCVEGCSA-N 2 2 212.381 2.626 10 0 BFAELP CCC(CC)(CC)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000261579854 135220927 /nfs/dbraw/zinc/22/09/27/135220927.db2.gz MMEFIBPUSMKFHP-GFCCVEGCSA-N 2 2 212.381 2.626 10 0 BFAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000184728835 134368799 /nfs/dbraw/zinc/36/87/99/134368799.db2.gz KPCBXDPEMDZNKS-ZDUSSCGKSA-N 2 2 249.402 2.721 10 0 BFAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000184728835 134368800 /nfs/dbraw/zinc/36/88/00/134368800.db2.gz KPCBXDPEMDZNKS-ZDUSSCGKSA-N 2 2 249.402 2.721 10 0 BFAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000184728811 134368937 /nfs/dbraw/zinc/36/89/37/134368937.db2.gz KPCBXDPEMDZNKS-CYBMUJFWSA-N 2 2 249.402 2.721 10 0 BFAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000184728811 134368938 /nfs/dbraw/zinc/36/89/38/134368938.db2.gz KPCBXDPEMDZNKS-CYBMUJFWSA-N 2 2 249.402 2.721 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000250216898 135050662 /nfs/dbraw/zinc/05/06/62/135050662.db2.gz DHAFOQWRNRRYCL-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000250216898 135050663 /nfs/dbraw/zinc/05/06/63/135050663.db2.gz DHAFOQWRNRRYCL-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000250248394 135050760 /nfs/dbraw/zinc/05/07/60/135050760.db2.gz IHADABGKAGOPLB-APIJFGDWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000250248394 135050762 /nfs/dbraw/zinc/05/07/62/135050762.db2.gz IHADABGKAGOPLB-APIJFGDWSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@H]1[C@H]([NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000211624004 398048522 /nfs/dbraw/zinc/04/85/22/398048522.db2.gz WGPDGADSQLFXDI-XJKSGUPXSA-N 2 2 244.382 2.792 10 0 BFAELP C[C@H]1[C@H]([NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000211624004 398048526 /nfs/dbraw/zinc/04/85/26/398048526.db2.gz WGPDGADSQLFXDI-XJKSGUPXSA-N 2 2 244.382 2.792 10 0 BFAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050270830 167132698 /nfs/dbraw/zinc/13/26/98/167132698.db2.gz VDNWOJXMSFTSNH-NSHDSACASA-N 2 2 246.276 2.703 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000308699488 409901855 /nfs/dbraw/zinc/90/18/55/409901855.db2.gz IJVXQQMKGGCFKJ-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000308699488 409901862 /nfs/dbraw/zinc/90/18/62/409901862.db2.gz IJVXQQMKGGCFKJ-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)[NH2+]CC[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000052374600 167109944 /nfs/dbraw/zinc/10/99/44/167109944.db2.gz IKWNGZNRFQJHEO-CYBMUJFWSA-N 2 2 232.371 2.779 10 0 BFAELP CC(C)[NH2+]C[C@@H](C)[NH+]1CCCCCCC1 ZINC000052424851 167110271 /nfs/dbraw/zinc/11/02/71/167110271.db2.gz OBRRXROTPOPGAH-CYBMUJFWSA-N 2 2 212.381 2.639 10 0 BFAELP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000062945569 167112026 /nfs/dbraw/zinc/11/20/26/167112026.db2.gz ZJVBCOKLMRHNON-CQSZACIVSA-N 2 2 246.398 2.821 10 0 BFAELP CC(C)[NH2+]C[C@@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000062945569 167112029 /nfs/dbraw/zinc/11/20/29/167112029.db2.gz ZJVBCOKLMRHNON-CQSZACIVSA-N 2 2 246.398 2.821 10 0 BFAELP CC(C)[NH2+][C@H](C[NH3+])c1csc2ccccc21 ZINC000054464615 167140170 /nfs/dbraw/zinc/14/01/70/167140170.db2.gz IQVDSRDXBZTYOY-GFCCVEGCSA-N 2 2 234.368 2.899 10 0 BFAELP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036787553 167368521 /nfs/dbraw/zinc/36/85/21/167368521.db2.gz QWEGFUWSQHZKMY-QPSCCSFWSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036787553 167368525 /nfs/dbraw/zinc/36/85/25/167368525.db2.gz QWEGFUWSQHZKMY-QPSCCSFWSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](CC1CC1)C(C)C ZINC000052345669 167398704 /nfs/dbraw/zinc/39/87/04/167398704.db2.gz KLFSEQNODFDFJM-OAHLLOKOSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](CC1CC1)C(C)C ZINC000052345669 167398709 /nfs/dbraw/zinc/39/87/09/167398709.db2.gz KLFSEQNODFDFJM-OAHLLOKOSA-N 2 2 238.419 2.883 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000401778307 411327907 /nfs/dbraw/zinc/32/79/07/411327907.db2.gz OSTOZUKUHKHOGW-IPYPFGDCSA-N 2 2 232.371 2.644 10 0 BFAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)CC(C)(C)C ZINC000386690205 411302808 /nfs/dbraw/zinc/30/28/08/411302808.db2.gz ZFUIPAWSCWCCRP-LBPRGKRZSA-N 2 2 226.408 2.885 10 0 BFAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)CC(C)(C)C ZINC000386690205 411302811 /nfs/dbraw/zinc/30/28/11/411302811.db2.gz ZFUIPAWSCWCCRP-LBPRGKRZSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(C)c2)n1C ZINC000657486457 411531062 /nfs/dbraw/zinc/53/10/62/411531062.db2.gz AZROXPNSZNZVAT-GFCCVEGCSA-N 2 2 243.354 2.888 10 0 BFAELP CC[NH2+]CCc1[nH+]c2cc(C)ccc2n1CC ZINC000051784293 170118046 /nfs/dbraw/zinc/11/80/46/170118046.db2.gz NOEYTAYDIFNOHR-UHFFFAOYSA-N 2 2 231.343 2.517 10 0 BFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000052419041 170121301 /nfs/dbraw/zinc/12/13/01/170121301.db2.gz REUPZZMDGGOITF-MRXNPFEDSA-N 2 2 246.398 2.679 10 0 BFAELP CC[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000052419041 170121302 /nfs/dbraw/zinc/12/13/02/170121302.db2.gz REUPZZMDGGOITF-MRXNPFEDSA-N 2 2 246.398 2.679 10 0 BFAELP CC[NH2+]C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575705 170121972 /nfs/dbraw/zinc/12/19/72/170121972.db2.gz WGWQVNIBPVGVJY-LBPRGKRZSA-N 2 2 231.343 2.824 10 0 BFAELP CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000052421326 170123136 /nfs/dbraw/zinc/12/31/36/170123136.db2.gz KUDJWURGVNIYJS-OAHLLOKOSA-N 2 2 232.371 2.823 10 0 BFAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(CC)CC ZINC000051399303 170124783 /nfs/dbraw/zinc/12/47/83/170124783.db2.gz PBGANMBJYFTZJF-UHFFFAOYSA-N 2 2 235.375 2.654 10 0 BFAELP CC[NH2+]Cc1ccc(-n2c[nH+]c(C)c2C)c(F)c1 ZINC000051927424 170126836 /nfs/dbraw/zinc/12/68/36/170126836.db2.gz SBHYWEWNKTVPRW-UHFFFAOYSA-N 2 2 247.317 2.738 10 0 BFAELP CC[NH2+][C@@H](C)Cn1c(CC)[nH+]c2ccccc21 ZINC000062807428 170140265 /nfs/dbraw/zinc/14/02/65/170140265.db2.gz AMTRESGPIYOZSX-NSHDSACASA-N 2 2 231.343 2.597 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183945 170151797 /nfs/dbraw/zinc/15/17/97/170151797.db2.gz DXVYQKLUNYVUFL-NWDGAFQWSA-N 2 2 238.400 2.801 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183945 170151799 /nfs/dbraw/zinc/15/17/99/170151799.db2.gz DXVYQKLUNYVUFL-NWDGAFQWSA-N 2 2 238.400 2.801 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000035570401 170163136 /nfs/dbraw/zinc/16/31/36/170163136.db2.gz IUQJCBKPEIYGII-GFCCVEGCSA-N 2 2 249.745 2.956 10 0 BFAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccc(C)o2)[C@H](C)C1 ZINC000053038527 170167431 /nfs/dbraw/zinc/16/74/31/170167431.db2.gz UHKLPHVXYIMURJ-YPMHNXCESA-N 2 2 236.359 2.550 10 0 BFAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccc(C)o2)[C@H](C)C1 ZINC000053038527 170167432 /nfs/dbraw/zinc/16/74/32/170167432.db2.gz UHKLPHVXYIMURJ-YPMHNXCESA-N 2 2 236.359 2.550 10 0 BFAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000049526083 170167471 /nfs/dbraw/zinc/16/74/71/170167471.db2.gz VLWCXXIRSBDTKL-KBPBESRZSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000049526083 170167472 /nfs/dbraw/zinc/16/74/72/170167472.db2.gz VLWCXXIRSBDTKL-KBPBESRZSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC000095091426 170170552 /nfs/dbraw/zinc/17/05/52/170170552.db2.gz SJUGAQIIRSKZHV-OAHLLOKOSA-N 2 2 232.371 2.651 10 0 BFAELP CC[NH2+][C@]1(C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095091426 170170553 /nfs/dbraw/zinc/17/05/53/170170553.db2.gz SJUGAQIIRSKZHV-OAHLLOKOSA-N 2 2 232.371 2.651 10 0 BFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043025422 170867831 /nfs/dbraw/zinc/86/78/31/170867831.db2.gz ZNBHFCMHRHJJLG-HUUCEWRRSA-N 2 2 248.370 2.569 10 0 BFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000037172773 171274042 /nfs/dbraw/zinc/27/40/42/171274042.db2.gz ASAXHKKWFIADEO-FZMZJTMJSA-N 2 2 238.350 2.803 10 0 BFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000037172773 171274043 /nfs/dbraw/zinc/27/40/43/171274043.db2.gz ASAXHKKWFIADEO-FZMZJTMJSA-N 2 2 238.350 2.803 10 0 BFAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+](Cc1ccco1)C1CC1 ZINC000042693286 171372765 /nfs/dbraw/zinc/37/27/65/171372765.db2.gz ASWTXPIFWWDIES-FZMZJTMJSA-N 2 2 236.359 2.617 10 0 BFAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](Cc1ccco1)C1CC1 ZINC000042693286 171372766 /nfs/dbraw/zinc/37/27/66/171372766.db2.gz ASWTXPIFWWDIES-FZMZJTMJSA-N 2 2 236.359 2.617 10 0 BFAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000042545798 173124018 /nfs/dbraw/zinc/12/40/18/173124018.db2.gz YXSBWGNDYLNJOZ-GBJTYRQASA-N 2 2 236.403 2.639 10 0 BFAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000042545798 173124020 /nfs/dbraw/zinc/12/40/20/173124020.db2.gz YXSBWGNDYLNJOZ-GBJTYRQASA-N 2 2 236.403 2.639 10 0 BFAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425179 173361888 /nfs/dbraw/zinc/36/18/88/173361888.db2.gz MQJZWFQYLPUTLY-AWEZNQCLSA-N 2 2 238.350 2.502 10 0 BFAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425179 173361890 /nfs/dbraw/zinc/36/18/90/173361890.db2.gz MQJZWFQYLPUTLY-AWEZNQCLSA-N 2 2 238.350 2.502 10 0 BFAELP COc1ccc2c(c1)[nH+]c(CCC[NH3+])n2C(C)C ZINC000074297520 175218633 /nfs/dbraw/zinc/21/86/33/175218633.db2.gz ORCAYNFUVWWQSB-UHFFFAOYSA-N 2 2 247.342 2.517 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000019807658 176069199 /nfs/dbraw/zinc/06/91/99/176069199.db2.gz XPOLMUYZAIZNLK-CYBMUJFWSA-N 2 2 224.392 2.913 10 0 BFAELP C[C@@H]1CCCC[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000019807658 176069201 /nfs/dbraw/zinc/06/92/01/176069201.db2.gz XPOLMUYZAIZNLK-CYBMUJFWSA-N 2 2 224.392 2.913 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000023066570 176075527 /nfs/dbraw/zinc/07/55/27/176075527.db2.gz TXWVOKHNIWJXBF-FRRDWIJNSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000023066570 176075529 /nfs/dbraw/zinc/07/55/29/176075529.db2.gz TXWVOKHNIWJXBF-FRRDWIJNSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccco1 ZINC000035701628 176083539 /nfs/dbraw/zinc/08/35/39/176083539.db2.gz NPXLXQYRYPWVMY-OCCSQVGLSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccco1 ZINC000035701628 176083540 /nfs/dbraw/zinc/08/35/40/176083540.db2.gz NPXLXQYRYPWVMY-OCCSQVGLSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)CC1CCC1 ZINC000061455522 176090586 /nfs/dbraw/zinc/09/05/86/176090586.db2.gz OBEWZWWXLVWHIY-TZMCWYRMSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)CC1CCC1 ZINC000061455522 176090587 /nfs/dbraw/zinc/09/05/87/176090587.db2.gz OBEWZWWXLVWHIY-TZMCWYRMSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[C@H]([N@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492443 176140716 /nfs/dbraw/zinc/14/07/16/176140716.db2.gz DTXROVOXKHXSII-OLZOCXBDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@H]([N@@H+](C)C2(C[NH3+])CCCC2)C1 ZINC000042492443 176140717 /nfs/dbraw/zinc/14/07/17/176140717.db2.gz DTXROVOXKHXSII-OLZOCXBDSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)CC2CCC2)C1 ZINC000061455497 176151725 /nfs/dbraw/zinc/15/17/25/176151725.db2.gz BGHVYERUJDYCBM-OCCSQVGLSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)CC2CCC2)C1 ZINC000061455497 176151726 /nfs/dbraw/zinc/15/17/26/176151726.db2.gz BGHVYERUJDYCBM-OCCSQVGLSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000336440596 176229383 /nfs/dbraw/zinc/22/93/83/176229383.db2.gz JMAMNAIPYLJFEG-YPMHNXCESA-N 2 2 233.359 2.778 10 0 BFAELP C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000038088387 176421918 /nfs/dbraw/zinc/42/19/18/176421918.db2.gz DRDHLDXJDRCCLN-UPJWGTAASA-N 2 2 226.408 2.741 10 0 BFAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([NH+]2CCCC2)C1 ZINC000019807631 177063901 /nfs/dbraw/zinc/06/39/01/177063901.db2.gz VHPOCADVFHCBJY-GXTWGEPZSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCCC[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000019807659 177073654 /nfs/dbraw/zinc/07/36/54/177073654.db2.gz XPOLMUYZAIZNLK-ZDUSSCGKSA-N 2 2 224.392 2.913 10 0 BFAELP C[C@H]1CCCC[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000019807659 177073656 /nfs/dbraw/zinc/07/36/56/177073656.db2.gz XPOLMUYZAIZNLK-ZDUSSCGKSA-N 2 2 224.392 2.913 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000022173800 177078661 /nfs/dbraw/zinc/07/86/61/177078661.db2.gz SUAVHSPFZINRJH-JQWIXIFHSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccsc1 ZINC000022173800 177078662 /nfs/dbraw/zinc/07/86/62/177078662.db2.gz SUAVHSPFZINRJH-JQWIXIFHSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052376172 177111834 /nfs/dbraw/zinc/11/18/34/177111834.db2.gz UXRQFCKENYNOPZ-BBRMVZONSA-N 2 2 244.382 2.964 10 0 BFAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052376172 177111835 /nfs/dbraw/zinc/11/18/35/177111835.db2.gz UXRQFCKENYNOPZ-BBRMVZONSA-N 2 2 244.382 2.964 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000051746847 177158888 /nfs/dbraw/zinc/15/88/88/177158888.db2.gz YGDHYRBMRRZAOR-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1([NH3+])CCCCC1 ZINC000051746847 177158890 /nfs/dbraw/zinc/15/88/90/177158890.db2.gz YGDHYRBMRRZAOR-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1C[NH2+]CC[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437115 177283244 /nfs/dbraw/zinc/28/32/44/177283244.db2.gz GTRTYCJABHDMPS-LBPRGKRZSA-N 2 2 226.408 2.743 10 0 BFAELP C[C@H]1C[NH2+]CC[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437115 177283245 /nfs/dbraw/zinc/28/32/45/177283245.db2.gz GTRTYCJABHDMPS-LBPRGKRZSA-N 2 2 226.408 2.743 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000019807789 177314614 /nfs/dbraw/zinc/31/46/14/177314614.db2.gz QNONGFRAVHVBLX-KBXIAJHMSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000019807789 177314616 /nfs/dbraw/zinc/31/46/16/177314616.db2.gz QNONGFRAVHVBLX-KBXIAJHMSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000022173332 177358178 /nfs/dbraw/zinc/35/81/78/177358178.db2.gz XTFZCWAPCWICTP-SRVKXCTJSA-N 2 2 238.400 2.726 10 0 BFAELP CCCc1[nH+]c2ccccc2n1C[C@@H]1CC[NH2+]C1 ZINC000163553047 487744721 /nfs/dbraw/zinc/74/47/21/487744721.db2.gz GNTXCQJNTXTWHA-GFCCVEGCSA-N 2 2 243.354 2.598 10 0 BFAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166525 324387092 /nfs/dbraw/zinc/38/70/92/324387092.db2.gz BGPMDSFISUKNAC-MJBXVCDLSA-N 2 2 228.424 2.987 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000250377951 535583183 /nfs/dbraw/zinc/58/31/83/535583183.db2.gz WODZBUNRIICCMA-ILXRZTDVSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000250377951 535583191 /nfs/dbraw/zinc/58/31/91/535583191.db2.gz WODZBUNRIICCMA-ILXRZTDVSA-N 2 2 238.419 2.887 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000171614234 536172890 /nfs/dbraw/zinc/17/28/90/536172890.db2.gz KITVFBIBYIMJGJ-CYBMUJFWSA-N 2 2 235.375 2.738 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000171614234 536172896 /nfs/dbraw/zinc/17/28/96/536172896.db2.gz KITVFBIBYIMJGJ-CYBMUJFWSA-N 2 2 235.375 2.738 10 0 BFAELP CC[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000062796977 535526150 /nfs/dbraw/zinc/52/61/50/535526150.db2.gz GIPCVJNUDDEUPN-UHFFFAOYSA-N 2 2 247.386 2.569 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000250216894 535540012 /nfs/dbraw/zinc/54/00/12/535540012.db2.gz DHAFOQWRNRRYCL-BARDWOONSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000250216894 535540018 /nfs/dbraw/zinc/54/00/18/535540018.db2.gz DHAFOQWRNRRYCL-BARDWOONSA-N 2 2 238.419 2.885 10 0 BFAELP CC(C)[C@@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757130911 582504983 /nfs/dbraw/zinc/50/49/83/582504983.db2.gz OLRCPBYNTHWDAS-UKRRQHHQSA-N 2 2 236.403 2.591 10 0 BFAELP CC(C)[C@@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757130911 582504984 /nfs/dbraw/zinc/50/49/84/582504984.db2.gz OLRCPBYNTHWDAS-UKRRQHHQSA-N 2 2 236.403 2.591 10 0 BFAELP CCC[C@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129911 586426414 /nfs/dbraw/zinc/42/64/14/586426414.db2.gz NBLUBLPWOUGPDM-ZFWWWQNUSA-N 2 2 236.403 2.735 10 0 BFAELP CCC[C@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129911 586426415 /nfs/dbraw/zinc/42/64/15/586426415.db2.gz NBLUBLPWOUGPDM-ZFWWWQNUSA-N 2 2 236.403 2.735 10 0 BFAELP C[C@@H]1C[C@H](c2cscc2C(F)F)[NH2+]C[C@@H]1[NH3+] ZINC000757210154 586437024 /nfs/dbraw/zinc/43/70/24/586437024.db2.gz AIZBIXKDIBORII-WHFVKQHSSA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H]1CC[NH2+][C@H](c2cscc2C(F)F)[C@@H]1[NH3+] ZINC000757236222 586443638 /nfs/dbraw/zinc/44/36/38/586443638.db2.gz NPXUKCMINMYJPO-BDODKLCJSA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cscc2C(F)F)[NH2+]1 ZINC000757235845 586443919 /nfs/dbraw/zinc/44/39/19/586443919.db2.gz MXJKCPDUMJTYMB-WHFVKQHSSA-N 2 2 246.326 2.826 10 0 BFAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cscc1C(F)F ZINC000757239543 586444422 /nfs/dbraw/zinc/44/44/22/586444422.db2.gz UNPVPRGVMKJQOL-FWWHASMVSA-N 2 2 246.326 2.684 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+]CCCCC(C)C)[C@@H](C)C1 ZINC000309651866 632615967 /nfs/dbraw/zinc/61/59/67/632615967.db2.gz OIPDVPQRPLTECJ-KBPBESRZSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+]CCCCC(C)C)[C@@H](C)C1 ZINC000309651866 632615973 /nfs/dbraw/zinc/61/59/73/632615973.db2.gz OIPDVPQRPLTECJ-KBPBESRZSA-N 2 2 226.408 2.743 10 0 BFAELP CC1(C)CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000719277549 712803162 /nfs/dbraw/zinc/80/31/62/712803162.db2.gz VMQVRMAEDSINMS-CYBMUJFWSA-N 2 2 235.375 2.832 10 0 BFAELP Cc1cc(NC2CCC([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000051693978 178154758 /nfs/dbraw/zinc/15/47/58/178154758.db2.gz IIWSMLGJWFYRSB-UHFFFAOYSA-N 2 2 248.374 2.590 10 0 BFAELP Cc1cc(N[C@@H](C[NH+](C)C)C(C)C)ccc1[NH3+] ZINC000049194732 178180865 /nfs/dbraw/zinc/18/08/65/178180865.db2.gz VDWUHVFBZFTHFR-AWEZNQCLSA-N 2 2 235.375 2.575 10 0 BFAELP Cc1cc(OC2CC[NH2+]CC2)cc2cc[nH+]cc12 ZINC000090684638 178208473 /nfs/dbraw/zinc/20/84/73/178208473.db2.gz MDMPKHNPBLZIPR-UHFFFAOYSA-N 2 2 242.322 2.674 10 0 BFAELP Cc1cc(OC[C@H]2CCC[NH2+]2)c2ccccc2[nH+]1 ZINC000051865906 178212319 /nfs/dbraw/zinc/21/23/19/178212319.db2.gz YAVZOVKCNZEQRJ-GFCCVEGCSA-N 2 2 242.322 2.674 10 0 BFAELP Cc1cc2ccccc2[nH+]c1N(C)[C@@H](C)CC[NH3+] ZINC000063105438 178298821 /nfs/dbraw/zinc/29/88/21/178298821.db2.gz JRERPQSRHVJRAG-LBPRGKRZSA-N 2 2 243.354 2.717 10 0 BFAELP Cc1cc2[nH+]cn([C@@H]3CCC[NH2+]C3)c2cc1C ZINC000042290515 178305407 /nfs/dbraw/zinc/30/54/07/178305407.db2.gz WVLGMTDQAGAFDI-GFCCVEGCSA-N 2 2 229.327 2.578 10 0 BFAELP CCC(CC)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000036788708 168368893 /nfs/dbraw/zinc/36/88/93/168368893.db2.gz OXTSRFBMMZSJDU-AWEZNQCLSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000036788708 168368895 /nfs/dbraw/zinc/36/88/95/168368895.db2.gz OXTSRFBMMZSJDU-AWEZNQCLSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000036788853 168369289 /nfs/dbraw/zinc/36/92/89/168369289.db2.gz SEHJFXKQZGKXRX-AWEZNQCLSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@@H+](C)[C@@H](C[NH3+])c1ccccc1F ZINC000036788853 168369290 /nfs/dbraw/zinc/36/92/90/168369290.db2.gz SEHJFXKQZGKXRX-AWEZNQCLSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@H+](C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000036788664 168369380 /nfs/dbraw/zinc/36/93/80/168369380.db2.gz ICWONYYCJNDBRC-CQSZACIVSA-N 2 2 238.350 2.946 10 0 BFAELP CCC(CC)[N@@H+](C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000036788664 168369383 /nfs/dbraw/zinc/36/93/83/168369383.db2.gz ICWONYYCJNDBRC-CQSZACIVSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188407980 538978626 /nfs/dbraw/zinc/97/86/26/538978626.db2.gz FQUARMCFRXDLAE-ZIAGYGMSSA-N 2 2 235.375 2.784 10 0 BFAELP CCC[C@@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188407980 538978627 /nfs/dbraw/zinc/97/86/27/538978627.db2.gz FQUARMCFRXDLAE-ZIAGYGMSSA-N 2 2 235.375 2.784 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000390463797 539022106 /nfs/dbraw/zinc/02/21/06/539022106.db2.gz GYOTZKXXZHEZRK-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000390463797 539022107 /nfs/dbraw/zinc/02/21/07/539022107.db2.gz GYOTZKXXZHEZRK-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP [NH3+][C@H](c1ccc(F)cc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000022942734 343057100 /nfs/dbraw/zinc/05/71/00/343057100.db2.gz DWKHQEHNAPMAGG-OKILXGFUSA-N 2 2 248.276 2.665 10 0 BFAELP CCCc1[nH+]c2ccccc2n1CCC[NH2+]C ZINC000163542375 343206878 /nfs/dbraw/zinc/20/68/78/343206878.db2.gz OLOSWDIPCWICKL-UHFFFAOYSA-N 2 2 231.343 2.598 10 0 BFAELP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816619 344236486 /nfs/dbraw/zinc/23/64/86/344236486.db2.gz VCVBIOUCDPGCGJ-KBPBESRZSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816619 344236487 /nfs/dbraw/zinc/23/64/87/344236487.db2.gz VCVBIOUCDPGCGJ-KBPBESRZSA-N 2 2 234.387 2.895 10 0 BFAELP CC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816498 344236657 /nfs/dbraw/zinc/23/66/57/344236657.db2.gz VTNGGEVJIHEXIA-ZFWWWQNUSA-N 2 2 234.387 2.895 10 0 BFAELP CC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816498 344236658 /nfs/dbraw/zinc/23/66/58/344236658.db2.gz VTNGGEVJIHEXIA-ZFWWWQNUSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816617 344236832 /nfs/dbraw/zinc/23/68/32/344236832.db2.gz VCVBIOUCDPGCGJ-ZIAGYGMSSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816617 344236834 /nfs/dbraw/zinc/23/68/34/344236834.db2.gz VCVBIOUCDPGCGJ-ZIAGYGMSSA-N 2 2 234.387 2.895 10 0 BFAELP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)ccc1Cl ZINC000675054016 537890714 /nfs/dbraw/zinc/89/07/14/537890714.db2.gz LJYLKSVFFRRPIM-YPMHNXCESA-N 2 2 238.762 2.742 10 0 BFAELP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)ccc1Cl ZINC000675054016 537890721 /nfs/dbraw/zinc/89/07/21/537890721.db2.gz LJYLKSVFFRRPIM-YPMHNXCESA-N 2 2 238.762 2.742 10 0 BFAELP CC(C)(C)c1[nH+]c2ccccc2n1CCC[NH3+] ZINC000020223196 259391698 /nfs/dbraw/zinc/39/16/98/259391698.db2.gz AJPCXRNBQRNAOK-UHFFFAOYSA-N 2 2 231.343 2.683 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000036875114 179184901 /nfs/dbraw/zinc/18/49/01/179184901.db2.gz UMTOJICFWWTPOB-DZGCQCFKSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000036875114 179184903 /nfs/dbraw/zinc/18/49/03/179184903.db2.gz UMTOJICFWWTPOB-DZGCQCFKSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C)c1 ZINC000042965470 179188065 /nfs/dbraw/zinc/18/80/65/179188065.db2.gz JONUYWJGGCOWDM-TZMCWYRMSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C)c1 ZINC000042965470 179188070 /nfs/dbraw/zinc/18/80/70/179188070.db2.gz JONUYWJGGCOWDM-TZMCWYRMSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1C[N@@H+]1CCC[C@H]1C[NH2+]C1CC1 ZINC000053649347 179273293 /nfs/dbraw/zinc/27/32/93/179273293.db2.gz HHCQJWUSLYNRDX-INIZCTEOSA-N 2 2 244.382 2.711 10 0 BFAELP Cc1ccccc1C[N@H+]1CCC[C@H]1C[NH2+]C1CC1 ZINC000053649347 179273296 /nfs/dbraw/zinc/27/32/96/179273296.db2.gz HHCQJWUSLYNRDX-INIZCTEOSA-N 2 2 244.382 2.711 10 0 BFAELP Cc1ccccc1C[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000049195149 179283280 /nfs/dbraw/zinc/28/32/80/179283280.db2.gz MJEGKZZQRQLEQD-HNNXBMFYSA-N 2 2 234.387 2.671 10 0 BFAELP Cc1ccccc1[C@@H](C)[NH2+]CC[N@H+](C)C1CC1 ZINC000061992689 179321215 /nfs/dbraw/zinc/32/12/15/179321215.db2.gz VUZBRRBDJRSCQG-CYBMUJFWSA-N 2 2 232.371 2.740 10 0 BFAELP Cc1ccccc1[C@@H](C)[NH2+]CC[N@@H+](C)C1CC1 ZINC000061992689 179321216 /nfs/dbraw/zinc/32/12/16/179321216.db2.gz VUZBRRBDJRSCQG-CYBMUJFWSA-N 2 2 232.371 2.740 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358396819 179338308 /nfs/dbraw/zinc/33/83/08/179338308.db2.gz JTUPTKKKKADBTK-KCQAQPDRSA-N 2 2 232.371 2.596 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358396819 179338311 /nfs/dbraw/zinc/33/83/11/179338311.db2.gz JTUPTKKKKADBTK-KCQAQPDRSA-N 2 2 232.371 2.596 10 0 BFAELP CC(C)[NH+](C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1)C(C)C ZINC000669381685 537996109 /nfs/dbraw/zinc/99/61/09/537996109.db2.gz RNRUPUOKRBBZSZ-RDBSUJKOSA-N 2 2 226.408 2.882 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000022210775 179342869 /nfs/dbraw/zinc/34/28/69/179342869.db2.gz KMZVXCZNYLLORD-ZFWWWQNUSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000022210775 179342871 /nfs/dbraw/zinc/34/28/71/179342871.db2.gz KMZVXCZNYLLORD-ZFWWWQNUSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1[nH+]c2cc(C[NH3+])ccc2n1C1CCCC1 ZINC000062214027 180078081 /nfs/dbraw/zinc/07/80/81/180078081.db2.gz SYHBXQZXOTWELY-UHFFFAOYSA-N 2 2 229.327 2.919 10 0 BFAELP Cc1[nH+]c2ccccc2n1[C@H](C)C[NH2+]C1CC1 ZINC000053524127 180104393 /nfs/dbraw/zinc/10/43/93/180104393.db2.gz BQENAGNZEKHLIP-SNVBAGLBSA-N 2 2 229.327 2.658 10 0 BFAELP Cc1[nH+]cccc1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132166243 180227851 /nfs/dbraw/zinc/22/78/51/180227851.db2.gz IAZOZEOUVRVPPR-UKRRQHHQSA-N 2 2 239.322 2.947 10 0 BFAELP Cc1[nH+]cccc1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132165826 180228762 /nfs/dbraw/zinc/22/87/62/180228762.db2.gz IAZOZEOUVRVPPR-DZGCQCFKSA-N 2 2 239.322 2.947 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000120153661 180267144 /nfs/dbraw/zinc/26/71/44/180267144.db2.gz BUYUTGGZXCWLFV-AWEZNQCLSA-N 2 2 233.359 2.599 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000120153661 180267145 /nfs/dbraw/zinc/26/71/45/180267145.db2.gz BUYUTGGZXCWLFV-AWEZNQCLSA-N 2 2 233.359 2.599 10 0 BFAELP CC(C)[NH2+]CC[N@H+](Cc1ccccc1)C(C)C ZINC000037610408 350273166 /nfs/dbraw/zinc/27/31/66/350273166.db2.gz OPMLXOCXAGGXPK-UHFFFAOYSA-N 2 2 234.387 2.895 10 0 BFAELP CC(C)[NH2+]CC[N@@H+](Cc1ccccc1)C(C)C ZINC000037610408 350273168 /nfs/dbraw/zinc/27/31/68/350273168.db2.gz OPMLXOCXAGGXPK-UHFFFAOYSA-N 2 2 234.387 2.895 10 0 BFAELP Cc1[nH+]cn(-c2ccccc2[C@H](C)[NH3+])c1C ZINC000051927175 180285235 /nfs/dbraw/zinc/28/52/35/180285235.db2.gz SQXLXFZCAPEXJG-VIFPVBQESA-N 2 2 215.300 2.509 10 0 BFAELP CC(C)[N@@H+]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616600863 350780320 /nfs/dbraw/zinc/78/03/20/350780320.db2.gz HBUWAZJHCJTRJD-ZDUSSCGKSA-N 2 2 233.359 2.756 10 0 BFAELP CC(C)[N@H+]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616600863 350780321 /nfs/dbraw/zinc/78/03/21/350780321.db2.gz HBUWAZJHCJTRJD-ZDUSSCGKSA-N 2 2 233.359 2.756 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616601070 350781113 /nfs/dbraw/zinc/78/11/13/350781113.db2.gz KILKLOKQTDQBDR-GFCCVEGCSA-N 2 2 247.386 2.862 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616601070 350781117 /nfs/dbraw/zinc/78/11/17/350781117.db2.gz KILKLOKQTDQBDR-GFCCVEGCSA-N 2 2 247.386 2.862 10 0 BFAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000036785015 188112559 /nfs/dbraw/zinc/11/25/59/188112559.db2.gz LTTYHHGWQHWRLS-SWLSCSKDSA-N 2 2 232.371 2.725 10 0 BFAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000036785015 188112560 /nfs/dbraw/zinc/11/25/60/188112560.db2.gz LTTYHHGWQHWRLS-SWLSCSKDSA-N 2 2 232.371 2.725 10 0 BFAELP CC(C)[N@H+](C)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042970727 188121753 /nfs/dbraw/zinc/12/17/53/188121753.db2.gz JOGQOHPIGJGCJX-MFKMUULPSA-N 2 2 224.323 2.554 10 0 BFAELP CC(C)[N@@H+](C)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042970727 188121755 /nfs/dbraw/zinc/12/17/55/188121755.db2.gz JOGQOHPIGJGCJX-MFKMUULPSA-N 2 2 224.323 2.554 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309388006 188168640 /nfs/dbraw/zinc/16/86/40/188168640.db2.gz SLTNVMKRNRCUKR-AAVRWANBSA-N 2 2 226.408 2.597 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000040502059 358493348 /nfs/dbraw/zinc/49/33/48/358493348.db2.gz VQKKONCWCKSNCU-AWEZNQCLSA-N 2 2 224.392 2.783 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000040502059 358493354 /nfs/dbraw/zinc/49/33/54/358493354.db2.gz VQKKONCWCKSNCU-AWEZNQCLSA-N 2 2 224.392 2.783 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000040502042 358492818 /nfs/dbraw/zinc/49/28/18/358492818.db2.gz ZFSMJJUDDVODKR-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000040502042 358492819 /nfs/dbraw/zinc/49/28/19/358492819.db2.gz ZFSMJJUDDVODKR-OAHLLOKOSA-N 2 2 232.371 2.569 10 0 BFAELP NC(=[NH2+])CCCCn1cc[nH+]c1-c1ccccc1 ZINC000049579835 181186994 /nfs/dbraw/zinc/18/69/94/181186994.db2.gz ASNAFUFNEUNMFA-UHFFFAOYSA-N 2 2 242.326 2.656 10 0 BFAELP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389166565 355741537 /nfs/dbraw/zinc/74/15/37/355741537.db2.gz MSIMRTUNJXDXQZ-CVEARBPZSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389166565 355741539 /nfs/dbraw/zinc/74/15/39/355741539.db2.gz MSIMRTUNJXDXQZ-CVEARBPZSA-N 2 2 246.398 2.692 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389248904 355935575 /nfs/dbraw/zinc/93/55/75/355935575.db2.gz MITXOPKZDKBZNV-KBPBESRZSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389248904 355935581 /nfs/dbraw/zinc/93/55/81/355935581.db2.gz MITXOPKZDKBZNV-KBPBESRZSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000389271224 355938849 /nfs/dbraw/zinc/93/88/49/355938849.db2.gz RAYBTFJDZJYXOA-AAEUAGOBSA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000389271224 355938851 /nfs/dbraw/zinc/93/88/51/355938851.db2.gz RAYBTFJDZJYXOA-AAEUAGOBSA-N 2 2 238.400 2.801 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389268633 355943829 /nfs/dbraw/zinc/94/38/29/355943829.db2.gz QLQSWMPSOJTNMT-ILXRZTDVSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389268633 355943830 /nfs/dbraw/zinc/94/38/30/355943830.db2.gz QLQSWMPSOJTNMT-ILXRZTDVSA-N 2 2 236.403 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000393741782 259465990 /nfs/dbraw/zinc/46/59/90/259465990.db2.gz HNXDYBVHLZMBSQ-OLZOCXBDSA-N 2 2 226.408 2.885 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H]1C ZINC000252125148 535305479 /nfs/dbraw/zinc/30/54/79/535305479.db2.gz JYKNXUGAVRMDFX-MCIONIFRSA-N 2 2 226.408 2.741 10 0 BFAELP C[C@H](C[NH2+]CC1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000231329599 357612608 /nfs/dbraw/zinc/61/26/08/357612608.db2.gz NWDLXISPEGNFNL-ROKHWSDSSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@H](C[NH2+]CC1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000231329599 357612613 /nfs/dbraw/zinc/61/26/13/357612613.db2.gz NWDLXISPEGNFNL-ROKHWSDSSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H](C[NH2+]CC1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000231329596 357612791 /nfs/dbraw/zinc/61/27/91/357612791.db2.gz NWDLXISPEGNFNL-MOKVOYLWSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H](C[NH2+]CC1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000231329596 357612796 /nfs/dbraw/zinc/61/27/96/357612796.db2.gz NWDLXISPEGNFNL-MOKVOYLWSA-N 2 2 238.419 2.885 10 0 BFAELP Nc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)cc[nH+]1 ZINC000193350513 357879094 /nfs/dbraw/zinc/87/90/94/357879094.db2.gz ZLFCHHVWUKZZCQ-GFCCVEGCSA-N 2 2 243.310 2.594 10 0 BFAELP Nc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)cc[nH+]1 ZINC000193350513 357879097 /nfs/dbraw/zinc/87/90/97/357879097.db2.gz ZLFCHHVWUKZZCQ-GFCCVEGCSA-N 2 2 243.310 2.594 10 0 BFAELP CCCC[C@H](C[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000130533678 358631218 /nfs/dbraw/zinc/63/12/18/358631218.db2.gz XXZKPTPBNJQHTG-LLVKDONJSA-N 2 2 246.358 2.503 10 0 BFAELP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246410594 359078685 /nfs/dbraw/zinc/07/86/85/359078685.db2.gz MKTRXCQMWBAZLX-CFVMTHIKSA-N 2 2 232.371 2.820 10 0 BFAELP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000246410594 359078692 /nfs/dbraw/zinc/07/86/92/359078692.db2.gz MKTRXCQMWBAZLX-CFVMTHIKSA-N 2 2 232.371 2.820 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000247207890 359201323 /nfs/dbraw/zinc/20/13/23/359201323.db2.gz WTPPQJOJWMQMMB-IHRRRGAJSA-N 2 2 248.370 2.865 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000247207890 359201327 /nfs/dbraw/zinc/20/13/27/359201327.db2.gz WTPPQJOJWMQMMB-IHRRRGAJSA-N 2 2 248.370 2.865 10 0 BFAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCC(C)CC1 ZINC000089576266 360027776 /nfs/dbraw/zinc/02/77/76/360027776.db2.gz OOPXTDUGGMRJMW-ROKHWSDSSA-N 2 2 235.375 2.688 10 0 BFAELP CC[NH+](CC)CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000006869573 361044097 /nfs/dbraw/zinc/04/40/97/361044097.db2.gz RNNGMBHWJHMUJQ-UHFFFAOYSA-N 2 2 245.370 2.995 10 0 BFAELP [NH3+]CC1([N@H+](Cc2ccco2)C2CC2)CCCCC1 ZINC000042692833 181360613 /nfs/dbraw/zinc/36/06/13/181360613.db2.gz AIIULECHBFDBPX-UHFFFAOYSA-N 2 2 248.370 2.906 10 0 BFAELP [NH3+]CC1([N@@H+](Cc2ccco2)C2CC2)CCCCC1 ZINC000042692833 181360615 /nfs/dbraw/zinc/36/06/15/181360615.db2.gz AIIULECHBFDBPX-UHFFFAOYSA-N 2 2 248.370 2.906 10 0 BFAELP [NH3+]CCCCCn1cc[nH+]c1-c1ccccc1 ZINC000049582079 181376102 /nfs/dbraw/zinc/37/61/02/181376102.db2.gz HUBVMAGETKCALW-UHFFFAOYSA-N 2 2 229.327 2.679 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000168491369 364940188 /nfs/dbraw/zinc/94/01/88/364940188.db2.gz CYYKLSOZIHMJDI-IPYPFGDCSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000168491369 364940191 /nfs/dbraw/zinc/94/01/91/364940191.db2.gz CYYKLSOZIHMJDI-IPYPFGDCSA-N 2 2 238.419 2.883 10 0 BFAELP [NH3+]CCCc1[nH]cc(-c2cccc(Cl)c2)[nH+]1 ZINC000036876234 181387057 /nfs/dbraw/zinc/38/70/57/181387057.db2.gz FOKFRVVNNNVOKM-UHFFFAOYSA-N 2 2 235.718 2.621 10 0 BFAELP [NH3+]CC[N@H+](Cc1ccc(F)cc1)C1CCCC1 ZINC000032090105 181390126 /nfs/dbraw/zinc/39/01/26/181390126.db2.gz LHUNHMJADIHTSQ-UHFFFAOYSA-N 2 2 236.334 2.529 10 0 BFAELP [NH3+]CC[N@@H+](Cc1ccc(F)cc1)C1CCCC1 ZINC000032090105 181390128 /nfs/dbraw/zinc/39/01/28/181390128.db2.gz LHUNHMJADIHTSQ-UHFFFAOYSA-N 2 2 236.334 2.529 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC[C@H](C)C[NH3+] ZINC000086634504 368882762 /nfs/dbraw/zinc/88/27/62/368882762.db2.gz OLWJEMGHQRVQQW-SNVBAGLBSA-N 2 2 229.327 2.550 10 0 BFAELP CCCC[C@H](C[NH3+])[N@H+](Cc1ccco1)C1CC1 ZINC000042692768 169002437 /nfs/dbraw/zinc/00/24/37/169002437.db2.gz GPIWTBGKVADTMJ-CYBMUJFWSA-N 2 2 236.359 2.762 10 0 BFAELP CCCC[C@H](C[NH3+])[N@@H+](Cc1ccco1)C1CC1 ZINC000042692768 169002439 /nfs/dbraw/zinc/00/24/39/169002439.db2.gz GPIWTBGKVADTMJ-CYBMUJFWSA-N 2 2 236.359 2.762 10 0 BFAELP CCCCc1ccc(-c2[nH+]c[nH]c2CC[NH3+])cc1 ZINC000071557847 169019619 /nfs/dbraw/zinc/01/96/19/169019619.db2.gz IENNAGDVKLARSX-UHFFFAOYSA-N 2 2 243.354 2.921 10 0 BFAELP CCCCc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000071522713 169021606 /nfs/dbraw/zinc/02/16/06/169021606.db2.gz ZUVIVTXNEZFLHY-CQSZACIVSA-N 2 2 220.360 2.591 10 0 BFAELP CCC[NH+](CCC)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000023070898 169151805 /nfs/dbraw/zinc/15/18/05/169151805.db2.gz VUOJECIVRFASCS-AGIUHOORSA-N 2 2 212.381 2.624 10 0 BFAELP CCC[N@H+](CC)[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043083 169131787 /nfs/dbraw/zinc/13/17/87/169131787.db2.gz JEHLNBWRWAHAIO-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](CC)[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043083 169131788 /nfs/dbraw/zinc/13/17/88/169131788.db2.gz JEHLNBWRWAHAIO-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[NH+](CCC)[C@H]1CCc2[nH+]c(N)ccc2C1 ZINC000013742652 169152264 /nfs/dbraw/zinc/15/22/64/169152264.db2.gz QDXLLGQCGFUDMI-ZDUSSCGKSA-N 2 2 247.386 2.643 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1F ZINC000035586566 169289768 /nfs/dbraw/zinc/28/97/68/169289768.db2.gz DDUUTDQZSSUJKY-CYBMUJFWSA-N 2 2 247.317 2.832 10 0 BFAELP CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000050585130 169266755 /nfs/dbraw/zinc/26/67/55/169266755.db2.gz FCZAHVOHYSKONW-UHFFFAOYSA-N 2 2 229.327 2.680 10 0 BFAELP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)C ZINC000310034180 384590825 /nfs/dbraw/zinc/59/08/25/384590825.db2.gz SITBOFNFHLAUBA-CYBMUJFWSA-N 2 2 226.408 2.887 10 0 BFAELP CC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000083055432 384740682 /nfs/dbraw/zinc/74/06/82/384740682.db2.gz JXJRZRVLNAAYFK-KGLIPLIRSA-N 2 2 226.408 2.741 10 0 BFAELP CCC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000310041231 384810301 /nfs/dbraw/zinc/81/03/01/384810301.db2.gz YKHPXIQXDRRDMC-UONOGXRCSA-N 2 2 224.392 2.641 10 0 BFAELP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000252709865 385190811 /nfs/dbraw/zinc/19/08/11/385190811.db2.gz FAUJDKMHTMCDCR-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000252709865 385190813 /nfs/dbraw/zinc/19/08/13/385190813.db2.gz FAUJDKMHTMCDCR-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)[C@H]1C ZINC000311082019 385301383 /nfs/dbraw/zinc/30/13/83/385301383.db2.gz MDPCTSRFPLHNFG-VRKREXBASA-N 2 2 246.398 2.923 10 0 BFAELP CC(C)=CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293140 385349882 /nfs/dbraw/zinc/34/98/82/385349882.db2.gz FRHZYBBTMYNYPN-AWEZNQCLSA-N 2 2 233.359 2.622 10 0 BFAELP CC(C)=CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293140 385349885 /nfs/dbraw/zinc/34/98/85/385349885.db2.gz FRHZYBBTMYNYPN-AWEZNQCLSA-N 2 2 233.359 2.622 10 0 BFAELP CC(C)=CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178293159 385350021 /nfs/dbraw/zinc/35/00/21/385350021.db2.gz FRHZYBBTMYNYPN-CQSZACIVSA-N 2 2 233.359 2.622 10 0 BFAELP CC(C)=CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178293159 385350025 /nfs/dbraw/zinc/35/00/25/385350025.db2.gz FRHZYBBTMYNYPN-CQSZACIVSA-N 2 2 233.359 2.622 10 0 BFAELP Cc1ccc(CCC[NH2+][C@@H](C)C(C)C)c[nH+]1 ZINC000309368046 385555902 /nfs/dbraw/zinc/55/59/02/385555902.db2.gz PWRHVTNCPBWQOM-ZDUSSCGKSA-N 2 2 220.360 2.957 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309388011 385560222 /nfs/dbraw/zinc/56/02/22/385560222.db2.gz SLTNVMKRNRCUKR-XJFOESAGSA-N 2 2 226.408 2.597 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396521955 386772157 /nfs/dbraw/zinc/77/21/57/386772157.db2.gz CTWYJXWUGQQSDW-GZBFAFLISA-N 2 2 232.371 2.786 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccs1 ZINC000396557732 386774944 /nfs/dbraw/zinc/77/49/44/386774944.db2.gz GVWJRVUOORRMHD-GARJFASQSA-N 2 2 224.373 2.539 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000396582281 386779254 /nfs/dbraw/zinc/77/92/54/386779254.db2.gz PSJSJXLXILVBGG-NHCYSSNCSA-N 2 2 224.373 2.539 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1F ZINC000396578367 386782449 /nfs/dbraw/zinc/78/24/49/386782449.db2.gz ODYAKHZCVMQQQK-COPLHBTASA-N 2 2 236.334 2.617 10 0 BFAELP C[C@H](CCCC[NH3+])Nc1ccc2ccccc2[nH+]1 ZINC000336789779 387561037 /nfs/dbraw/zinc/56/10/37/387561037.db2.gz KANZVWRODZWSEY-GFCCVEGCSA-N 2 2 243.354 2.586 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CC(C(C)C)C1 ZINC000232638326 388854959 /nfs/dbraw/zinc/85/49/59/388854959.db2.gz TYBQLXHJXFDUMH-YMAMQOFZSA-N 2 2 240.435 2.987 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C1 ZINC000070761863 135011666 /nfs/dbraw/zinc/01/16/66/135011666.db2.gz RORHHYHIVWAPFO-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000070761863 135011667 /nfs/dbraw/zinc/01/16/67/135011667.db2.gz RORHHYHIVWAPFO-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)C1 ZINC000251767329 135076197 /nfs/dbraw/zinc/07/61/97/135076197.db2.gz VSSWKVGYIYQVFP-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC)C1 ZINC000251767329 135076199 /nfs/dbraw/zinc/07/61/99/135076199.db2.gz VSSWKVGYIYQVFP-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)C[C@@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261544578 135186266 /nfs/dbraw/zinc/18/62/66/135186266.db2.gz JBLIQMSGJCMXIP-LBPRGKRZSA-N 2 2 212.381 2.624 10 0 BFAELP CC(C)C[C@@H]1CCCC[N@H+]1CC(C)(C)[NH3+] ZINC000261544578 135186267 /nfs/dbraw/zinc/18/62/67/135186267.db2.gz JBLIQMSGJCMXIP-LBPRGKRZSA-N 2 2 212.381 2.624 10 0 BFAELP CC(C)[N@H+](C)CC[NH2+]CC1CCC(C)CC1 ZINC000084339430 135210795 /nfs/dbraw/zinc/21/07/95/135210795.db2.gz YYXPSXQMDZJXLK-UHFFFAOYSA-N 2 2 226.408 2.743 10 0 BFAELP CC(C)[N@@H+](C)CC[NH2+]CC1CCC(C)CC1 ZINC000084339430 135210797 /nfs/dbraw/zinc/21/07/97/135210797.db2.gz YYXPSXQMDZJXLK-UHFFFAOYSA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000252428802 322872247 /nfs/dbraw/zinc/87/22/47/322872247.db2.gz BGPMDSFISUKNAC-MELADBBJSA-N 2 2 228.424 2.987 10 0 BFAELP C[C@H]([NH3+])C[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000228268464 487601396 /nfs/dbraw/zinc/60/13/96/487601396.db2.gz FSFBARGFVDUZCB-QWRGUYRKSA-N 2 2 229.327 2.773 10 0 BFAELP CC(C)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671106 167011855 /nfs/dbraw/zinc/01/18/55/167011855.db2.gz UZNSEDFRWKMKGK-MRXNPFEDSA-N 2 2 246.398 2.549 10 0 BFAELP CC(C)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671106 167011858 /nfs/dbraw/zinc/01/18/58/167011858.db2.gz UZNSEDFRWKMKGK-MRXNPFEDSA-N 2 2 246.398 2.549 10 0 BFAELP CC[NH+](CC)C[C@H](C)n1c[nH+]c2cc(N)ccc21 ZINC000052854636 169788608 /nfs/dbraw/zinc/78/86/08/169788608.db2.gz NBKAGALNLFROIU-NSHDSACASA-N 2 2 246.358 2.521 10 0 BFAELP CC1(C)CC[NH+](C2(C[NH3+])CCCCC2)CC1 ZINC000061819056 167920128 /nfs/dbraw/zinc/92/01/28/167920128.db2.gz AMCJICSZVWCHCJ-UHFFFAOYSA-N 2 2 224.392 2.770 10 0 BFAELP CC1CCC(C[NH3+])([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000019807693 168153058 /nfs/dbraw/zinc/15/30/58/168153058.db2.gz RVRNKXQINMJDJW-ROKHWSDSSA-N 2 2 224.392 2.626 10 0 BFAELP CC1CCC(C[NH3+])([N@H+]2CCC[C@@H](C)C2)CC1 ZINC000019807693 168153061 /nfs/dbraw/zinc/15/30/61/168153061.db2.gz RVRNKXQINMJDJW-ROKHWSDSSA-N 2 2 224.392 2.626 10 0 BFAELP CC1CCC(C[NH3+])([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000019807792 168153504 /nfs/dbraw/zinc/15/35/04/168153504.db2.gz IDSSCOQCKWITCG-PIOWNMBXSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[NH+]1CCC(C)CC1 ZINC000043114944 168187506 /nfs/dbraw/zinc/18/75/06/168187506.db2.gz GAQDNUPNFHTWPS-AAEUAGOBSA-N 2 2 238.400 2.868 10 0 BFAELP CCC1CCC([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000657315791 411461146 /nfs/dbraw/zinc/46/11/46/411461146.db2.gz BYPVNEFYPJUCSG-UHFFFAOYSA-N 2 2 235.375 2.787 10 0 BFAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccs1 ZINC000657291013 411451619 /nfs/dbraw/zinc/45/16/19/411451619.db2.gz OBIBRGGZYAFVEK-JTQLQIEISA-N 2 2 247.367 2.742 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000336900449 170014384 /nfs/dbraw/zinc/01/43/84/170014384.db2.gz RRXAFEOMECGBJI-ZIAGYGMSSA-N 2 2 232.371 2.740 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000336900449 170014385 /nfs/dbraw/zinc/01/43/85/170014385.db2.gz RRXAFEOMECGBJI-ZIAGYGMSSA-N 2 2 232.371 2.740 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000336891036 170014504 /nfs/dbraw/zinc/01/45/04/170014504.db2.gz IHKFYNCZIDTPAF-DGCLKSJQSA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000336891036 170014505 /nfs/dbraw/zinc/01/45/05/170014505.db2.gz IHKFYNCZIDTPAF-DGCLKSJQSA-N 2 2 236.359 2.641 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000328517265 170022031 /nfs/dbraw/zinc/02/20/31/170022031.db2.gz QBLUJCCMRZEEQM-RISCZKNCSA-N 2 2 236.334 2.571 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000328517265 170022033 /nfs/dbraw/zinc/02/20/33/170022033.db2.gz QBLUJCCMRZEEQM-RISCZKNCSA-N 2 2 236.334 2.571 10 0 BFAELP CC[NH2+]CCCCn1c(C)[nH+]c2ccccc21 ZINC000053524248 170112412 /nfs/dbraw/zinc/11/24/12/170112412.db2.gz NLGDCNSOFDCBMD-UHFFFAOYSA-N 2 2 231.343 2.734 10 0 BFAELP CC[NH2+]CCCc1ccc2[nH]c(CC)[nH+]c2c1 ZINC000107288826 170113613 /nfs/dbraw/zinc/11/36/13/170113613.db2.gz SUTPDWGOQKHBDD-UHFFFAOYSA-N 2 2 231.343 2.667 10 0 BFAELP CC[NH2+]CCCc1ccc2[nH+]c(CC)[nH]c2c1 ZINC000107288826 170113614 /nfs/dbraw/zinc/11/36/14/170113614.db2.gz SUTPDWGOQKHBDD-UHFFFAOYSA-N 2 2 231.343 2.667 10 0 BFAELP CC[NH2+]C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575704 170118719 /nfs/dbraw/zinc/11/87/19/170118719.db2.gz WGWQVNIBPVGVJY-GFCCVEGCSA-N 2 2 231.343 2.824 10 0 BFAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000053648451 170119662 /nfs/dbraw/zinc/11/96/62/170119662.db2.gz NNFRRDKOWZLXRS-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000053648451 170119664 /nfs/dbraw/zinc/11/96/64/170119664.db2.gz NNFRRDKOWZLXRS-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(CC)cc1 ZINC000053648573 170122725 /nfs/dbraw/zinc/12/27/25/170122725.db2.gz ZQJROCTXTWICHV-MRXNPFEDSA-N 2 2 246.398 2.823 10 0 BFAELP CC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(CC)cc1 ZINC000053648573 170122727 /nfs/dbraw/zinc/12/27/27/170122727.db2.gz ZQJROCTXTWICHV-MRXNPFEDSA-N 2 2 246.398 2.823 10 0 BFAELP CC[NH2+][C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464600 170145371 /nfs/dbraw/zinc/14/53/71/170145371.db2.gz BJOHUSLURYIPEQ-NSHDSACASA-N 2 2 220.341 2.511 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000035570429 170146683 /nfs/dbraw/zinc/14/66/83/170146683.db2.gz LYGWPKAEKULQKN-LBPRGKRZSA-N 2 2 249.745 2.956 10 0 BFAELP CC[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806748 170166248 /nfs/dbraw/zinc/16/62/48/170166248.db2.gz GYCZXLOGOVYURE-UONOGXRCSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183947 170168022 /nfs/dbraw/zinc/16/80/22/170168022.db2.gz DXVYQKLUNYVUFL-RYUDHWBXSA-N 2 2 238.400 2.801 10 0 BFAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183947 170168023 /nfs/dbraw/zinc/16/80/23/170168023.db2.gz DXVYQKLUNYVUFL-RYUDHWBXSA-N 2 2 238.400 2.801 10 0 BFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[NH+]1CCCC1 ZINC000042970589 170868165 /nfs/dbraw/zinc/86/81/65/170868165.db2.gz TXPDWCQELAWPRU-ZIAGYGMSSA-N 2 2 236.334 2.700 10 0 BFAELP CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000049661634 171014103 /nfs/dbraw/zinc/01/41/03/171014103.db2.gz MGIPIMYIWVGQNV-BYNSBNAKSA-N 2 2 238.419 2.885 10 0 BFAELP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000049661634 171014104 /nfs/dbraw/zinc/01/41/04/171014104.db2.gz MGIPIMYIWVGQNV-BYNSBNAKSA-N 2 2 238.419 2.885 10 0 BFAELP CC[C@@](C)(C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042744170 171166116 /nfs/dbraw/zinc/16/61/16/171166116.db2.gz TYAFMJSQSYTQPQ-GWCFXTLKSA-N 2 2 238.400 2.795 10 0 BFAELP CC[C@@](C)(C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000042744170 171166119 /nfs/dbraw/zinc/16/61/19/171166119.db2.gz TYAFMJSQSYTQPQ-GWCFXTLKSA-N 2 2 238.400 2.795 10 0 BFAELP CC[C@H](C)C[N@H+](C)c1ccc(CC[NH3+])c(C)c1 ZINC000104256181 171276126 /nfs/dbraw/zinc/27/61/26/171276126.db2.gz DFSKVSNRIMYBJE-LBPRGKRZSA-N 2 2 234.387 2.979 10 0 BFAELP CC[C@H](C)C[N@@H+](C)c1ccc(CC[NH3+])c(C)c1 ZINC000104256181 171276127 /nfs/dbraw/zinc/27/61/27/171276127.db2.gz DFSKVSNRIMYBJE-LBPRGKRZSA-N 2 2 234.387 2.979 10 0 BFAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037109701 171309821 /nfs/dbraw/zinc/30/98/21/171309821.db2.gz WTKNSNMYBPDFBZ-ZANVPECISA-N 2 2 242.313 2.695 10 0 BFAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037109701 171309823 /nfs/dbraw/zinc/30/98/23/171309823.db2.gz WTKNSNMYBPDFBZ-ZANVPECISA-N 2 2 242.313 2.695 10 0 BFAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C(C)C ZINC000049474702 172013304 /nfs/dbraw/zinc/01/33/04/172013304.db2.gz OGTBBUOBPOAPBF-UHFFFAOYSA-N 2 2 231.343 2.597 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)CC(C)(C)C ZINC000052570213 173366797 /nfs/dbraw/zinc/36/67/97/173366797.db2.gz BDLZDCOAKUPGRY-AWEZNQCLSA-N 2 2 234.387 2.925 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)CC(C)(C)C ZINC000052570213 173366798 /nfs/dbraw/zinc/36/67/98/173366798.db2.gz BDLZDCOAKUPGRY-AWEZNQCLSA-N 2 2 234.387 2.925 10 0 BFAELP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611799 176121083 /nfs/dbraw/zinc/12/10/83/176121083.db2.gz FJQHSNXHZIQBRL-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CCC[C@@H]([N@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611799 176121085 /nfs/dbraw/zinc/12/10/85/176121085.db2.gz FJQHSNXHZIQBRL-CHWSQXEVSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1CC[N@H+](CC2([NH3+])CCCCC2)[C@H](C)C1 ZINC000051746845 176169098 /nfs/dbraw/zinc/16/90/98/176169098.db2.gz YGDHYRBMRRZAOR-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CC[N@@H+](CC2([NH3+])CCCCC2)[C@H](C)C1 ZINC000051746845 176169099 /nfs/dbraw/zinc/16/90/99/176169099.db2.gz YGDHYRBMRRZAOR-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H](c1cc2ccccc2o1)[N@H+]1CCC[NH2+]CC1 ZINC000038086804 177031571 /nfs/dbraw/zinc/03/15/71/177031571.db2.gz DPGDJTKMNSUMEC-GFCCVEGCSA-N 2 2 244.338 2.789 10 0 BFAELP C[C@H](c1cc2ccccc2o1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086804 177031569 /nfs/dbraw/zinc/03/15/69/177031569.db2.gz DPGDJTKMNSUMEC-GFCCVEGCSA-N 2 2 244.338 2.789 10 0 BFAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)CC2CC2)C1 ZINC000037925345 177063630 /nfs/dbraw/zinc/06/36/30/177063630.db2.gz LVRPBWIBNHNQJW-SWLSCSKDSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)CC2CC2)C1 ZINC000037925345 177063631 /nfs/dbraw/zinc/06/36/31/177063631.db2.gz LVRPBWIBNHNQJW-SWLSCSKDSA-N 2 2 238.419 2.872 10 0 BFAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000022177202 177078631 /nfs/dbraw/zinc/07/86/31/177078631.db2.gz OPFUDJXRLOWMOT-FZMZJTMJSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000022177202 177078634 /nfs/dbraw/zinc/07/86/34/177078634.db2.gz OPFUDJXRLOWMOT-FZMZJTMJSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCC[C@H](C)C2)C1 ZINC000019807692 177104410 /nfs/dbraw/zinc/10/44/10/177104410.db2.gz COFLQEJXXODDEJ-RDBSUJKOSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCC[C@H](C)C2)C1 ZINC000019807692 177104411 /nfs/dbraw/zinc/10/44/11/177104411.db2.gz COFLQEJXXODDEJ-RDBSUJKOSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)CCC[C@@H]1C ZINC000054239983 177122889 /nfs/dbraw/zinc/12/28/89/177122889.db2.gz QVYWLXLJSKLXFO-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@H]1[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)CCC[C@@H]1C ZINC000054239983 177122892 /nfs/dbraw/zinc/12/28/92/177122892.db2.gz QVYWLXLJSKLXFO-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCCC[C@@H]2C)C1 ZINC000019807651 177143539 /nfs/dbraw/zinc/14/35/39/177143539.db2.gz TWUUGBRECHNBKK-IHRRRGAJSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@](C[NH3+])([N@H+]2CCCC[C@@H]2C)C1 ZINC000019807651 177143540 /nfs/dbraw/zinc/14/35/40/177143540.db2.gz TWUUGBRECHNBKK-IHRRRGAJSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000051746735 177161153 /nfs/dbraw/zinc/16/11/53/177161153.db2.gz BDDDZKLTWUKEGW-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[C@@H](C)CC[N@H+]1CC[NH2+]C1CCCC1 ZINC000051746735 177161154 /nfs/dbraw/zinc/16/11/54/177161154.db2.gz BDDDZKLTWUKEGW-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2cccs2)C1 ZINC000019795943 177314132 /nfs/dbraw/zinc/31/41/32/177314132.db2.gz XTFZCWAPCWICTP-GRYCIOLGSA-N 2 2 238.400 2.726 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2cccs2)C1 ZINC000019795943 177314133 /nfs/dbraw/zinc/31/41/33/177314133.db2.gz XTFZCWAPCWICTP-GRYCIOLGSA-N 2 2 238.400 2.726 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2cccs2)C1 ZINC000019795940 177315115 /nfs/dbraw/zinc/31/51/15/177315115.db2.gz XTFZCWAPCWICTP-TUAOUCFPSA-N 2 2 238.400 2.726 10 0 BFAELP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000488423068 225394524 /nfs/dbraw/zinc/39/45/24/225394524.db2.gz ZWXLSJLMNPVCOL-VHDGCEQUSA-N 2 2 232.371 2.535 10 0 BFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1 ZINC000396541557 262805197 /nfs/dbraw/zinc/80/51/97/262805197.db2.gz ARMZEFMJSRMXAO-MISXGVKJSA-N 2 2 236.334 2.617 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000675725799 487770640 /nfs/dbraw/zinc/77/06/40/487770640.db2.gz ITZIEVBXNHTVHJ-HEHGZKQESA-N 2 2 246.398 2.850 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000675725799 487770648 /nfs/dbraw/zinc/77/06/48/487770648.db2.gz ITZIEVBXNHTVHJ-HEHGZKQESA-N 2 2 246.398 2.850 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000675761738 487775600 /nfs/dbraw/zinc/77/56/00/487775600.db2.gz IYGMHRSETQJIJI-IJEWVQPXSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000675761738 487775604 /nfs/dbraw/zinc/77/56/04/487775604.db2.gz IYGMHRSETQJIJI-IJEWVQPXSA-N 2 2 246.398 2.904 10 0 BFAELP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)CC(C)(C)C1 ZINC000397866389 323099369 /nfs/dbraw/zinc/09/93/69/323099369.db2.gz HNKAWCPUADNCLA-CHWSQXEVSA-N 2 2 238.419 2.885 10 0 BFAELP CCCC(CCC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309408153 491148819 /nfs/dbraw/zinc/14/88/19/491148819.db2.gz BIBOFJRJGYUWFF-OCCSQVGLSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC(CCC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309408153 491148820 /nfs/dbraw/zinc/14/88/20/491148820.db2.gz BIBOFJRJGYUWFF-OCCSQVGLSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000250231063 535541730 /nfs/dbraw/zinc/54/17/30/535541730.db2.gz GEIQQJDWKJMLKN-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000250231063 535541733 /nfs/dbraw/zinc/54/17/33/535541733.db2.gz GEIQQJDWKJMLKN-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP C(C[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1)C1CCC1 ZINC000757126583 582501123 /nfs/dbraw/zinc/50/11/23/582501123.db2.gz GESZKYGTVBSJIS-MRXNPFEDSA-N 2 2 248.414 2.737 10 0 BFAELP C(C[N@H+]1CCC[C@]12C[NH+]1CCC2CC1)C1CCC1 ZINC000757126583 582501125 /nfs/dbraw/zinc/50/11/25/582501125.db2.gz GESZKYGTVBSJIS-MRXNPFEDSA-N 2 2 248.414 2.737 10 0 BFAELP CC(C)[C@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757130888 582504719 /nfs/dbraw/zinc/50/47/19/582504719.db2.gz OLRCPBYNTHWDAS-DZGCQCFKSA-N 2 2 236.403 2.591 10 0 BFAELP CC(C)[C@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757130888 582504720 /nfs/dbraw/zinc/50/47/20/582504720.db2.gz OLRCPBYNTHWDAS-DZGCQCFKSA-N 2 2 236.403 2.591 10 0 BFAELP CCCC[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000020129409 590077199 /nfs/dbraw/zinc/07/71/99/590077199.db2.gz AIHQVZQKYODIDV-CQSZACIVSA-N 2 2 220.360 2.679 10 0 BFAELP Cc1cc([N@@H+](C)CC(C)C)ccc1C[C@@H](C)[NH3+] ZINC000104280309 178097351 /nfs/dbraw/zinc/09/73/51/178097351.db2.gz KXQMUFSMIRMSEI-CYBMUJFWSA-N 2 2 234.387 2.977 10 0 BFAELP Cc1cc([N@H+](C)CC(C)C)ccc1C[C@@H](C)[NH3+] ZINC000104280309 178097353 /nfs/dbraw/zinc/09/73/53/178097353.db2.gz KXQMUFSMIRMSEI-CYBMUJFWSA-N 2 2 234.387 2.977 10 0 BFAELP Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])nc(C(C)C)[nH+]1 ZINC000038050789 178189139 /nfs/dbraw/zinc/18/91/39/178189139.db2.gz DUGWPULWNXNZEZ-NEPJUHHUSA-N 2 2 248.374 2.590 10 0 BFAELP Cc1cc2[nH+]cn([C@H]3CCC[C@@H]3[NH3+])c2cc1C ZINC000019280569 178305749 /nfs/dbraw/zinc/30/57/49/178305749.db2.gz JCECWGIILDFEPZ-AAEUAGOBSA-N 2 2 229.327 2.705 10 0 BFAELP Cc1cc2[nH+]cn(CCCCC[NH3+])c2cc1C ZINC000049581964 178305777 /nfs/dbraw/zinc/30/57/77/178305777.db2.gz CRZGGLZWIVUMBI-UHFFFAOYSA-N 2 2 231.343 2.782 10 0 BFAELP Cc1cc2[nH+]cn([C@@H](C)[C@H](C)[NH3+])c2cc1C ZINC000041053920 178305904 /nfs/dbraw/zinc/30/59/04/178305904.db2.gz PNAGEWPHEMWKBZ-QWRGUYRKSA-N 2 2 217.316 2.561 10 0 BFAELP Cc1cc2[nH+]cn([C@@H](C)CC[NH3+])c2cc1C ZINC000041042675 178306095 /nfs/dbraw/zinc/30/60/95/178306095.db2.gz FUFVCDDPTQKSAT-NSHDSACASA-N 2 2 217.316 2.563 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000379433449 538977101 /nfs/dbraw/zinc/97/71/01/538977101.db2.gz GCTJFNYFHMPFBZ-IHRRRGAJSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000379433449 538977103 /nfs/dbraw/zinc/97/71/03/538977103.db2.gz GCTJFNYFHMPFBZ-IHRRRGAJSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000390463805 539022349 /nfs/dbraw/zinc/02/23/49/539022349.db2.gz GYOTZKXXZHEZRK-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000390463805 539022350 /nfs/dbraw/zinc/02/23/50/539022350.db2.gz GYOTZKXXZHEZRK-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671098 343407775 /nfs/dbraw/zinc/40/77/75/343407775.db2.gz JOUKIXDPKZNZKU-GDBMZVCRSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671098 343407778 /nfs/dbraw/zinc/40/77/78/343407778.db2.gz JOUKIXDPKZNZKU-GDBMZVCRSA-N 2 2 246.398 2.692 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000336886910 136376431 /nfs/dbraw/zinc/37/64/31/136376431.db2.gz CKLCNSZWEJTBJG-HOCLYGCPSA-N 2 2 244.382 2.748 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000336886910 136376432 /nfs/dbraw/zinc/37/64/32/136376432.db2.gz CKLCNSZWEJTBJG-HOCLYGCPSA-N 2 2 244.382 2.748 10 0 BFAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816615 344236549 /nfs/dbraw/zinc/23/65/49/344236549.db2.gz VCVBIOUCDPGCGJ-UONOGXRCSA-N 2 2 234.387 2.895 10 0 BFAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816615 344236552 /nfs/dbraw/zinc/23/65/52/344236552.db2.gz VCVBIOUCDPGCGJ-UONOGXRCSA-N 2 2 234.387 2.895 10 0 BFAELP C[C@@H]1[C@@H]([NH2+]C2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000211624078 345737529 /nfs/dbraw/zinc/73/75/29/345737529.db2.gz WGPDGADSQLFXDI-CJNGLKHVSA-N 2 2 244.382 2.792 10 0 BFAELP C[C@@H]1[C@@H]([NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000211624078 345737531 /nfs/dbraw/zinc/73/75/31/345737531.db2.gz WGPDGADSQLFXDI-CJNGLKHVSA-N 2 2 244.382 2.792 10 0 BFAELP Cc1cccc(C[NH2+][C@H](C)C[NH+]2CCCC2)c1C ZINC000042278767 179099645 /nfs/dbraw/zinc/09/96/45/179099645.db2.gz IHLNXXXZNCHKLM-CQSZACIVSA-N 2 2 246.398 2.877 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020225517 179184845 /nfs/dbraw/zinc/18/48/45/179184845.db2.gz DPNVSWSRZNDZFE-CQSZACIVSA-N 2 2 220.360 2.583 10 0 BFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020225517 179184847 /nfs/dbraw/zinc/18/48/47/179184847.db2.gz DPNVSWSRZNDZFE-CQSZACIVSA-N 2 2 220.360 2.583 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020225516 179198265 /nfs/dbraw/zinc/19/82/65/179198265.db2.gz DPNVSWSRZNDZFE-AWEZNQCLSA-N 2 2 220.360 2.583 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020225516 179198267 /nfs/dbraw/zinc/19/82/67/179198267.db2.gz DPNVSWSRZNDZFE-AWEZNQCLSA-N 2 2 220.360 2.583 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000022175430 179198814 /nfs/dbraw/zinc/19/88/14/179198814.db2.gz UMTOJICFWWTPOB-ZFWWWQNUSA-N 2 2 232.371 2.869 10 0 BFAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000022175430 179198817 /nfs/dbraw/zinc/19/88/17/179198817.db2.gz UMTOJICFWWTPOB-ZFWWWQNUSA-N 2 2 232.371 2.869 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300984488 347324407 /nfs/dbraw/zinc/32/44/07/347324407.db2.gz USVVZQZYTHUORN-KBPBESRZSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000300984488 347324408 /nfs/dbraw/zinc/32/44/08/347324408.db2.gz USVVZQZYTHUORN-KBPBESRZSA-N 2 2 226.408 2.743 10 0 BFAELP CCC[NH+](CCC)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000669381876 537996991 /nfs/dbraw/zinc/99/69/91/537996991.db2.gz YSYDRHLBXRQJJF-IHRRRGAJSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1cccn2c([C@H]([NH3+])C(C)(C)C)c[nH+]c12 ZINC000031911699 179355575 /nfs/dbraw/zinc/35/55/75/179355575.db2.gz UCXATRPFMAGGCG-NSHDSACASA-N 2 2 217.316 2.689 10 0 BFAELP Cc1ccc(C[C@@H]2CCC[C@H]3C[NH2+]C[C@@H]32)[nH+]c1 ZINC000616576683 349102815 /nfs/dbraw/zinc/10/28/15/349102815.db2.gz ATIARAKHHQOIMS-KCQAQPDRSA-N 2 2 230.355 2.568 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000178304208 180265424 /nfs/dbraw/zinc/26/54/24/180265424.db2.gz DJRUQGSDGQLERH-GJZGRUSLSA-N 2 2 245.370 2.765 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1C=CCCC1 ZINC000178304208 180265426 /nfs/dbraw/zinc/26/54/26/180265426.db2.gz DJRUQGSDGQLERH-GJZGRUSLSA-N 2 2 245.370 2.765 10 0 BFAELP Cc1[nH+]cn(-c2ccc(C[C@@H](C)[NH3+])cc2F)c1C ZINC000104260340 180285171 /nfs/dbraw/zinc/28/51/71/180285171.db2.gz UTPIUWUAYPDVKH-SECBINFHSA-N 2 2 247.317 2.518 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616600488 350780417 /nfs/dbraw/zinc/78/04/17/350780417.db2.gz KILKLOKQTDQBDR-LBPRGKRZSA-N 2 2 247.386 2.862 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616600488 350780422 /nfs/dbraw/zinc/78/04/22/350780422.db2.gz KILKLOKQTDQBDR-LBPRGKRZSA-N 2 2 247.386 2.862 10 0 BFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000616605675 350795021 /nfs/dbraw/zinc/79/50/21/350795021.db2.gz OFVJHFQISDZKPU-CQSZACIVSA-N 2 2 236.334 2.702 10 0 BFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000616605675 350795022 /nfs/dbraw/zinc/79/50/22/350795022.db2.gz OFVJHFQISDZKPU-CQSZACIVSA-N 2 2 236.334 2.702 10 0 BFAELP c1[nH]cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616618584 350922706 /nfs/dbraw/zinc/92/27/06/350922706.db2.gz AORREEDOKTXBBH-AWEZNQCLSA-N 2 2 241.338 2.789 10 0 BFAELP c1[nH]cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616618584 350922709 /nfs/dbraw/zinc/92/27/09/350922709.db2.gz AORREEDOKTXBBH-AWEZNQCLSA-N 2 2 241.338 2.789 10 0 BFAELP CCC[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417390 350992225 /nfs/dbraw/zinc/99/22/25/350992225.db2.gz LEKGKTBILGJMFY-ZDUSSCGKSA-N 2 2 220.360 2.507 10 0 BFAELP CCC[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417390 350992228 /nfs/dbraw/zinc/99/22/28/350992228.db2.gz LEKGKTBILGJMFY-ZDUSSCGKSA-N 2 2 220.360 2.507 10 0 BFAELP COc1ccccc1[C@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616624768 351093135 /nfs/dbraw/zinc/09/31/35/351093135.db2.gz RHXWKGTVMRJJHO-CQSZACIVSA-N 2 2 248.370 2.571 10 0 BFAELP COc1ccccc1[C@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616624768 351093138 /nfs/dbraw/zinc/09/31/38/351093138.db2.gz RHXWKGTVMRJJHO-CQSZACIVSA-N 2 2 248.370 2.571 10 0 BFAELP CC(C)=CC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000236732348 187503539 /nfs/dbraw/zinc/50/35/39/187503539.db2.gz CLLHBLGUNNYZRP-UHFFFAOYSA-N 2 2 243.354 2.901 10 0 BFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000049195290 188124729 /nfs/dbraw/zinc/12/47/29/188124729.db2.gz LNSOSKHXLZTMPF-MCIONIFRSA-N 2 2 240.435 2.987 10 0 BFAELP Cc1ccc(C[N@@H+](C)CCC[NH2+]CC(C)C)o1 ZINC000052455691 188126509 /nfs/dbraw/zinc/12/65/09/188126509.db2.gz AVVVJWWPFWNKME-UHFFFAOYSA-N 2 2 238.375 2.656 10 0 BFAELP Cc1ccc(C[N@H+](C)CCC[NH2+]CC(C)C)o1 ZINC000052455691 188126510 /nfs/dbraw/zinc/12/65/10/188126510.db2.gz AVVVJWWPFWNKME-UHFFFAOYSA-N 2 2 238.375 2.656 10 0 BFAELP Cc1[nH+]ccn1-c1ccc2c(c1)CCC[NH2+]2 ZINC000082656091 188139918 /nfs/dbraw/zinc/13/99/18/188139918.db2.gz MCZWORACQLGUJI-UHFFFAOYSA-N 2 2 213.284 2.539 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000040502152 358492935 /nfs/dbraw/zinc/49/29/35/358492935.db2.gz YIHBXWWYVCPVAO-DZGCQCFKSA-N 2 2 232.371 2.822 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000040502152 358492938 /nfs/dbraw/zinc/49/29/38/358492938.db2.gz YIHBXWWYVCPVAO-DZGCQCFKSA-N 2 2 232.371 2.822 10 0 BFAELP [NH2+]=C(Nc1cccc(C[NH3+])c1)c1cccs1 ZINC000013487049 181200580 /nfs/dbraw/zinc/20/05/80/181200580.db2.gz FODVLWUSSFCSRG-UHFFFAOYSA-N 2 2 231.324 2.644 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000389197316 355838418 /nfs/dbraw/zinc/83/84/18/355838418.db2.gz XPRFQFPXTMOLRJ-MRXNPFEDSA-N 2 2 246.398 2.796 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000389197316 355838423 /nfs/dbraw/zinc/83/84/23/355838423.db2.gz XPRFQFPXTMOLRJ-MRXNPFEDSA-N 2 2 246.398 2.796 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189078804 357603648 /nfs/dbraw/zinc/60/36/48/357603648.db2.gz QKAGHIWPHKCRPQ-UONOGXRCSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189078804 357603650 /nfs/dbraw/zinc/60/36/50/357603650.db2.gz QKAGHIWPHKCRPQ-UONOGXRCSA-N 2 2 236.403 2.783 10 0 BFAELP CCCC(CCC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309408151 491148768 /nfs/dbraw/zinc/14/87/68/491148768.db2.gz BIBOFJRJGYUWFF-GXTWGEPZSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC(CCC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309408151 491148769 /nfs/dbraw/zinc/14/87/69/491148769.db2.gz BIBOFJRJGYUWFF-GXTWGEPZSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC(CCC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309408152 491148802 /nfs/dbraw/zinc/14/88/02/491148802.db2.gz BIBOFJRJGYUWFF-JSGCOSHPSA-N 2 2 226.408 2.885 10 0 BFAELP CCCC(CCC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309408152 491148803 /nfs/dbraw/zinc/14/88/03/491148803.db2.gz BIBOFJRJGYUWFF-JSGCOSHPSA-N 2 2 226.408 2.885 10 0 BFAELP [NH3+]CC1([NH+]2CCCCCC2)CCCCCC1 ZINC000022143953 181359958 /nfs/dbraw/zinc/35/99/58/181359958.db2.gz DQVRCIAZEKGRMD-UHFFFAOYSA-N 2 2 224.392 2.914 10 0 BFAELP [NH3+]CCCCCCSc1cccc2[nH+]ccn21 ZINC000089201238 181375362 /nfs/dbraw/zinc/37/53/62/181375362.db2.gz ZNWIVEDDNOMSFO-UHFFFAOYSA-N 2 2 249.383 2.946 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC[C@@H](C)C[NH3+] ZINC000086634502 368882692 /nfs/dbraw/zinc/88/26/92/368882692.db2.gz OLWJEMGHQRVQQW-JTQLQIEISA-N 2 2 229.327 2.550 10 0 BFAELP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000310031985 370286599 /nfs/dbraw/zinc/28/65/99/370286599.db2.gz RIOMBAJHJZKYJQ-STQMWFEESA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000310031985 370286602 /nfs/dbraw/zinc/28/66/02/370286602.db2.gz RIOMBAJHJZKYJQ-STQMWFEESA-N 2 2 226.408 2.743 10 0 BFAELP CCC[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000037097132 169091091 /nfs/dbraw/zinc/09/10/91/169091091.db2.gz MRFQYVFKMJFBJB-STQMWFEESA-N 2 2 210.365 2.521 10 0 BFAELP CCC[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000037097132 169091093 /nfs/dbraw/zinc/09/10/93/169091093.db2.gz MRFQYVFKMJFBJB-STQMWFEESA-N 2 2 210.365 2.521 10 0 BFAELP c1cc(OCC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000013730186 183359368 /nfs/dbraw/zinc/35/93/68/183359368.db2.gz LJNOPIFTNMRKTL-UHFFFAOYSA-N 2 2 246.354 2.582 10 0 BFAELP CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccco2)CC1 ZINC000035739387 169255975 /nfs/dbraw/zinc/25/59/75/169255975.db2.gz CNLQTUWKGVVUNE-LBPRGKRZSA-N 2 2 236.359 2.805 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000035586562 169290068 /nfs/dbraw/zinc/29/00/68/169290068.db2.gz UHVFVGUQVRZVOQ-CYBMUJFWSA-N 2 2 235.375 2.901 10 0 BFAELP CCC[NH2+]Cc1ccccc1-n1c[nH+]c(C)c1C ZINC000051927420 169268155 /nfs/dbraw/zinc/26/81/55/169268155.db2.gz DZWHFNHCBBCFME-UHFFFAOYSA-N 2 2 243.354 2.989 10 0 BFAELP CCCOc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000039789137 169320566 /nfs/dbraw/zinc/32/05/66/169320566.db2.gz MAORYKFGZDGHOH-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP c1ccc2c(c1)[nH+]ccc2OC[C@H]1CCC[NH2+]C1 ZINC000051883234 183439469 /nfs/dbraw/zinc/43/94/69/183439469.db2.gz QHHKFNQZCOENKF-LBPRGKRZSA-N 2 2 242.322 2.613 10 0 BFAELP CCC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000036790222 169366246 /nfs/dbraw/zinc/36/62/46/169366246.db2.gz WOXRIDOXBYUVSV-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000036790222 169366247 /nfs/dbraw/zinc/36/62/47/169366247.db2.gz WOXRIDOXBYUVSV-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[C@@H]([NH3+])[C@H](CC)[NH+]1Cc2ccccc2C1 ZINC000050910932 169392862 /nfs/dbraw/zinc/39/28/62/169392862.db2.gz LRIJMCVMTGSKFG-CABCVRRESA-N 2 2 232.371 2.908 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)C ZINC000180133056 134323574 /nfs/dbraw/zinc/32/35/74/134323574.db2.gz LBIQKTXTVHNFIL-ZDUSSCGKSA-N 2 2 235.375 2.702 10 0 BFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(C)(C)C ZINC000180133056 134323575 /nfs/dbraw/zinc/32/35/75/134323575.db2.gz LBIQKTXTVHNFIL-ZDUSSCGKSA-N 2 2 235.375 2.702 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)CC)C1 ZINC000181125752 384450589 /nfs/dbraw/zinc/45/05/89/384450589.db2.gz MFSCGPIWPMWLNA-STQMWFEESA-N 2 2 235.375 2.881 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)CC)C1 ZINC000181125752 384450594 /nfs/dbraw/zinc/45/05/94/384450594.db2.gz MFSCGPIWPMWLNA-STQMWFEESA-N 2 2 235.375 2.881 10 0 BFAELP C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000052272649 384728088 /nfs/dbraw/zinc/72/80/88/384728088.db2.gz RHMJCPVKYYNEGA-SLEUVZQESA-N 2 2 241.338 2.931 10 0 BFAELP C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000052272647 384728908 /nfs/dbraw/zinc/72/89/08/384728908.db2.gz RHMJCPVKYYNEGA-TYNCELHUSA-N 2 2 241.338 2.931 10 0 BFAELP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)(C)C ZINC000310016734 384797369 /nfs/dbraw/zinc/79/73/69/384797369.db2.gz LEOSALFFZLVPEQ-WCQYABFASA-N 2 2 226.408 2.883 10 0 BFAELP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)(C)C ZINC000310016734 384797375 /nfs/dbraw/zinc/79/73/75/384797375.db2.gz LEOSALFFZLVPEQ-WCQYABFASA-N 2 2 226.408 2.883 10 0 BFAELP CC[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000310030923 384800051 /nfs/dbraw/zinc/80/00/51/384800051.db2.gz RCNHQBNCJIGZCG-LBPRGKRZSA-N 2 2 223.364 2.688 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCC1 ZINC000178681075 385312068 /nfs/dbraw/zinc/31/20/68/385312068.db2.gz PLSSELZQBODFJR-TZMCWYRMSA-N 2 2 226.408 2.741 10 0 BFAELP CC[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000414550131 385730310 /nfs/dbraw/zinc/73/03/10/385730310.db2.gz MSQVKUSYZSSQDU-HOCLYGCPSA-N 2 2 246.398 2.864 10 0 BFAELP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000414550131 385730313 /nfs/dbraw/zinc/73/03/13/385730313.db2.gz MSQVKUSYZSSQDU-HOCLYGCPSA-N 2 2 246.398 2.864 10 0 BFAELP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C(C)(C)C ZINC000336725359 385844497 /nfs/dbraw/zinc/84/44/97/385844497.db2.gz GIBICNUDBYHXMW-LBPRGKRZSA-N 2 2 214.397 2.741 10 0 BFAELP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C(C)(C)C ZINC000336725359 385844501 /nfs/dbraw/zinc/84/45/01/385844501.db2.gz GIBICNUDBYHXMW-LBPRGKRZSA-N 2 2 214.397 2.741 10 0 BFAELP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021961844 386089077 /nfs/dbraw/zinc/08/90/77/386089077.db2.gz ZVXHRKYFCOCATI-QWHCGFSZSA-N 2 2 226.408 2.743 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CCCC2)C1 ZINC000414332156 386128125 /nfs/dbraw/zinc/12/81/25/386128125.db2.gz DULGYTWSBBCZBV-OCCSQVGLSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CCCC2)C1 ZINC000414332156 386128129 /nfs/dbraw/zinc/12/81/29/386128129.db2.gz DULGYTWSBBCZBV-OCCSQVGLSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC1CC1 ZINC000120348529 387232578 /nfs/dbraw/zinc/23/25/78/387232578.db2.gz BXQDMEHBARZDBQ-GXTWGEPZSA-N 2 2 226.408 2.741 10 0 BFAELP CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897925 387524069 /nfs/dbraw/zinc/52/40/69/387524069.db2.gz PVXSENQPLVBBEG-CYBMUJFWSA-N 2 2 235.375 2.883 10 0 BFAELP CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897925 387524075 /nfs/dbraw/zinc/52/40/75/387524075.db2.gz PVXSENQPLVBBEG-CYBMUJFWSA-N 2 2 235.375 2.883 10 0 BFAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000396703121 387486539 /nfs/dbraw/zinc/48/65/39/387486539.db2.gz VCRZOPHNGQFZHG-APHBMKBZSA-N 2 2 244.382 2.868 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246191518 388622718 /nfs/dbraw/zinc/62/27/18/388622718.db2.gz HZJYUGWURXYZEC-RBSFLKMASA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246191518 388622719 /nfs/dbraw/zinc/62/27/19/388622719.db2.gz HZJYUGWURXYZEC-RBSFLKMASA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246191505 388622985 /nfs/dbraw/zinc/62/29/85/388622985.db2.gz HZJYUGWURXYZEC-KFWWJZLASA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246191505 388622988 /nfs/dbraw/zinc/62/29/88/388622988.db2.gz HZJYUGWURXYZEC-KFWWJZLASA-N 2 2 236.403 2.661 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000248989547 388703940 /nfs/dbraw/zinc/70/39/40/388703940.db2.gz KULPIHFBIXWFEE-NFAWXSAZSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000248989547 388703944 /nfs/dbraw/zinc/70/39/44/388703944.db2.gz KULPIHFBIXWFEE-NFAWXSAZSA-N 2 2 238.419 2.883 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000171614239 134257301 /nfs/dbraw/zinc/25/73/01/134257301.db2.gz KITVFBIBYIMJGJ-ZDUSSCGKSA-N 2 2 235.375 2.738 10 0 BFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000171614239 134257302 /nfs/dbraw/zinc/25/73/02/134257302.db2.gz KITVFBIBYIMJGJ-ZDUSSCGKSA-N 2 2 235.375 2.738 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000250400746 135053785 /nfs/dbraw/zinc/05/37/85/135053785.db2.gz ZCSFTVWJLMAULH-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000250400746 135053786 /nfs/dbraw/zinc/05/37/86/135053786.db2.gz ZCSFTVWJLMAULH-LJISPDSOSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000252154460 135086165 /nfs/dbraw/zinc/08/61/65/135086165.db2.gz OZDUHUWYSUBWPJ-KBMXLJTQSA-N 2 2 244.382 2.649 10 0 BFAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000252154460 135086166 /nfs/dbraw/zinc/08/61/66/135086166.db2.gz OZDUHUWYSUBWPJ-KBMXLJTQSA-N 2 2 244.382 2.649 10 0 BFAELP CC(C)C[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482246 167004834 /nfs/dbraw/zinc/00/48/34/167004834.db2.gz HQTQULSZAIGCGQ-LSDHHAIUSA-N 2 2 238.419 2.744 10 0 BFAELP CC(C)C[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482246 167004836 /nfs/dbraw/zinc/00/48/36/167004836.db2.gz HQTQULSZAIGCGQ-LSDHHAIUSA-N 2 2 238.419 2.744 10 0 BFAELP CC(C)[NH2+]CCCc1[nH+]c2ccc(F)cc2n1C ZINC000052124503 167103106 /nfs/dbraw/zinc/10/31/06/167103106.db2.gz YLVRXVHTERXAGG-UHFFFAOYSA-N 2 2 249.333 2.643 10 0 BFAELP CC(C)[NH2+]CCn1cc[nH+]c1-c1ccccc1 ZINC000042410492 167108405 /nfs/dbraw/zinc/10/84/05/167108405.db2.gz CNTWPHAPQBGBFG-UHFFFAOYSA-N 2 2 229.327 2.548 10 0 BFAELP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420439 167112131 /nfs/dbraw/zinc/11/21/31/167112131.db2.gz AFXRZECOFHVBBX-KFWWJZLASA-N 2 2 240.435 2.987 10 0 BFAELP CC1(C[NH2+]C[C@H]([NH3+])c2ccccc2)CCCC1 ZINC000104435080 168042421 /nfs/dbraw/zinc/04/24/21/168042421.db2.gz KSVFYIPMOGHZBJ-AWEZNQCLSA-N 2 2 232.371 2.856 10 0 BFAELP CC1CCC([N@H+](C)CC2([NH3+])CCCC2)CC1 ZINC000042488262 168158321 /nfs/dbraw/zinc/15/83/21/168158321.db2.gz UFKOYMRWJADMNI-UHFFFAOYSA-N 2 2 224.392 2.768 10 0 BFAELP CC1CCC([N@@H+](C)CC2([NH3+])CCCC2)CC1 ZINC000042488262 168158324 /nfs/dbraw/zinc/15/83/24/168158324.db2.gz UFKOYMRWJADMNI-UHFFFAOYSA-N 2 2 224.392 2.768 10 0 BFAELP CC1CC[NH+]([C@@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000019807621 168185850 /nfs/dbraw/zinc/18/58/50/168185850.db2.gz NCCFBHQIRXSQGE-ZIAGYGMSSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000043102115 168187891 /nfs/dbraw/zinc/18/78/91/168187891.db2.gz CLMFVVPQBDPCDW-YPMHNXCESA-N 2 2 238.400 2.868 10 0 BFAELP CC1CC[NH+]([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000019807620 168187957 /nfs/dbraw/zinc/18/79/57/168187957.db2.gz NCCFBHQIRXSQGE-KBPBESRZSA-N 2 2 224.392 2.626 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2C)n1C ZINC000657291056 411452078 /nfs/dbraw/zinc/45/20/78/411452078.db2.gz RPZMYGVBRBXVPR-LBPRGKRZSA-N 2 2 243.354 2.888 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@H]2CCc3ccccc32)n1C ZINC000657296654 411454806 /nfs/dbraw/zinc/45/48/06/411454806.db2.gz JLUNNAVPBNZOQC-HNNXBMFYSA-N 2 2 241.338 2.506 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(C)c2)n1C ZINC000657486458 411531246 /nfs/dbraw/zinc/53/12/46/411531246.db2.gz AZROXPNSZNZVAT-LBPRGKRZSA-N 2 2 243.354 2.888 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2C)C1 ZINC000328229337 170014311 /nfs/dbraw/zinc/01/43/11/170014311.db2.gz CVECPKFBDDMFJI-GDBMZVCRSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2C)C1 ZINC000328229337 170014312 /nfs/dbraw/zinc/01/43/12/170014312.db2.gz CVECPKFBDDMFJI-GDBMZVCRSA-N 2 2 246.398 2.610 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000336900448 170022059 /nfs/dbraw/zinc/02/20/59/170022059.db2.gz RRXAFEOMECGBJI-KGLIPLIRSA-N 2 2 232.371 2.740 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000336900448 170022061 /nfs/dbraw/zinc/02/20/61/170022061.db2.gz RRXAFEOMECGBJI-KGLIPLIRSA-N 2 2 232.371 2.740 10 0 BFAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCC(C)C)[C@@H](C)C1 ZINC000336776274 170037113 /nfs/dbraw/zinc/03/71/13/170037113.db2.gz FIKXQVLZYWDVPP-MJBXVCDLSA-N 2 2 226.408 2.741 10 0 BFAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCC(C)C)[C@@H](C)C1 ZINC000336776274 170037114 /nfs/dbraw/zinc/03/71/14/170037114.db2.gz FIKXQVLZYWDVPP-MJBXVCDLSA-N 2 2 226.408 2.741 10 0 BFAELP CC[NH2+]C(C)(C)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000061299633 170107868 /nfs/dbraw/zinc/10/78/68/170107868.db2.gz XTXZZHBSALBETD-TXEJJXNPSA-N 2 2 212.381 2.637 10 0 BFAELP CC[NH2+]C(C)(C)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000061299633 170107869 /nfs/dbraw/zinc/10/78/69/170107869.db2.gz XTXZZHBSALBETD-TXEJJXNPSA-N 2 2 212.381 2.637 10 0 BFAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000061363798 170109130 /nfs/dbraw/zinc/10/91/30/170109130.db2.gz NKPSIMZEWRBZFI-LLVKDONJSA-N 2 2 238.400 2.883 10 0 BFAELP CC[NH2+]CC[N@H+](CC)Cc1cc(C)ccc1C ZINC000042367823 170113809 /nfs/dbraw/zinc/11/38/09/170113809.db2.gz JQRFTINAIRPGQC-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CC[NH2+]CC[N@@H+](CC)Cc1cc(C)ccc1C ZINC000042367823 170113810 /nfs/dbraw/zinc/11/38/10/170113810.db2.gz JQRFTINAIRPGQC-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(CC)cc1 ZINC000053648574 170119982 /nfs/dbraw/zinc/11/99/82/170119982.db2.gz ZQJROCTXTWICHV-INIZCTEOSA-N 2 2 246.398 2.823 10 0 BFAELP CC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(CC)cc1 ZINC000053648574 170119983 /nfs/dbraw/zinc/11/99/83/170119983.db2.gz ZQJROCTXTWICHV-INIZCTEOSA-N 2 2 246.398 2.823 10 0 BFAELP CC[NH2+]C[C@H](C)n1c(C)[nH+]c2ccccc21 ZINC000053524205 170121823 /nfs/dbraw/zinc/12/18/23/170121823.db2.gz NVBAGCIPTUHEID-JTQLQIEISA-N 2 2 217.316 2.515 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(F)c1 ZINC000035570342 170146532 /nfs/dbraw/zinc/14/65/32/170146532.db2.gz NRSFHBGILMNHSB-ZDUSSCGKSA-N 2 2 247.317 2.751 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000049526082 170151387 /nfs/dbraw/zinc/15/13/87/170151387.db2.gz VLWCXXIRSBDTKL-UONOGXRCSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000049526082 170151388 /nfs/dbraw/zinc/15/13/88/170151388.db2.gz VLWCXXIRSBDTKL-UONOGXRCSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)cc1C ZINC000035570421 170163408 /nfs/dbraw/zinc/16/34/08/170163408.db2.gz VUBFUKDVOQTMME-CQSZACIVSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@H]1CCC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819861 170166436 /nfs/dbraw/zinc/16/64/36/170166436.db2.gz WXNJTSPLCSFTAD-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)C1CCCCC1 ZINC000020073170 171396101 /nfs/dbraw/zinc/39/61/01/171396101.db2.gz WYFUEGCZJSUZPN-WCQYABFASA-N 2 2 212.381 2.624 10 0 BFAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)C1CCCCC1 ZINC000020073170 171396102 /nfs/dbraw/zinc/39/61/02/171396102.db2.gz WYFUEGCZJSUZPN-WCQYABFASA-N 2 2 212.381 2.624 10 0 BFAELP CCn1c[nH+]c2cc(CCCC[NH2+]C)ccc21 ZINC000107288912 172232290 /nfs/dbraw/zinc/23/22/90/172232290.db2.gz VBPCZEDDKIQBJZ-UHFFFAOYSA-N 2 2 231.343 2.598 10 0 BFAELP C[NH2+]CCCCc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000077394308 173345649 /nfs/dbraw/zinc/34/56/49/173345649.db2.gz PRQUODOTKFTRSZ-UHFFFAOYSA-N 2 2 243.354 2.982 10 0 BFAELP C[NH2+]CCCCc1ccc2[nH+]c(C3CC3)[nH]c2c1 ZINC000077394308 173345650 /nfs/dbraw/zinc/34/56/50/173345650.db2.gz PRQUODOTKFTRSZ-UHFFFAOYSA-N 2 2 243.354 2.982 10 0 BFAELP C[NH2+]CCCCn1cc[nH+]c1-c1ccccc1 ZINC000053540051 173346549 /nfs/dbraw/zinc/34/65/49/173346549.db2.gz XBFLNWDDPOXGPJ-UHFFFAOYSA-N 2 2 229.327 2.550 10 0 BFAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373544 173361756 /nfs/dbraw/zinc/36/17/56/173361756.db2.gz WLUSQRQDCKDCRI-AWEZNQCLSA-N 2 2 240.435 2.989 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[N@H+](C)CC1CCC1 ZINC000061485965 173377837 /nfs/dbraw/zinc/37/78/37/173377837.db2.gz FRMMFOYEVFFEMG-OAHLLOKOSA-N 2 2 232.371 2.679 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)CC1CCC1 ZINC000061485965 173377838 /nfs/dbraw/zinc/37/78/38/173377838.db2.gz FRMMFOYEVFFEMG-OAHLLOKOSA-N 2 2 232.371 2.679 10 0 BFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCCC2(C)C)cc1 ZINC000063065872 175178163 /nfs/dbraw/zinc/17/81/63/175178163.db2.gz IACCWQINNJLQOI-CQSZACIVSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2CCCC2(C)C)cc1 ZINC000063065872 175178166 /nfs/dbraw/zinc/17/81/66/175178166.db2.gz IACCWQINNJLQOI-CQSZACIVSA-N 2 2 248.370 2.569 10 0 BFAELP COc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c(C)[nH]1 ZINC000054798225 175352346 /nfs/dbraw/zinc/35/23/46/175352346.db2.gz TZNKGVOGXWUKHA-JTQLQIEISA-N 2 2 245.326 2.578 10 0 BFAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000043096738 175354402 /nfs/dbraw/zinc/35/44/02/175354402.db2.gz ZSJSGYGWRHQFKL-WFASDCNBSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047900 176079100 /nfs/dbraw/zinc/07/91/00/176079100.db2.gz QWEMMPUYKKZEHM-XBFCOCLRSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047900 176079103 /nfs/dbraw/zinc/07/91/03/176079103.db2.gz QWEMMPUYKKZEHM-XBFCOCLRSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606789 176087046 /nfs/dbraw/zinc/08/70/46/176087046.db2.gz QGPJSPQTDZLCDY-UPJWGTAASA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606789 176087047 /nfs/dbraw/zinc/08/70/47/176087047.db2.gz QGPJSPQTDZLCDY-UPJWGTAASA-N 2 2 236.359 2.790 10 0 BFAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000037910263 176110353 /nfs/dbraw/zinc/11/03/53/176110353.db2.gz XAZUGARYVYHCCZ-MFKMUULPSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000037910263 176110355 /nfs/dbraw/zinc/11/03/55/176110355.db2.gz XAZUGARYVYHCCZ-MFKMUULPSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)C2CCCC2)C1 ZINC000037084217 176133980 /nfs/dbraw/zinc/13/39/80/176133980.db2.gz HFRCKSSLGYIBHL-TZMCWYRMSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)C2CCCC2)C1 ZINC000037084217 176133982 /nfs/dbraw/zinc/13/39/82/176133982.db2.gz HFRCKSSLGYIBHL-TZMCWYRMSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccco2)C1 ZINC000035126767 176134266 /nfs/dbraw/zinc/13/42/66/176134266.db2.gz HOUXRASABSNIFH-TZMCWYRMSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccco2)C1 ZINC000035126767 176134268 /nfs/dbraw/zinc/13/42/68/176134268.db2.gz HOUXRASABSNIFH-TZMCWYRMSA-N 2 2 236.359 2.619 10 0 BFAELP C[C@@H]1CC[N@@H+](C(C)(C)CC(C)(C)C)CC[NH2+]1 ZINC000043437117 176165728 /nfs/dbraw/zinc/16/57/28/176165728.db2.gz UJAIQLFCSIQRCR-GFCCVEGCSA-N 2 2 226.408 2.885 10 0 BFAELP C[C@@H]1CC[N@H+](C(C)(C)CC(C)(C)C)CC[NH2+]1 ZINC000043437117 176165729 /nfs/dbraw/zinc/16/57/29/176165729.db2.gz UJAIQLFCSIQRCR-GFCCVEGCSA-N 2 2 226.408 2.885 10 0 BFAELP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000235352554 176166280 /nfs/dbraw/zinc/16/62/80/176166280.db2.gz IQXAYUDWGBRLAP-LTVAEWHBSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000235352554 176166282 /nfs/dbraw/zinc/16/62/82/176166282.db2.gz IQXAYUDWGBRLAP-LTVAEWHBSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@@H]1CC[N@H+](C/C=C/Cl)C[C@H]1n1cc[nH+]c1 ZINC000245709397 176166743 /nfs/dbraw/zinc/16/67/43/176166743.db2.gz SKDIUJPSKMIRLP-VNPHXJNISA-N 2 2 239.750 2.519 10 0 BFAELP C[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@H]1n1cc[nH+]c1 ZINC000245709397 176166746 /nfs/dbraw/zinc/16/67/46/176166746.db2.gz SKDIUJPSKMIRLP-VNPHXJNISA-N 2 2 239.750 2.519 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)C1 ZINC000043044324 176180035 /nfs/dbraw/zinc/18/00/35/176180035.db2.gz OIEZXVUPUWCUPL-JTNHKYCSSA-N 2 2 236.334 2.556 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C)C1 ZINC000043044324 176180036 /nfs/dbraw/zinc/18/00/36/176180036.db2.gz OIEZXVUPUWCUPL-JTNHKYCSSA-N 2 2 236.334 2.556 10 0 BFAELP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000038088389 176375894 /nfs/dbraw/zinc/37/58/94/176375894.db2.gz DRDHLDXJDRCCLN-JHJVBQTASA-N 2 2 226.408 2.741 10 0 BFAELP C[C@H](c1cccs1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539549 177048515 /nfs/dbraw/zinc/04/85/15/177048515.db2.gz QKUAWXYNIWEFTB-GHMZBOCLSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H](c1cccs1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539549 177048517 /nfs/dbraw/zinc/04/85/17/177048517.db2.gz QKUAWXYNIWEFTB-GHMZBOCLSA-N 2 2 224.373 2.622 10 0 BFAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)CC1CCC1 ZINC000061455520 177085358 /nfs/dbraw/zinc/08/53/58/177085358.db2.gz OBEWZWWXLVWHIY-JSGCOSHPSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)CC1CCC1 ZINC000061455520 177085361 /nfs/dbraw/zinc/08/53/61/177085361.db2.gz OBEWZWWXLVWHIY-JSGCOSHPSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1C1(C[NH3+])CCCCC1 ZINC000050563931 177096518 /nfs/dbraw/zinc/09/65/18/177096518.db2.gz PEOVHJHSDOGJSM-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(C[NH3+])CCCCC1 ZINC000050563931 177096520 /nfs/dbraw/zinc/09/65/20/177096520.db2.gz PEOVHJHSDOGJSM-QWHCGFSZSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CC[N@@H+](C2(C[NH3+])CCCCCCC2)C1 ZINC000040717235 177157060 /nfs/dbraw/zinc/15/70/60/177157060.db2.gz LEPVVMSZHGNLHD-ZDUSSCGKSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@H]1CC[N@H+](C2(C[NH3+])CCCCCCC2)C1 ZINC000040717235 177157061 /nfs/dbraw/zinc/15/70/61/177157061.db2.gz LEPVVMSZHGNLHD-ZDUSSCGKSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H](C1CCCCC1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000052342412 177169820 /nfs/dbraw/zinc/16/98/20/177169820.db2.gz HVWAVTQJMQJQSQ-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H](C1CCCCC1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000052342412 177169821 /nfs/dbraw/zinc/16/98/21/177169821.db2.gz HVWAVTQJMQJQSQ-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]1C[C@H](C)C[NH+](C2(C[NH3+])CCCCC2)C1 ZINC000019807808 177358079 /nfs/dbraw/zinc/35/80/79/177358079.db2.gz KSXHODWRQXAHCR-STQMWFEESA-N 2 2 224.392 2.626 10 0 BFAELP Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400811632 226351950 /nfs/dbraw/zinc/35/19/50/226351950.db2.gz YOUNPUBBXRHTLW-KCQAQPDRSA-N 2 2 232.371 2.786 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000328393311 487674667 /nfs/dbraw/zinc/67/46/67/487674667.db2.gz YLZFQAPDCIMCPB-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000328393311 487674675 /nfs/dbraw/zinc/67/46/75/487674675.db2.gz YLZFQAPDCIMCPB-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccs1 ZINC000396557731 262806199 /nfs/dbraw/zinc/80/61/99/262806199.db2.gz GVWJRVUOORRMHD-DCAQKATOSA-N 2 2 224.373 2.539 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1C ZINC000675788788 487779384 /nfs/dbraw/zinc/77/93/84/487779384.db2.gz MDXBVYLAOFEBOZ-YCPHGPKFSA-N 2 2 246.398 2.904 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC000675788788 487779389 /nfs/dbraw/zinc/77/93/89/487779389.db2.gz MDXBVYLAOFEBOZ-YCPHGPKFSA-N 2 2 246.398 2.904 10 0 BFAELP CCC[C@H](C)C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166493 324386893 /nfs/dbraw/zinc/38/68/93/324386893.db2.gz GGMQZJZTSUAWJL-KBPBESRZSA-N 2 2 228.424 2.989 10 0 BFAELP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000132522409 325223100 /nfs/dbraw/zinc/22/31/00/325223100.db2.gz FAUJDKMHTMCDCR-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000132522409 325223102 /nfs/dbraw/zinc/22/31/02/325223102.db2.gz FAUJDKMHTMCDCR-MGPQQGTHSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000389170349 488079762 /nfs/dbraw/zinc/07/97/62/488079762.db2.gz NRBBGLBUIMGCQW-ZDUSSCGKSA-N 2 2 238.400 2.549 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000389170349 488079765 /nfs/dbraw/zinc/07/97/65/488079765.db2.gz NRBBGLBUIMGCQW-ZDUSSCGKSA-N 2 2 238.400 2.549 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000250400751 535580505 /nfs/dbraw/zinc/58/05/05/535580505.db2.gz ZCSFTVWJLMAULH-MCIONIFRSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000250400751 535580508 /nfs/dbraw/zinc/58/05/08/535580508.db2.gz ZCSFTVWJLMAULH-MCIONIFRSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000250377955 535583016 /nfs/dbraw/zinc/58/30/16/535583016.db2.gz WODZBUNRIICCMA-KKUMJFAQSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000250377955 535583020 /nfs/dbraw/zinc/58/30/20/535583020.db2.gz WODZBUNRIICCMA-KKUMJFAQSA-N 2 2 238.419 2.887 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C1 ZINC000251715651 535824644 /nfs/dbraw/zinc/82/46/44/535824644.db2.gz RORHHYHIVWAPFO-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C1 ZINC000251715651 535824645 /nfs/dbraw/zinc/82/46/45/535824645.db2.gz RORHHYHIVWAPFO-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373387 536148868 /nfs/dbraw/zinc/14/88/68/536148868.db2.gz IMMCTVBSQHMFKJ-STQMWFEESA-N 2 2 233.359 2.614 10 0 BFAELP CC[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373387 536148873 /nfs/dbraw/zinc/14/88/73/536148873.db2.gz IMMCTVBSQHMFKJ-STQMWFEESA-N 2 2 233.359 2.614 10 0 BFAELP C[C@@H]1C[C@H](c2cscc2C(F)F)[NH2+]C[C@H]1[NH3+] ZINC000757210103 586438591 /nfs/dbraw/zinc/43/85/91/586438591.db2.gz AIZBIXKDIBORII-BDODKLCJSA-N 2 2 246.326 2.684 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715114127 712510088 /nfs/dbraw/zinc/51/00/88/712510088.db2.gz QWNHJOLYRYTACN-AULYBMBSSA-N 2 2 241.338 2.692 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564191 178107129 /nfs/dbraw/zinc/10/71/29/178107129.db2.gz OJDDTZJAADFNCL-LSDHHAIUSA-N 2 2 245.370 2.616 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564191 178107131 /nfs/dbraw/zinc/10/71/31/178107131.db2.gz OJDDTZJAADFNCL-LSDHHAIUSA-N 2 2 245.370 2.616 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@H](C)C[NH+]1CCCCC1 ZINC000049500784 178107161 /nfs/dbraw/zinc/10/71/61/178107161.db2.gz KZLKCPORRXEXDN-CYBMUJFWSA-N 2 2 247.386 2.864 10 0 BFAELP Cc1cc(Nc2ccc([NH+](C)C)cc2)[nH+]cc1N ZINC000058408289 178191862 /nfs/dbraw/zinc/19/18/62/178191862.db2.gz BVOKHWSBYFKSJS-UHFFFAOYSA-N 2 2 242.326 2.782 10 0 BFAELP Cc1cc(Nc2ccccc2[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000104314091 178194194 /nfs/dbraw/zinc/19/41/94/178194194.db2.gz OEQBHTOOVILDSJ-SNVBAGLBSA-N 2 2 242.326 2.857 10 0 BFAELP Cc1cc2[nH+]cn(CCCCC(N)=[NH2+])c2cc1C ZINC000049579825 178305868 /nfs/dbraw/zinc/30/58/68/178305868.db2.gz MFDHGCUHOCISDV-UHFFFAOYSA-N 2 2 244.342 2.759 10 0 BFAELP Cc1cc2[nH+]cn([C@H](C)CC(N)=[NH2+])c2cc1C ZINC000048250318 178306258 /nfs/dbraw/zinc/30/62/58/178306258.db2.gz HCFJYSHMOWXWEK-SNVBAGLBSA-N 2 2 230.315 2.540 10 0 BFAELP CCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000040502846 343999002 /nfs/dbraw/zinc/99/90/02/343999002.db2.gz HCWQWYQIFZTMBQ-STQMWFEESA-N 2 2 212.381 2.639 10 0 BFAELP CCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000040502846 343999003 /nfs/dbraw/zinc/99/90/03/343999003.db2.gz HCWQWYQIFZTMBQ-STQMWFEESA-N 2 2 212.381 2.639 10 0 BFAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C)o1 ZINC000035699326 168399988 /nfs/dbraw/zinc/39/99/88/168399988.db2.gz LKDUIPQXDWHWIO-CQSZACIVSA-N 2 2 238.375 2.783 10 0 BFAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C)o1 ZINC000035699326 168399991 /nfs/dbraw/zinc/39/99/91/168399991.db2.gz LKDUIPQXDWHWIO-CQSZACIVSA-N 2 2 238.375 2.783 10 0 BFAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816400 344236685 /nfs/dbraw/zinc/23/66/85/344236685.db2.gz QEUFIPZLWZAZHW-JSGCOSHPSA-N 2 2 220.360 2.505 10 0 BFAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816400 344236687 /nfs/dbraw/zinc/23/66/87/344236687.db2.gz QEUFIPZLWZAZHW-JSGCOSHPSA-N 2 2 220.360 2.505 10 0 BFAELP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000132706153 344306929 /nfs/dbraw/zinc/30/69/29/344306929.db2.gz GUEMRIMLWBMCFP-QWHCGFSZSA-N 2 2 212.381 2.639 10 0 BFAELP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000132706153 344306933 /nfs/dbraw/zinc/30/69/33/344306933.db2.gz GUEMRIMLWBMCFP-QWHCGFSZSA-N 2 2 212.381 2.639 10 0 BFAELP CCC[C@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249461630 537875054 /nfs/dbraw/zinc/87/50/54/537875054.db2.gz FQUARMCFRXDLAE-KBPBESRZSA-N 2 2 235.375 2.784 10 0 BFAELP CCC[C@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249461630 537875058 /nfs/dbraw/zinc/87/50/58/537875058.db2.gz FQUARMCFRXDLAE-KBPBESRZSA-N 2 2 235.375 2.784 10 0 BFAELP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1Cl ZINC000082328947 537969197 /nfs/dbraw/zinc/96/91/97/537969197.db2.gz NOMFBKJFUXAJSA-DGCLKSJQSA-N 2 2 238.762 2.742 10 0 BFAELP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1Cl ZINC000082328947 537969204 /nfs/dbraw/zinc/96/92/04/537969204.db2.gz NOMFBKJFUXAJSA-DGCLKSJQSA-N 2 2 238.762 2.742 10 0 BFAELP CC(C)[NH2+]P([NH2+]C(C)C)c1ccccc1 ZINC000165223977 346645432 /nfs/dbraw/zinc/64/54/32/346645432.db2.gz WLTSEWGSVKQUDL-UHFFFAOYSA-N 2 2 224.288 2.620 10 0 BFAELP Cc1cccc(N[C@H](CC(C)C)C[NH+](C)C)[nH+]1 ZINC000049558208 179157064 /nfs/dbraw/zinc/15/70/64/179157064.db2.gz WTDVEIWQVJZWIQ-CYBMUJFWSA-N 2 2 235.375 2.778 10 0 BFAELP CCOC(=[NH2+])CCCCC(=[NH2+])OCC ZINC000034588124 347119280 /nfs/dbraw/zinc/11/92/80/347119280.db2.gz JCUHTVLZGKPJSS-UHFFFAOYSA-N 2 2 200.282 2.574 10 0 BFAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C)c1 ZINC000042965472 179203747 /nfs/dbraw/zinc/20/37/47/179203747.db2.gz JONUYWJGGCOWDM-OCCSQVGLSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C)c1 ZINC000042965472 179203749 /nfs/dbraw/zinc/20/37/49/179203749.db2.gz JONUYWJGGCOWDM-OCCSQVGLSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)C ZINC000043033511 179328512 /nfs/dbraw/zinc/32/85/12/179328512.db2.gz BPVHUVALDSMCLB-TZMCWYRMSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)C(C)C ZINC000043033511 179328514 /nfs/dbraw/zinc/32/85/14/179328514.db2.gz BPVHUVALDSMCLB-TZMCWYRMSA-N 2 2 220.360 2.724 10 0 BFAELP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2C)n1-c1ccccc1 ZINC000081292692 180155905 /nfs/dbraw/zinc/15/59/05/180155905.db2.gz GQCJPOXBYNNVMQ-IAQYHMDHSA-N 2 2 241.338 2.679 10 0 BFAELP Cc1[nH+]cccc1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132166031 180228413 /nfs/dbraw/zinc/22/84/13/180228413.db2.gz IAZOZEOUVRVPPR-ZFWWWQNUSA-N 2 2 239.322 2.947 10 0 BFAELP Cc1[nH+]cn(-c2ccccc2[C@@H](C)[NH3+])c1C ZINC000051927174 180284981 /nfs/dbraw/zinc/28/49/81/180284981.db2.gz SQXLXFZCAPEXJG-SECBINFHSA-N 2 2 215.300 2.509 10 0 BFAELP Cc1[nH+]cn(-c2ccc(Cl)cc2C[NH3+])c1C ZINC000052858006 180285575 /nfs/dbraw/zinc/28/55/75/180285575.db2.gz LFFUHZZNJLNAPV-UHFFFAOYSA-N 2 2 235.718 2.601 10 0 BFAELP Cc1[nH+]cn(-c2ccc(C[NH3+])c(Cl)c2)c1C ZINC000061846521 180285728 /nfs/dbraw/zinc/28/57/28/180285728.db2.gz BEHUFXXCLJSOEO-UHFFFAOYSA-N 2 2 235.718 2.601 10 0 BFAELP CC(C)[C@H]([C@@H]([NH3+])c1ccccc1)n1cc[nH+]c1 ZINC000023071316 188109367 /nfs/dbraw/zinc/10/93/67/188109367.db2.gz NLFQFHQVWVKFJF-UONOGXRCSA-N 2 2 229.327 2.780 10 0 BFAELP CC(C)C[C@@](C)(C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061819109 188486062 /nfs/dbraw/zinc/48/60/62/188486062.db2.gz VGKKCADEMBFRNG-AWEZNQCLSA-N 2 2 226.408 2.872 10 0 BFAELP [NH2+]=C(Nc1ccc(C[NH3+])cc1)c1cccs1 ZINC000013487048 181200162 /nfs/dbraw/zinc/20/01/62/181200162.db2.gz UWJIELWEAAGFDK-UHFFFAOYSA-N 2 2 231.324 2.644 10 0 BFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(Cl)c1 ZINC000675055808 538476564 /nfs/dbraw/zinc/47/65/64/538476564.db2.gz YWHLJLRPGNEZEF-NEPJUHHUSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(Cl)c1 ZINC000675055808 538476566 /nfs/dbraw/zinc/47/65/66/538476566.db2.gz YWHLJLRPGNEZEF-NEPJUHHUSA-N 2 2 242.725 2.573 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000300135453 357032113 /nfs/dbraw/zinc/03/21/13/357032113.db2.gz JCULGBYSRNDNLL-IHRRRGAJSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000300135453 357032115 /nfs/dbraw/zinc/03/21/15/357032115.db2.gz JCULGBYSRNDNLL-IHRRRGAJSA-N 2 2 238.419 2.885 10 0 BFAELP CC(C)CC[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171641161 134257368 /nfs/dbraw/zinc/25/73/68/134257368.db2.gz NLGRTKGRAWRGOG-HNNXBMFYSA-N 2 2 238.419 2.983 10 0 BFAELP CC(C)CC[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171641161 134257369 /nfs/dbraw/zinc/25/73/69/134257369.db2.gz NLGRTKGRAWRGOG-HNNXBMFYSA-N 2 2 238.419 2.983 10 0 BFAELP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC000089575548 360027946 /nfs/dbraw/zinc/02/79/46/360027946.db2.gz WNPCRKSFHTXFST-NRXISQOPSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC000089575548 360027950 /nfs/dbraw/zinc/02/79/50/360027950.db2.gz WNPCRKSFHTXFST-NRXISQOPSA-N 2 2 238.419 2.887 10 0 BFAELP [NH3+]CC1([NH+]2CCCC2)CCCCCCC1 ZINC000019481644 181360375 /nfs/dbraw/zinc/36/03/75/181360375.db2.gz APYPYEAGVGHOLU-UHFFFAOYSA-N 2 2 210.365 2.524 10 0 BFAELP CC[NH2+]CCCc1ccc2c(c1)[nH+]c(C)n2CC ZINC000107292606 170113993 /nfs/dbraw/zinc/11/39/93/170113993.db2.gz UPLAVADSYJUCDJ-UHFFFAOYSA-N 2 2 245.370 2.907 10 0 BFAELP CCCCc1ccc([C@@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071545177 169023712 /nfs/dbraw/zinc/02/37/12/169023712.db2.gz OEGZEPPCXMCHBC-IUODEOHRSA-N 2 2 234.387 2.979 10 0 BFAELP CCC[N@H+](CC)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043081 169131551 /nfs/dbraw/zinc/13/15/51/169131551.db2.gz JEHLNBWRWAHAIO-BXUZGUMPSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](CC)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043081 169131552 /nfs/dbraw/zinc/13/15/52/169131552.db2.gz JEHLNBWRWAHAIO-BXUZGUMPSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@H+](CC)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971310 169131900 /nfs/dbraw/zinc/13/19/00/169131900.db2.gz MSCUIEGMWXGZNF-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](CC)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971310 169131901 /nfs/dbraw/zinc/13/19/01/169131901.db2.gz MSCUIEGMWXGZNF-RISCZKNCSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@H+](CC1CC1)c1ccccc1CC[NH3+] ZINC000104260063 169138369 /nfs/dbraw/zinc/13/83/69/169138369.db2.gz JKDZGYYPJYJIKL-UHFFFAOYSA-N 2 2 232.371 2.814 10 0 BFAELP CCC[N@@H+](CC1CC1)c1ccccc1CC[NH3+] ZINC000104260063 169138372 /nfs/dbraw/zinc/13/83/72/169138372.db2.gz JKDZGYYPJYJIKL-UHFFFAOYSA-N 2 2 232.371 2.814 10 0 BFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cccs1 ZINC000019257218 169152843 /nfs/dbraw/zinc/15/28/43/169152843.db2.gz DVWSNGHAZHFHJN-LLVKDONJSA-N 2 2 226.389 2.870 10 0 BFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccccc1 ZINC000038916555 169152247 /nfs/dbraw/zinc/15/22/47/169152247.db2.gz WCDPWMDVGAGTFD-CQSZACIVSA-N 2 2 220.360 2.808 10 0 BFAELP CCC[NH2+]CCn1c(CC)[nH+]c2ccccc21 ZINC000049477778 169261160 /nfs/dbraw/zinc/26/11/60/169261160.db2.gz VSUDSVXJBFYTQU-UHFFFAOYSA-N 2 2 231.343 2.598 10 0 BFAELP c1[nH+]cn(CC2CC[NH2+]CC2)c1-c1ccccc1 ZINC000082657143 183380758 /nfs/dbraw/zinc/38/07/58/183380758.db2.gz YDTMJRQFPHZBAB-UHFFFAOYSA-N 2 2 241.338 2.550 10 0 BFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1occc1C ZINC000035586291 169289590 /nfs/dbraw/zinc/28/95/90/169289590.db2.gz WJHBCPIQERVYDT-LLVKDONJSA-N 2 2 233.315 2.595 10 0 BFAELP CCC[NH2+][C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050270494 169279422 /nfs/dbraw/zinc/27/94/22/169279422.db2.gz WRKORAJEMVUEHJ-NSHDSACASA-N 2 2 246.276 2.705 10 0 BFAELP CCCOc1ccc([C@@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000023071995 169321694 /nfs/dbraw/zinc/32/16/94/169321694.db2.gz QPQRVLCXVRFVGK-HNNXBMFYSA-N 2 2 248.370 2.571 10 0 BFAELP CCC[C@@H](C[N@@H+]1CCCc2ccccc2C1)[NH2+]C ZINC000062944526 169383401 /nfs/dbraw/zinc/38/34/01/169383401.db2.gz UBADTTVJOIXBCK-INIZCTEOSA-N 2 2 246.398 2.823 10 0 BFAELP CCC[C@@H](C[N@H+]1CCCc2ccccc2C1)[NH2+]C ZINC000062944526 169383403 /nfs/dbraw/zinc/38/34/03/169383403.db2.gz UBADTTVJOIXBCK-INIZCTEOSA-N 2 2 246.398 2.823 10 0 BFAELP CCC[C@@H](C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042744065 169384008 /nfs/dbraw/zinc/38/40/08/169384008.db2.gz PSKQACBZAVHTQP-QWRGUYRKSA-N 2 2 238.400 2.795 10 0 BFAELP CCC[C@@H](C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000042744065 169384010 /nfs/dbraw/zinc/38/40/10/169384010.db2.gz PSKQACBZAVHTQP-QWRGUYRKSA-N 2 2 238.400 2.795 10 0 BFAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@H+](CC)Cc1ccncc1 ZINC000042515696 169393190 /nfs/dbraw/zinc/39/31/90/169393190.db2.gz QHDUIPVQFZJELG-HUUCEWRRSA-N 2 2 249.402 2.810 10 0 BFAELP CCC[C@@H]([NH3+])[C@@H](CC)[N@@H+](CC)Cc1ccncc1 ZINC000042515696 169393192 /nfs/dbraw/zinc/39/31/92/169393192.db2.gz QHDUIPVQFZJELG-HUUCEWRRSA-N 2 2 249.402 2.810 10 0 BFAELP CC(C)c1[nH+]ccn1Cc1[nH+]ccn1C(C)C ZINC000120794875 384380674 /nfs/dbraw/zinc/38/06/74/384380674.db2.gz FLNXKUNNAVURSV-UHFFFAOYSA-N 2 2 232.331 2.832 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000310034911 384595359 /nfs/dbraw/zinc/59/53/59/384595359.db2.gz SSJGXYVSNPGFKS-KGLIPLIRSA-N 2 2 226.408 2.885 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000310034911 384595364 /nfs/dbraw/zinc/59/53/64/384595364.db2.gz SSJGXYVSNPGFKS-KGLIPLIRSA-N 2 2 226.408 2.885 10 0 BFAELP C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000052272645 384728199 /nfs/dbraw/zinc/72/81/99/384728199.db2.gz RHMJCPVKYYNEGA-HUBLWGQQSA-N 2 2 241.338 2.931 10 0 BFAELP CCc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764349 384850020 /nfs/dbraw/zinc/85/00/20/384850020.db2.gz MZPWPSYJPVGCGT-NSHDSACASA-N 2 2 229.327 2.823 10 0 BFAELP C(=C/c1ccccc1)\C[NH2+]CCCn1cc[nH+]c1 ZINC000034828159 385290710 /nfs/dbraw/zinc/29/07/10/385290710.db2.gz CNBQJLWORCGRDW-XBXARRHUSA-N 2 2 241.338 2.576 10 0 BFAELP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)[C@H]1C ZINC000311082013 385302127 /nfs/dbraw/zinc/30/21/27/385302127.db2.gz MDPCTSRFPLHNFG-BFJAYTPKSA-N 2 2 246.398 2.923 10 0 BFAELP CC[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181120918 385563676 /nfs/dbraw/zinc/56/36/76/385563676.db2.gz IMMCTVBSQHMFKJ-CHWSQXEVSA-N 2 2 233.359 2.614 10 0 BFAELP CC[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181120918 385563677 /nfs/dbraw/zinc/56/36/77/385563677.db2.gz IMMCTVBSQHMFKJ-CHWSQXEVSA-N 2 2 233.359 2.614 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2CCCC2)C1 ZINC000414332158 386127572 /nfs/dbraw/zinc/12/75/72/386127572.db2.gz DULGYTWSBBCZBV-TZMCWYRMSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2CCCC2)C1 ZINC000414332158 386127580 /nfs/dbraw/zinc/12/75/80/386127580.db2.gz DULGYTWSBBCZBV-TZMCWYRMSA-N 2 2 224.392 2.639 10 0 BFAELP c1ccc([C@H]2CCCC[N@H+]2[C@H]2CC[NH2+]C2)cc1 ZINC000575332133 386680667 /nfs/dbraw/zinc/68/06/67/386680667.db2.gz QQVJBDKBHYPDFV-LSDHHAIUSA-N 2 2 230.355 2.576 10 0 BFAELP c1ccc([C@H]2CCCC[N@@H+]2[C@H]2CC[NH2+]C2)cc1 ZINC000575332133 386680674 /nfs/dbraw/zinc/68/06/74/386680674.db2.gz QQVJBDKBHYPDFV-LSDHHAIUSA-N 2 2 230.355 2.576 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396521976 386772473 /nfs/dbraw/zinc/77/24/73/386772473.db2.gz CTWYJXWUGQQSDW-YDHLFZDLSA-N 2 2 232.371 2.786 10 0 BFAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCCCCC2)C1 ZINC000309918128 388468751 /nfs/dbraw/zinc/46/87/51/388468751.db2.gz QMYCZVIHIOWJFP-TZMCWYRMSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCCCCC2)C1 ZINC000309918128 388468754 /nfs/dbraw/zinc/46/87/54/388468754.db2.gz QMYCZVIHIOWJFP-TZMCWYRMSA-N 2 2 224.392 2.639 10 0 BFAELP CC(C)(C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000301111187 388529264 /nfs/dbraw/zinc/52/92/64/388529264.db2.gz VQRRAGAFNARYNP-UHFFFAOYSA-N 2 2 233.359 2.756 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)C)C1 ZINC000328174075 388581239 /nfs/dbraw/zinc/58/12/39/388581239.db2.gz KSOFKYNDAAMJLR-ZNMIVQPWSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)C)C1 ZINC000328174075 388581241 /nfs/dbraw/zinc/58/12/41/388581241.db2.gz KSOFKYNDAAMJLR-ZNMIVQPWSA-N 2 2 238.419 2.885 10 0 BFAELP CCC[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000249296520 388717163 /nfs/dbraw/zinc/71/71/63/388717163.db2.gz RCJZOTDQCZWDOP-JSGCOSHPSA-N 2 2 235.375 2.845 10 0 BFAELP CCC[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000249296520 388717166 /nfs/dbraw/zinc/71/71/66/388717166.db2.gz RCJZOTDQCZWDOP-JSGCOSHPSA-N 2 2 235.375 2.845 10 0 BFAELP Cc1ccc([NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000082552070 132414574 /nfs/dbraw/zinc/41/45/74/132414574.db2.gz ZNDMZQKUYCALFO-UHFFFAOYSA-N 2 2 244.382 2.965 10 0 BFAELP c1coc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182785638 134348066 /nfs/dbraw/zinc/34/80/66/134348066.db2.gz LNUBJTQJOGSPOW-ZDUSSCGKSA-N 2 2 245.326 2.703 10 0 BFAELP c1coc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182785638 134348067 /nfs/dbraw/zinc/34/80/67/134348067.db2.gz LNUBJTQJOGSPOW-ZDUSSCGKSA-N 2 2 245.326 2.703 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000250266977 135051782 /nfs/dbraw/zinc/05/17/82/135051782.db2.gz KPEWKZJUVODEMG-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000250266977 135051783 /nfs/dbraw/zinc/05/17/83/135051783.db2.gz KPEWKZJUVODEMG-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000253194578 135123955 /nfs/dbraw/zinc/12/39/55/135123955.db2.gz QHSZUXMVGVDDFI-YNEHKIRRSA-N 2 2 224.392 2.637 10 0 BFAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000253194578 135123956 /nfs/dbraw/zinc/12/39/56/135123956.db2.gz QHSZUXMVGVDDFI-YNEHKIRRSA-N 2 2 224.392 2.637 10 0 BFAELP Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])s1 ZINC000261535415 135169595 /nfs/dbraw/zinc/16/95/95/135169595.db2.gz YJHAYLFEXKCPMW-PWSUYJOCSA-N 2 2 238.400 2.616 10 0 BFAELP Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])s1 ZINC000261535415 135169597 /nfs/dbraw/zinc/16/95/97/135169597.db2.gz YJHAYLFEXKCPMW-PWSUYJOCSA-N 2 2 238.400 2.616 10 0 BFAELP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373018 167111328 /nfs/dbraw/zinc/11/13/28/167111328.db2.gz LOXKBGOIUZEOFD-ZBFHGGJFSA-N 2 2 246.398 2.862 10 0 BFAELP CC(C)[NH2+]C[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373018 167111330 /nfs/dbraw/zinc/11/13/30/167111330.db2.gz LOXKBGOIUZEOFD-ZBFHGGJFSA-N 2 2 246.398 2.862 10 0 BFAELP CC(C)Oc1ccc([C@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000023068433 167301232 /nfs/dbraw/zinc/30/12/32/167301232.db2.gz YXDMFSHDHPSNGR-OAHLLOKOSA-N 2 2 248.370 2.569 10 0 BFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000049197007 167395978 /nfs/dbraw/zinc/39/59/78/167395978.db2.gz VHSPYGSXIHLLFC-GOEBONIOSA-N 2 2 248.414 2.966 10 0 BFAELP Cc1cnc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000397547236 410925548 /nfs/dbraw/zinc/92/55/48/410925548.db2.gz VTQVTNFOZWZWBD-GFCCVEGCSA-N 2 2 245.326 2.580 10 0 BFAELP CC1CC[NH+]([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000019807605 168186790 /nfs/dbraw/zinc/18/67/90/168186790.db2.gz XWNIDCVXSORJSW-KGLIPLIRSA-N 2 2 224.392 2.626 10 0 BFAELP CC1CC[NH+]([C@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000019807622 168187737 /nfs/dbraw/zinc/18/77/37/168187737.db2.gz NCCFBHQIRXSQGE-KGLIPLIRSA-N 2 2 224.392 2.626 10 0 BFAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)o1 ZINC000657292315 411453415 /nfs/dbraw/zinc/45/34/15/411453415.db2.gz MCPOWONHSGPUEU-LLVKDONJSA-N 2 2 245.326 2.582 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328233387 170010892 /nfs/dbraw/zinc/01/08/92/170010892.db2.gz FNHKPEDIOJVROW-GOEBONIOSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328233387 170010894 /nfs/dbraw/zinc/01/08/94/170010894.db2.gz FNHKPEDIOJVROW-GOEBONIOSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000328517263 170014433 /nfs/dbraw/zinc/01/44/33/170014433.db2.gz QBLUJCCMRZEEQM-BXUZGUMPSA-N 2 2 236.334 2.571 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000328517263 170014434 /nfs/dbraw/zinc/01/44/34/170014434.db2.gz QBLUJCCMRZEEQM-BXUZGUMPSA-N 2 2 236.334 2.571 10 0 BFAELP CC[NH2+]C[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000053524200 170118737 /nfs/dbraw/zinc/11/87/37/170118737.db2.gz NVBAGCIPTUHEID-SNVBAGLBSA-N 2 2 217.316 2.515 10 0 BFAELP CC[NH2+]C[C@H](CC)[N@H+](C)Cc1ccccc1C ZINC000052547031 170121849 /nfs/dbraw/zinc/12/18/49/170121849.db2.gz RLHAPCZAOZDTNB-HNNXBMFYSA-N 2 2 234.387 2.815 10 0 BFAELP CC[NH2+]C[C@H](CC)[N@@H+](C)Cc1ccccc1C ZINC000052547031 170121850 /nfs/dbraw/zinc/12/18/50/170121850.db2.gz RLHAPCZAOZDTNB-HNNXBMFYSA-N 2 2 234.387 2.815 10 0 BFAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)C1 ZINC000052484713 170122755 /nfs/dbraw/zinc/12/27/55/170122755.db2.gz SSYZGMUQUCWDKF-DZGCQCFKSA-N 2 2 232.371 2.679 10 0 BFAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+]1CC[C@H](C)C1 ZINC000052484713 170122756 /nfs/dbraw/zinc/12/27/56/170122756.db2.gz SSYZGMUQUCWDKF-DZGCQCFKSA-N 2 2 232.371 2.679 10 0 BFAELP CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc[nH+]c1 ZINC000034663894 170140998 /nfs/dbraw/zinc/14/09/98/170140998.db2.gz RRPCTUROSRRQOF-JTQLQIEISA-N 2 2 233.290 2.682 10 0 BFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)cc1C ZINC000035570419 170146774 /nfs/dbraw/zinc/14/67/74/170146774.db2.gz VUBFUKDVOQTMME-AWEZNQCLSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C)cc2)C1 ZINC000049557898 170151308 /nfs/dbraw/zinc/15/13/08/170151308.db2.gz RZTBYCCSNXSCDE-DZGCQCFKSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccc(C)cc2)C1 ZINC000049557898 170151310 /nfs/dbraw/zinc/15/13/10/170151310.db2.gz RZTBYCCSNXSCDE-DZGCQCFKSA-N 2 2 232.371 2.740 10 0 BFAELP CC[NH2+][C@@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000037240288 170151967 /nfs/dbraw/zinc/15/19/67/170151967.db2.gz DITAHFKUVYZHNX-IBHBGHMQSA-N 2 2 248.414 2.639 10 0 BFAELP CC[NH2+][C@@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000037240288 170151969 /nfs/dbraw/zinc/15/19/69/170151969.db2.gz DITAHFKUVYZHNX-IBHBGHMQSA-N 2 2 248.414 2.639 10 0 BFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417787 170152486 /nfs/dbraw/zinc/15/24/86/170152486.db2.gz ZHXBIDKYMBPPKN-FQKPHLNHSA-N 2 2 238.419 2.741 10 0 BFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104417787 170152487 /nfs/dbraw/zinc/15/24/87/170152487.db2.gz ZHXBIDKYMBPPKN-FQKPHLNHSA-N 2 2 238.419 2.741 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(C)cc(C)c1 ZINC000035570305 170163232 /nfs/dbraw/zinc/16/32/32/170163232.db2.gz SEKFGIQEEXMGCJ-CQSZACIVSA-N 2 2 243.354 2.920 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(C)c1C ZINC000035570389 170163531 /nfs/dbraw/zinc/16/35/31/170163531.db2.gz AYCXWDVMGOPDCH-CQSZACIVSA-N 2 2 243.354 2.920 10 0 BFAELP CC[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000042867322 171012170 /nfs/dbraw/zinc/01/21/70/171012170.db2.gz RDNZAZTVEOQWAP-SOUVJXGZSA-N 2 2 238.419 2.887 10 0 BFAELP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000042867322 171012173 /nfs/dbraw/zinc/01/21/73/171012173.db2.gz RDNZAZTVEOQWAP-SOUVJXGZSA-N 2 2 238.419 2.887 10 0 BFAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032090472 171313734 /nfs/dbraw/zinc/31/37/34/171313734.db2.gz WYKVHFYFKDLSFX-NSHDSACASA-N 2 2 240.778 2.899 10 0 BFAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032090472 171313736 /nfs/dbraw/zinc/31/37/36/171313736.db2.gz WYKVHFYFKDLSFX-NSHDSACASA-N 2 2 240.778 2.899 10 0 BFAELP CC[C@H](C)[C@H](C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000037228126 171392628 /nfs/dbraw/zinc/39/26/28/171392628.db2.gz JXSXJOWHAJLTPY-FZMZJTMJSA-N 2 2 238.350 2.631 10 0 BFAELP CC[C@H](C)[C@H](C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000037228126 171392630 /nfs/dbraw/zinc/39/26/30/171392630.db2.gz JXSXJOWHAJLTPY-FZMZJTMJSA-N 2 2 238.350 2.631 10 0 BFAELP CCn1c[nH+]c2cc(CCC[NH2+]C3CC3)ccc21 ZINC000107291973 172232328 /nfs/dbraw/zinc/23/23/28/172232328.db2.gz HPLSDJWXQBYXLE-UHFFFAOYSA-N 2 2 243.354 2.741 10 0 BFAELP C[NH2+]C(C)(C)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000061319764 173319420 /nfs/dbraw/zinc/31/94/20/173319420.db2.gz JWDLTPUZFJFEMC-JTQLQIEISA-N 2 2 238.400 2.665 10 0 BFAELP C[NH2+]C(C)(C)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000061319764 173319421 /nfs/dbraw/zinc/31/94/21/173319421.db2.gz JWDLTPUZFJFEMC-JTQLQIEISA-N 2 2 238.400 2.665 10 0 BFAELP C[NH2+]C[C@@H](C)Oc1cc(C)[nH+]c2ccccc21 ZINC000051867169 173365221 /nfs/dbraw/zinc/36/52/21/173365221.db2.gz OXONXOVEGRCKTM-LLVKDONJSA-N 2 2 230.311 2.530 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)C1CCCC1 ZINC000052445027 173367097 /nfs/dbraw/zinc/36/70/97/173367097.db2.gz FOPDMXNOSRDPNR-HNNXBMFYSA-N 2 2 232.371 2.822 10 0 BFAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)C1CCCC1 ZINC000052445027 173367098 /nfs/dbraw/zinc/36/70/98/173367098.db2.gz FOPDMXNOSRDPNR-HNNXBMFYSA-N 2 2 232.371 2.822 10 0 BFAELP COc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c(C)[nH]1 ZINC000054798228 175344389 /nfs/dbraw/zinc/34/43/89/175344389.db2.gz TZNKGVOGXWUKHA-SNVBAGLBSA-N 2 2 245.326 2.578 10 0 BFAELP C[C@@H](c1cccs1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC000054135281 176033532 /nfs/dbraw/zinc/03/35/32/176033532.db2.gz KQFCJXXZUUGLJQ-NWDGAFQWSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@@H](c1cccs1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC000054135281 176033533 /nfs/dbraw/zinc/03/35/33/176033533.db2.gz KQFCJXXZUUGLJQ-NWDGAFQWSA-N 2 2 238.400 2.883 10 0 BFAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000022177199 176074831 /nfs/dbraw/zinc/07/48/31/176074831.db2.gz OPFUDJXRLOWMOT-RISCZKNCSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000022177199 176074833 /nfs/dbraw/zinc/07/48/33/176074833.db2.gz OPFUDJXRLOWMOT-RISCZKNCSA-N 2 2 236.334 2.700 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)CC1CCC1 ZINC000061455518 176083157 /nfs/dbraw/zinc/08/31/57/176083157.db2.gz OBEWZWWXLVWHIY-OCCSQVGLSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)CC1CCC1 ZINC000061455518 176083159 /nfs/dbraw/zinc/08/31/59/176083159.db2.gz OBEWZWWXLVWHIY-OCCSQVGLSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCCCC2)[C@@H]1C ZINC000050566855 176096131 /nfs/dbraw/zinc/09/61/31/176096131.db2.gz BXAIWECDBHXJNU-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCCCC2)[C@@H]1C ZINC000050566855 176096132 /nfs/dbraw/zinc/09/61/32/176096132.db2.gz BXAIWECDBHXJNU-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000019807699 176096810 /nfs/dbraw/zinc/09/68/10/176096810.db2.gz NBFPIUDVQPXVCW-CYBMUJFWSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1CCC[N@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000019807699 176096812 /nfs/dbraw/zinc/09/68/12/176096812.db2.gz NBFPIUDVQPXVCW-CYBMUJFWSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)[C@@H]1C ZINC000054239982 176123188 /nfs/dbraw/zinc/12/31/88/176123188.db2.gz QVYWLXLJSKLXFO-APIJFGDWSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000054239982 176123189 /nfs/dbraw/zinc/12/31/89/176123189.db2.gz QVYWLXLJSKLXFO-APIJFGDWSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)[C@@H]1C ZINC000054239980 176143915 /nfs/dbraw/zinc/14/39/15/176143915.db2.gz QVYWLXLJSKLXFO-KBXIAJHMSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC000054239980 176143916 /nfs/dbraw/zinc/14/39/16/176143916.db2.gz QVYWLXLJSKLXFO-KBXIAJHMSA-N 2 2 238.419 2.885 10 0 BFAELP C[C@@H]1CC[N@@H+](C2(C[NH3+])CCCCCCC2)C1 ZINC000040717234 176166041 /nfs/dbraw/zinc/16/60/41/176166041.db2.gz LEPVVMSZHGNLHD-CYBMUJFWSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1CC[N@H+](C2(C[NH3+])CCCCCCC2)C1 ZINC000040717234 176166043 /nfs/dbraw/zinc/16/60/43/176166043.db2.gz LEPVVMSZHGNLHD-CYBMUJFWSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000023069299 176361243 /nfs/dbraw/zinc/36/12/43/176361243.db2.gz XPLVMAQLUPYSMC-YIYPIFLZSA-N 2 2 224.392 2.624 10 0 BFAELP C[C@H](c1cccc(Cl)c1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014492 177036967 /nfs/dbraw/zinc/03/69/67/177036967.db2.gz BSHNXNXCYCXIJP-ZWNOBZJWSA-N 2 2 238.762 2.695 10 0 BFAELP C[C@H](c1cccc(Cl)c1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000062014492 177036968 /nfs/dbraw/zinc/03/69/68/177036968.db2.gz BSHNXNXCYCXIJP-ZWNOBZJWSA-N 2 2 238.762 2.695 10 0 BFAELP C[C@H]1CCCC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000020071618 177074579 /nfs/dbraw/zinc/07/45/79/177074579.db2.gz RAKBUGNFDFCCDH-LBPRGKRZSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@H]1CCCC[N@H+]1CC1([NH3+])CCCCC1 ZINC000020071618 177074581 /nfs/dbraw/zinc/07/45/81/177074581.db2.gz RAKBUGNFDFCCDH-LBPRGKRZSA-N 2 2 210.365 2.522 10 0 BFAELP C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606788 177081072 /nfs/dbraw/zinc/08/10/72/177081072.db2.gz QGPJSPQTDZLCDY-AVGNSLFASA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccco1 ZINC000042606788 177081074 /nfs/dbraw/zinc/08/10/74/177081074.db2.gz QGPJSPQTDZLCDY-AVGNSLFASA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047903 177086964 /nfs/dbraw/zinc/08/69/64/177086964.db2.gz QWEMMPUYKKZEHM-YUTCNCBUSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047903 177086966 /nfs/dbraw/zinc/08/69/66/177086966.db2.gz QWEMMPUYKKZEHM-YUTCNCBUSA-N 2 2 236.359 2.790 10 0 BFAELP C[C@H]1CCC[N@@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000019807700 177096265 /nfs/dbraw/zinc/09/62/65/177096265.db2.gz NBFPIUDVQPXVCW-ZDUSSCGKSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@H]1CCC[N@H+](C2(C[NH3+])CCCCCC2)C1 ZINC000019807700 177096267 /nfs/dbraw/zinc/09/62/67/177096267.db2.gz NBFPIUDVQPXVCW-ZDUSSCGKSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1C ZINC000042972172 177111629 /nfs/dbraw/zinc/11/16/29/177111629.db2.gz OZRUTTVNRKNQEU-MISXGVKJSA-N 2 2 236.334 2.698 10 0 BFAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1C ZINC000042972172 177111631 /nfs/dbraw/zinc/11/16/31/177111631.db2.gz OZRUTTVNRKNQEU-MISXGVKJSA-N 2 2 236.334 2.698 10 0 BFAELP C[C@H]1CCCN1c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000037909612 177111911 /nfs/dbraw/zinc/11/19/11/177111911.db2.gz VRMAATBGZZBKBU-NSHDSACASA-N 2 2 241.338 2.682 10 0 BFAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000037910264 177112320 /nfs/dbraw/zinc/11/23/20/177112320.db2.gz XAZUGARYVYHCCZ-GWCFXTLKSA-N 2 2 238.762 2.824 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1ccco1 ZINC000019795931 177117335 /nfs/dbraw/zinc/11/73/35/177117335.db2.gz SMVTZIMNTGXSEV-TUAOUCFPSA-N 2 2 222.332 2.542 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1ccco1 ZINC000019795931 177117336 /nfs/dbraw/zinc/11/73/36/177117336.db2.gz SMVTZIMNTGXSEV-TUAOUCFPSA-N 2 2 222.332 2.542 10 0 BFAELP C[C@H]1[C@H]([NH2+]CCCn2cc[nH+]c2)CCC[C@@H]1C ZINC000049327836 177122949 /nfs/dbraw/zinc/12/29/49/177122949.db2.gz FAJAIYBFXFUFGT-BFHYXJOUSA-N 2 2 235.375 2.688 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000019807712 177127835 /nfs/dbraw/zinc/12/78/35/177127835.db2.gz NRNSXKXMRDWFNJ-UONOGXRCSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@H]1CCC[C@H]([N@@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611796 177135147 /nfs/dbraw/zinc/13/51/47/177135147.db2.gz FJQHSNXHZIQBRL-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]1CCC[C@H]([N@H+]2CCC[NH2+]C(C)(C)C2)C1 ZINC000062611796 177135148 /nfs/dbraw/zinc/13/51/48/177135148.db2.gz FJQHSNXHZIQBRL-STQMWFEESA-N 2 2 224.392 2.639 10 0 BFAELP C[C@H]1C[C@@H](Oc2ccc3c[nH+]ccc3c2)CC[NH2+]1 ZINC000202378736 177338332 /nfs/dbraw/zinc/33/83/32/177338332.db2.gz VANWFDMUTAAJST-NHYWBVRUSA-N 2 2 242.322 2.754 10 0 BFAELP Cc1cccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400811631 226351917 /nfs/dbraw/zinc/35/19/17/226351917.db2.gz YOUNPUBBXRHTLW-IPYPFGDCSA-N 2 2 232.371 2.786 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000328393312 487674758 /nfs/dbraw/zinc/67/47/58/487674758.db2.gz YLZFQAPDCIMCPB-IHRRRGAJSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000328393312 487674764 /nfs/dbraw/zinc/67/47/64/487674764.db2.gz YLZFQAPDCIMCPB-IHRRRGAJSA-N 2 2 224.392 2.639 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396521952 262805598 /nfs/dbraw/zinc/80/55/98/262805598.db2.gz CTWYJXWUGQQSDW-GUTXKFCHSA-N 2 2 232.371 2.786 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397861210 262938084 /nfs/dbraw/zinc/93/80/84/262938084.db2.gz VCLIWUQXSTYXMR-BFHYXJOUSA-N 2 2 240.435 2.987 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000675725800 487770722 /nfs/dbraw/zinc/77/07/22/487770722.db2.gz ITZIEVBXNHTVHJ-WWGRRREGSA-N 2 2 246.398 2.850 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000675725800 487770727 /nfs/dbraw/zinc/77/07/27/487770727.db2.gz ITZIEVBXNHTVHJ-WWGRRREGSA-N 2 2 246.398 2.850 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247156417 323132039 /nfs/dbraw/zinc/13/20/39/323132039.db2.gz TXKRHQGJUZSHIF-XUXIUFHCSA-N 2 2 226.408 2.739 10 0 BFAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247156417 323132040 /nfs/dbraw/zinc/13/20/40/323132040.db2.gz TXKRHQGJUZSHIF-XUXIUFHCSA-N 2 2 226.408 2.739 10 0 BFAELP C[C@H]1CC[N@H+](CC[NH2+]CC2CCC(C)CC2)C1 ZINC000677878697 488144157 /nfs/dbraw/zinc/14/41/57/488144157.db2.gz GVENWBLNWLCJDH-SLTAFYQDSA-N 2 2 238.419 2.744 10 0 BFAELP C[C@H]1CC[N@@H+](CC[NH2+]CC2CCC(C)CC2)C1 ZINC000677878697 488144162 /nfs/dbraw/zinc/14/41/62/488144162.db2.gz GVENWBLNWLCJDH-SLTAFYQDSA-N 2 2 238.419 2.744 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000249615445 535540382 /nfs/dbraw/zinc/54/03/82/535540382.db2.gz YIHBXWWYVCPVAO-UKRRQHHQSA-N 2 2 232.371 2.822 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000249615445 535540388 /nfs/dbraw/zinc/54/03/88/535540388.db2.gz YIHBXWWYVCPVAO-UKRRQHHQSA-N 2 2 232.371 2.822 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCCC[C@@H]1C ZINC000051399426 536468979 /nfs/dbraw/zinc/46/89/79/536468979.db2.gz GHUCFKUKPBULOV-ZDUSSCGKSA-N 2 2 247.386 2.797 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086856913 535581923 /nfs/dbraw/zinc/58/19/23/535581923.db2.gz GEIQQJDWKJMLKN-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000086856913 535581928 /nfs/dbraw/zinc/58/19/28/535581928.db2.gz GEIQQJDWKJMLKN-QWHCGFSZSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227577228 535582267 /nfs/dbraw/zinc/58/22/67/535582267.db2.gz WODZBUNRIICCMA-KFWWJZLASA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227577228 535582270 /nfs/dbraw/zinc/58/22/70/535582270.db2.gz WODZBUNRIICCMA-KFWWJZLASA-N 2 2 238.419 2.887 10 0 BFAELP CC(C)[C@@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757130902 582505315 /nfs/dbraw/zinc/50/53/15/582505315.db2.gz OLRCPBYNTHWDAS-HIFRSBDPSA-N 2 2 236.403 2.591 10 0 BFAELP CC(C)[C@@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757130902 582505316 /nfs/dbraw/zinc/50/53/16/582505316.db2.gz OLRCPBYNTHWDAS-HIFRSBDPSA-N 2 2 236.403 2.591 10 0 BFAELP C[C@@H]1C[NH2+][C@@H](c2ccc(C3(C)CC3)cc2)[C@H]([NH3+])C1 ZINC000757216974 582561918 /nfs/dbraw/zinc/56/19/18/582561918.db2.gz RAJAOXCPAGRPOB-GLQYFDAESA-N 2 2 244.382 2.736 10 0 BFAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757211790 586438774 /nfs/dbraw/zinc/43/87/74/586438774.db2.gz ITYXKLYYGIAZOI-DFBGVHRSSA-N 2 2 244.382 2.878 10 0 BFAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2ccc(C3(C)CC3)cc2)[NH2+]1 ZINC000757211781 586438959 /nfs/dbraw/zinc/43/89/59/586438959.db2.gz ITYXKLYYGIAZOI-BYCMXARLSA-N 2 2 244.382 2.878 10 0 BFAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cscc2C(F)F)[NH2+]1 ZINC000757235834 586443845 /nfs/dbraw/zinc/44/38/45/586443845.db2.gz MXJKCPDUMJTYMB-BDODKLCJSA-N 2 2 246.326 2.826 10 0 BFAELP C[C@@H]1C[NH2+][C@H](c2cscc2C(F)F)[C@@H]([NH3+])C1 ZINC000757238541 586444137 /nfs/dbraw/zinc/44/41/37/586444137.db2.gz SORYMMGGUKODFE-JMOVZRAMSA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H]1C[NH2+][C@@H](c2cscc2C(F)F)[C@@H]([NH3+])C1 ZINC000757238545 586444194 /nfs/dbraw/zinc/44/41/94/586444194.db2.gz SORYMMGGUKODFE-JUWDTYFHSA-N 2 2 246.326 2.684 10 0 BFAELP CCCC[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000020129408 590077567 /nfs/dbraw/zinc/07/75/67/590077567.db2.gz AIHQVZQKYODIDV-AWEZNQCLSA-N 2 2 220.360 2.679 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCc1ccccc1 ZINC000037166766 712549599 /nfs/dbraw/zinc/54/95/99/712549599.db2.gz XEEKZRBAHJZDRT-MRXNPFEDSA-N 2 2 248.414 2.795 10 0 BFAELP CC1(C)CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000719277552 712802996 /nfs/dbraw/zinc/80/29/96/712802996.db2.gz VMQVRMAEDSINMS-ZDUSSCGKSA-N 2 2 235.375 2.832 10 0 BFAELP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000086833082 398192064 /nfs/dbraw/zinc/19/20/64/398192064.db2.gz FUSMABHBJDYZPF-JTQLQIEISA-N 2 2 239.750 2.631 10 0 BFAELP CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000086833082 398192065 /nfs/dbraw/zinc/19/20/65/398192065.db2.gz FUSMABHBJDYZPF-JTQLQIEISA-N 2 2 239.750 2.631 10 0 BFAELP Cc1cc([N@H+](C)CC2CCC2)ccc1CC[NH3+] ZINC000104281929 178096862 /nfs/dbraw/zinc/09/68/62/178096862.db2.gz SLUJHVTZWMHKBL-UHFFFAOYSA-N 2 2 232.371 2.733 10 0 BFAELP Cc1cc([N@@H+](C)CC2CCC2)ccc1CC[NH3+] ZINC000104281929 178096864 /nfs/dbraw/zinc/09/68/64/178096864.db2.gz SLUJHVTZWMHKBL-UHFFFAOYSA-N 2 2 232.371 2.733 10 0 BFAELP Cc1cc([NH3+])ccc1NCC(C)(C)C[NH+](C)C ZINC000036950115 178105997 /nfs/dbraw/zinc/10/59/97/178105997.db2.gz PILDAKFHGDJUDT-UHFFFAOYSA-N 2 2 235.375 2.577 10 0 BFAELP Cc1cc([NH3+])ccc1N[C@@H](C[NH+](C)C)C(C)C ZINC000049194679 178107005 /nfs/dbraw/zinc/10/70/05/178107005.db2.gz JXPNKTHJOLLJIB-AWEZNQCLSA-N 2 2 235.375 2.575 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000336895148 398218121 /nfs/dbraw/zinc/21/81/21/398218121.db2.gz MPGIDGVBCDQVHU-XJKSGUPXSA-N 2 2 246.398 2.994 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000336895148 398218122 /nfs/dbraw/zinc/21/81/22/398218122.db2.gz MPGIDGVBCDQVHU-XJKSGUPXSA-N 2 2 246.398 2.994 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000336895143 398218131 /nfs/dbraw/zinc/21/81/31/398218131.db2.gz MPGIDGVBCDQVHU-BBRMVZONSA-N 2 2 246.398 2.994 10 0 BFAELP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000336895143 398218133 /nfs/dbraw/zinc/21/81/33/398218133.db2.gz MPGIDGVBCDQVHU-BBRMVZONSA-N 2 2 246.398 2.994 10 0 BFAELP C[C@H]([C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000306641743 361754368 /nfs/dbraw/zinc/75/43/68/361754368.db2.gz RGHZLSVRFICYCZ-HIFRSBDPSA-N 2 2 232.371 2.649 10 0 BFAELP C[C@H]([C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000306641743 361754370 /nfs/dbraw/zinc/75/43/70/361754370.db2.gz RGHZLSVRFICYCZ-HIFRSBDPSA-N 2 2 232.371 2.649 10 0 BFAELP C[C@@H]([C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000306641745 361754751 /nfs/dbraw/zinc/75/47/51/361754751.db2.gz RGHZLSVRFICYCZ-ZFWWWQNUSA-N 2 2 232.371 2.649 10 0 BFAELP C[C@@H]([C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000306641745 361754758 /nfs/dbraw/zinc/75/47/58/361754758.db2.gz RGHZLSVRFICYCZ-ZFWWWQNUSA-N 2 2 232.371 2.649 10 0 BFAELP Cc1cc(OC[C@@H]2CCC[NH2+]2)c2ccccc2[nH+]1 ZINC000051865904 178212066 /nfs/dbraw/zinc/21/20/66/178212066.db2.gz YAVZOVKCNZEQRJ-LBPRGKRZSA-N 2 2 242.322 2.674 10 0 BFAELP Cc1cc2ccccc2[nH+]c1NC1CC[NH2+]CC1 ZINC000063106288 178299033 /nfs/dbraw/zinc/29/90/33/178299033.db2.gz DOURGCFJQJWFBU-UHFFFAOYSA-N 2 2 241.338 2.707 10 0 BFAELP Cc1cc2[nH+]cn([C@@H](C)[C@@H](C)[NH3+])c2cc1C ZINC000041053918 178305632 /nfs/dbraw/zinc/30/56/32/178305632.db2.gz PNAGEWPHEMWKBZ-MNOVXSKESA-N 2 2 217.316 2.561 10 0 BFAELP CCC(CC)[N@H+](CCOC)C(CC)(CC)C[NH3+] ZINC000059002252 168374587 /nfs/dbraw/zinc/37/45/87/168374587.db2.gz FBEHUCAYPYEXAM-UHFFFAOYSA-N 2 2 244.423 2.641 10 0 BFAELP CCC(CC)[N@@H+](CCOC)C(CC)(CC)C[NH3+] ZINC000059002252 168374590 /nfs/dbraw/zinc/37/45/90/168374590.db2.gz FBEHUCAYPYEXAM-UHFFFAOYSA-N 2 2 244.423 2.641 10 0 BFAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037106353 538961687 /nfs/dbraw/zinc/96/16/87/538961687.db2.gz UNECYHHVMJCSFI-UPJWGTAASA-N 2 2 221.348 2.612 10 0 BFAELP CCC(CC)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000153917277 398338449 /nfs/dbraw/zinc/33/84/49/398338449.db2.gz KUBRCIASNVUTDH-AWEZNQCLSA-N 2 2 235.375 2.784 10 0 BFAELP CCC(CC)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000153917277 398338450 /nfs/dbraw/zinc/33/84/50/398338450.db2.gz KUBRCIASNVUTDH-AWEZNQCLSA-N 2 2 235.375 2.784 10 0 BFAELP C[NH+](C)[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000020260354 343140405 /nfs/dbraw/zinc/14/04/05/343140405.db2.gz OEDXASUOCKHCRL-HOTGVXAUSA-N 2 2 240.350 2.989 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000336886911 136376437 /nfs/dbraw/zinc/37/64/37/136376437.db2.gz CKLCNSZWEJTBJG-ZBFHGGJFSA-N 2 2 244.382 2.748 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000336886911 136376438 /nfs/dbraw/zinc/37/64/38/136376438.db2.gz CKLCNSZWEJTBJG-ZBFHGGJFSA-N 2 2 244.382 2.748 10 0 BFAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000022217173 343928103 /nfs/dbraw/zinc/92/81/03/343928103.db2.gz KFIKTEYLWCITJR-AWEZNQCLSA-N 2 2 220.360 2.645 10 0 BFAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000043816399 344236814 /nfs/dbraw/zinc/23/68/14/344236814.db2.gz QEUFIPZLWZAZHW-TZMCWYRMSA-N 2 2 220.360 2.505 10 0 BFAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000043816399 344236817 /nfs/dbraw/zinc/23/68/17/344236817.db2.gz QEUFIPZLWZAZHW-TZMCWYRMSA-N 2 2 220.360 2.505 10 0 BFAELP [NH3+]C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1Cl ZINC000044471693 345090174 /nfs/dbraw/zinc/09/01/74/345090174.db2.gz HEJLOBZLVLFIGG-SSDOTTSWSA-N 2 2 239.533 2.605 10 0 BFAELP Cc1cccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)c1 ZINC000049195170 179101069 /nfs/dbraw/zinc/10/10/69/179101069.db2.gz NSDWEALPCBURET-OAHLLOKOSA-N 2 2 234.387 2.671 10 0 BFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)c(Cl)c1 ZINC000250609415 538019032 /nfs/dbraw/zinc/01/90/32/538019032.db2.gz MFECWEYODQRINB-CABZTGNLSA-N 2 2 242.725 2.573 10 0 BFAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(F)c(Cl)c1 ZINC000250609415 538019035 /nfs/dbraw/zinc/01/90/35/538019035.db2.gz MFECWEYODQRINB-CABZTGNLSA-N 2 2 242.725 2.573 10 0 BFAELP Cc1ccc(C[C@@H]2CCC[C@@H]3C[NH2+]C[C@H]32)[nH+]c1 ZINC000616576672 349102767 /nfs/dbraw/zinc/10/27/67/349102767.db2.gz ATIARAKHHQOIMS-GUTXKFCHSA-N 2 2 230.355 2.568 10 0 BFAELP Cc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000019406199 180104417 /nfs/dbraw/zinc/10/44/17/180104417.db2.gz BVSDNUSGUCOHFP-WCQYABFASA-N 2 2 229.327 2.787 10 0 BFAELP Cc1[nH+]cn(-c2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000051927180 180286013 /nfs/dbraw/zinc/28/60/13/180286013.db2.gz FOCDVVXURQLPMX-SECBINFHSA-N 2 2 215.300 2.509 10 0 BFAELP COc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616624889 351092884 /nfs/dbraw/zinc/09/28/84/351092884.db2.gz SKMMACJIOQCFIP-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP COc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616624889 351092887 /nfs/dbraw/zinc/09/28/87/351092887.db2.gz SKMMACJIOQCFIP-OAHLLOKOSA-N 2 2 248.370 2.571 10 0 BFAELP CC(C)(C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616629158 351100362 /nfs/dbraw/zinc/10/03/62/351100362.db2.gz SNYAGOPXJNPQNJ-GFCCVEGCSA-N 2 2 221.348 2.709 10 0 BFAELP CC(C)(C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616629158 351100364 /nfs/dbraw/zinc/10/03/64/351100364.db2.gz SNYAGOPXJNPQNJ-GFCCVEGCSA-N 2 2 221.348 2.709 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394865092 351858087 /nfs/dbraw/zinc/85/80/87/351858087.db2.gz ONQSKTUWJVAGJQ-KBPBESRZSA-N 2 2 236.403 2.783 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394865092 351858091 /nfs/dbraw/zinc/85/80/91/351858091.db2.gz ONQSKTUWJVAGJQ-KBPBESRZSA-N 2 2 236.403 2.783 10 0 BFAELP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+](C)C ZINC000021962899 259426025 /nfs/dbraw/zinc/42/60/25/259426025.db2.gz OKFNZCAHKQXSNY-RDBSUJKOSA-N 2 2 226.408 2.598 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C(C)(C)C ZINC000336740721 352371995 /nfs/dbraw/zinc/37/19/95/352371995.db2.gz QJAFOOBXCWMYGD-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C(C)(C)C ZINC000336740721 352371997 /nfs/dbraw/zinc/37/19/97/352371997.db2.gz QJAFOOBXCWMYGD-CHWSQXEVSA-N 2 2 226.408 2.885 10 0 BFAELP Cc1cccc(NC[C@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000038029229 188116966 /nfs/dbraw/zinc/11/69/66/188116966.db2.gz OKNKNGVLFNGMRD-ZDUSSCGKSA-N 2 2 233.359 2.676 10 0 BFAELP CC(C)(C)[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000038086866 188117135 /nfs/dbraw/zinc/11/71/35/188117135.db2.gz DBEJNZJUYQXELB-KGLIPLIRSA-N 2 2 238.419 2.887 10 0 BFAELP CC(C)(C)[C@@H]1CCCC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000038086866 188117137 /nfs/dbraw/zinc/11/71/37/188117137.db2.gz DBEJNZJUYQXELB-KGLIPLIRSA-N 2 2 238.419 2.887 10 0 BFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000049195859 188124798 /nfs/dbraw/zinc/12/47/98/188124798.db2.gz SVPXBXXRPBFCTH-HOTGVXAUSA-N 2 2 246.398 2.850 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000040502039 358493169 /nfs/dbraw/zinc/49/31/69/358493169.db2.gz ZSZZYZHPEQTMRU-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000040502039 358493174 /nfs/dbraw/zinc/49/31/74/358493174.db2.gz ZSZZYZHPEQTMRU-HNNXBMFYSA-N 2 2 232.371 2.569 10 0 BFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000040502400 358494165 /nfs/dbraw/zinc/49/41/65/358494165.db2.gz MVDWHSGYAKSWAR-UONOGXRCSA-N 2 2 226.408 2.885 10 0 BFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000040502400 358494169 /nfs/dbraw/zinc/49/41/69/358494169.db2.gz MVDWHSGYAKSWAR-UONOGXRCSA-N 2 2 226.408 2.885 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H]1C ZINC000226365920 535305497 /nfs/dbraw/zinc/30/54/97/535305497.db2.gz JYKNXUGAVRMDFX-MJBXVCDLSA-N 2 2 226.408 2.741 10 0 BFAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC12CCC(CC1)[NH2+]2 ZINC000675056234 538477540 /nfs/dbraw/zinc/47/75/40/538477540.db2.gz MQWKLZHYHOCDCT-IWMBGFJWSA-N 2 2 222.376 2.534 10 0 BFAELP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)(C)C ZINC000389914724 357066621 /nfs/dbraw/zinc/06/66/21/357066621.db2.gz MFPBCCLOBBSZEK-NSHDSACASA-N 2 2 214.397 2.741 10 0 BFAELP CC[N@H+](CC[NH2+]CC1CCC(C)CC1)C1CC1 ZINC000231329580 357612518 /nfs/dbraw/zinc/61/25/18/357612518.db2.gz CFAWUCQTAPGITI-UHFFFAOYSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@@H+](CC[NH2+]CC1CCC(C)CC1)C1CC1 ZINC000231329580 357612524 /nfs/dbraw/zinc/61/25/24/357612524.db2.gz CFAWUCQTAPGITI-UHFFFAOYSA-N 2 2 238.419 2.887 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000217911665 134251043 /nfs/dbraw/zinc/25/10/43/134251043.db2.gz LBGKYFPAQSMDNP-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000217911665 134251044 /nfs/dbraw/zinc/25/10/44/134251044.db2.gz LBGKYFPAQSMDNP-MCIONIFRSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000052272779 358777571 /nfs/dbraw/zinc/77/75/71/358777571.db2.gz OZDUHUWYSUBWPJ-FVQBIDKESA-N 2 2 244.382 2.649 10 0 BFAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000052272779 358777574 /nfs/dbraw/zinc/77/75/74/358777574.db2.gz OZDUHUWYSUBWPJ-FVQBIDKESA-N 2 2 244.382 2.649 10 0 BFAELP [NH3+]C1([NH3+])CCC(CC2CCCCC2)CC1 ZINC000059215998 181332675 /nfs/dbraw/zinc/33/26/75/181332675.db2.gz DLYLVPHSKJVGLG-UHFFFAOYSA-N 2 2 210.365 2.761 10 0 BFAELP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000328227697 363861978 /nfs/dbraw/zinc/86/19/78/363861978.db2.gz CDZLKRSEOXIVBK-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000328227697 363861979 /nfs/dbraw/zinc/86/19/79/363861979.db2.gz CDZLKRSEOXIVBK-HZSPNIEDSA-N 2 2 224.392 2.639 10 0 BFAELP [NH3+]CCCCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000035412313 181375445 /nfs/dbraw/zinc/37/54/45/181375445.db2.gz KSHVGSBHZFETSL-UHFFFAOYSA-N 2 2 239.269 2.513 10 0 BFAELP [NH3+]CCCc1[nH]cc(-c2ccc(Cl)cc2)[nH+]1 ZINC000036874291 181386836 /nfs/dbraw/zinc/38/68/36/181386836.db2.gz ZDDQKESRMNWBQM-UHFFFAOYSA-N 2 2 235.718 2.621 10 0 BFAELP CCC1(C)CC[NH+](CC23CCC(CC2)[NH2+]3)CC1 ZINC000675056299 541462286 /nfs/dbraw/zinc/46/22/86/541462286.db2.gz OBYIFFYEAMYDOF-UHFFFAOYSA-N 2 2 236.403 2.783 10 0 BFAELP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000310031981 370291637 /nfs/dbraw/zinc/29/16/37/370291637.db2.gz RIOMBAJHJZKYJQ-CHWSQXEVSA-N 2 2 226.408 2.743 10 0 BFAELP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000310031981 370291640 /nfs/dbraw/zinc/29/16/40/370291640.db2.gz RIOMBAJHJZKYJQ-CHWSQXEVSA-N 2 2 226.408 2.743 10 0 BFAELP CCCCc1ccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071545178 169024797 /nfs/dbraw/zinc/02/47/97/169024797.db2.gz OEGZEPPCXMCHBC-DOMZBBRYSA-N 2 2 234.387 2.979 10 0 BFAELP CCC[N@H+](C)[C@@H](c1ccccc1F)[C@H]([NH3+])CC ZINC000043043116 169086666 /nfs/dbraw/zinc/08/66/66/169086666.db2.gz TVVQUVPTYFJSPX-KGLIPLIRSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[N@@H+](C)[C@@H](c1ccccc1F)[C@H]([NH3+])CC ZINC000043043116 169086668 /nfs/dbraw/zinc/08/66/68/169086668.db2.gz TVVQUVPTYFJSPX-KGLIPLIRSA-N 2 2 238.350 2.946 10 0 BFAELP CCC[NH+](CCC)[C@@H]1CCc2[nH+]c(N)ccc2C1 ZINC000013742651 169150539 /nfs/dbraw/zinc/15/05/39/169150539.db2.gz QDXLLGQCGFUDMI-CYBMUJFWSA-N 2 2 247.386 2.643 10 0 BFAELP CCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000037094657 169131652 /nfs/dbraw/zinc/13/16/52/169131652.db2.gz MGPZXBQJCSPYJF-HNNXBMFYSA-N 2 2 234.387 2.981 10 0 BFAELP CCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000037094657 169131655 /nfs/dbraw/zinc/13/16/55/169131655.db2.gz MGPZXBQJCSPYJF-HNNXBMFYSA-N 2 2 234.387 2.981 10 0 BFAELP CCC[NH+](CCC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000023069743 169152003 /nfs/dbraw/zinc/15/20/03/169152003.db2.gz FNQLWPSIKOVTMT-STQMWFEESA-N 2 2 212.381 2.768 10 0 BFAELP CCC[N@H+](CC[NH2+]C)Cc1cc(C)ccc1C ZINC000042404328 169159584 /nfs/dbraw/zinc/15/95/84/169159584.db2.gz YFGOXHYXMQTTLR-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CCC[N@@H+](CC[NH2+]C)Cc1cc(C)ccc1C ZINC000042404328 169159586 /nfs/dbraw/zinc/15/95/86/169159586.db2.gz YFGOXHYXMQTTLR-UHFFFAOYSA-N 2 2 234.387 2.735 10 0 BFAELP CCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000037483611 169256037 /nfs/dbraw/zinc/25/60/37/169256037.db2.gz KCIXMZSHNZTKTM-UHFFFAOYSA-N 2 2 238.400 2.712 10 0 BFAELP CCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096520 169262444 /nfs/dbraw/zinc/26/24/44/169262444.db2.gz RZJFXZSZAUPPGS-HNNXBMFYSA-N 2 2 232.371 2.823 10 0 BFAELP CCC[NH2+][C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000050270495 169288930 /nfs/dbraw/zinc/28/89/30/169288930.db2.gz WRKORAJEMVUEHJ-LLVKDONJSA-N 2 2 246.276 2.705 10 0 BFAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccncc1 ZINC000052480848 169263889 /nfs/dbraw/zinc/26/38/89/169263889.db2.gz ZLIQBOZXXKHQTB-OAHLLOKOSA-N 2 2 249.402 2.538 10 0 BFAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccncc1 ZINC000052480848 169263890 /nfs/dbraw/zinc/26/38/90/169263890.db2.gz ZLIQBOZXXKHQTB-OAHLLOKOSA-N 2 2 249.402 2.538 10 0 BFAELP CCC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000053648658 169264912 /nfs/dbraw/zinc/26/49/12/169264912.db2.gz PNQBYOLHNOPUNX-MRXNPFEDSA-N 2 2 246.398 2.959 10 0 BFAELP CCC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1C ZINC000053648658 169264913 /nfs/dbraw/zinc/26/49/13/169264913.db2.gz PNQBYOLHNOPUNX-MRXNPFEDSA-N 2 2 246.398 2.959 10 0 BFAELP CCC[NH2+][C@H]1CCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050911106 169291774 /nfs/dbraw/zinc/29/17/74/169291774.db2.gz QNPUUZRYRQHCAR-HOTGVXAUSA-N 2 2 244.382 2.923 10 0 BFAELP CCCNc1[nH+]cccc1Cn1cc[nH+]c1CC ZINC000052733945 169296418 /nfs/dbraw/zinc/29/64/18/169296418.db2.gz JUJYMNXWTBRLAK-UHFFFAOYSA-N 2 2 244.342 2.711 10 0 BFAELP CCCNc1[nH+]cccc1Cn1c[nH+]c(C)c1C ZINC000052733959 169296874 /nfs/dbraw/zinc/29/68/74/169296874.db2.gz MYSRRXYSIUNITF-UHFFFAOYSA-N 2 2 244.342 2.765 10 0 BFAELP CCC[C@@H]([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042781836 169392625 /nfs/dbraw/zinc/39/26/25/169392625.db2.gz CRZGSZHXXHLIBQ-WDEREUQCSA-N 2 2 238.400 2.795 10 0 BFAELP CCC[C@@H]([NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000042781836 169392627 /nfs/dbraw/zinc/39/26/27/169392627.db2.gz CRZGSZHXXHLIBQ-WDEREUQCSA-N 2 2 238.400 2.795 10 0 BFAELP C[C@@]1([NH2+]C2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089626 384361077 /nfs/dbraw/zinc/36/10/77/384361077.db2.gz FLRUYGUWJPZPQD-MRXNPFEDSA-N 2 2 244.382 2.793 10 0 BFAELP C[C@@]1([NH2+]C2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095089626 384361084 /nfs/dbraw/zinc/36/10/84/384361084.db2.gz FLRUYGUWJPZPQD-MRXNPFEDSA-N 2 2 244.382 2.793 10 0 BFAELP CC[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)C ZINC000310034181 384589399 /nfs/dbraw/zinc/58/93/99/384589399.db2.gz SITBOFNFHLAUBA-ZDUSSCGKSA-N 2 2 226.408 2.887 10 0 BFAELP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C(C)(C)C ZINC000310016733 384797321 /nfs/dbraw/zinc/79/73/21/384797321.db2.gz LEOSALFFZLVPEQ-DGCLKSJQSA-N 2 2 226.408 2.883 10 0 BFAELP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C(C)(C)C ZINC000310016733 384797325 /nfs/dbraw/zinc/79/73/25/384797325.db2.gz LEOSALFFZLVPEQ-DGCLKSJQSA-N 2 2 226.408 2.883 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000414346466 386135879 /nfs/dbraw/zinc/13/58/79/386135879.db2.gz PZOQJIDPAGHEQN-KKUMJFAQSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000414346466 386135887 /nfs/dbraw/zinc/13/58/87/386135887.db2.gz PZOQJIDPAGHEQN-KKUMJFAQSA-N 2 2 236.403 2.639 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]CC(CC)(CC)CC)C1 ZINC000391200007 386480594 /nfs/dbraw/zinc/48/05/94/386480594.db2.gz ZJNZPKBSSZPXQK-ZDUSSCGKSA-N 2 2 226.408 2.887 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CC)C1 ZINC000391200007 386480599 /nfs/dbraw/zinc/48/05/99/386480599.db2.gz ZJNZPKBSSZPXQK-ZDUSSCGKSA-N 2 2 226.408 2.887 10 0 BFAELP c1ccc([C@H]2CCCC[N@H+]2[C@@H]2CC[NH2+]C2)cc1 ZINC000575332131 386682700 /nfs/dbraw/zinc/68/27/00/386682700.db2.gz QQVJBDKBHYPDFV-HUUCEWRRSA-N 2 2 230.355 2.576 10 0 BFAELP c1ccc([C@H]2CCCC[N@@H+]2[C@@H]2CC[NH2+]C2)cc1 ZINC000575332131 386682706 /nfs/dbraw/zinc/68/27/06/386682706.db2.gz QQVJBDKBHYPDFV-HUUCEWRRSA-N 2 2 230.355 2.576 10 0 BFAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396520830 386772302 /nfs/dbraw/zinc/77/23/02/386772302.db2.gz CMRWCYPCVAWSNS-SNPRPXQTSA-N 2 2 232.371 2.868 10 0 BFAELP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396520793 386772588 /nfs/dbraw/zinc/77/25/88/386772588.db2.gz CLEWLRZCPCXNNC-GUTXKFCHSA-N 2 2 232.371 2.786 10 0 BFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1F ZINC000396578383 386782491 /nfs/dbraw/zinc/78/24/91/386782491.db2.gz ODYAKHZCVMQQQK-MJVIPROJSA-N 2 2 236.334 2.617 10 0 BFAELP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000400589121 387155096 /nfs/dbraw/zinc/15/50/96/387155096.db2.gz TUGHCYMCUWITDP-MXWKQRLJSA-N 2 2 224.373 2.539 10 0 BFAELP CCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000393784255 387875338 /nfs/dbraw/zinc/87/53/38/387875338.db2.gz SGJSQAGFUQWXOM-KGLIPLIRSA-N 2 2 226.408 2.887 10 0 BFAELP CCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000393784257 387875402 /nfs/dbraw/zinc/87/54/02/387875402.db2.gz SGJSQAGFUQWXOM-ZIAGYGMSSA-N 2 2 226.408 2.887 10 0 BFAELP CN(CC(C)(C)C[NH3+])c1[nH+]ccc2ccccc21 ZINC000168734658 387908394 /nfs/dbraw/zinc/90/83/94/387908394.db2.gz HQJPTYYIEKLOJX-UHFFFAOYSA-N 2 2 243.354 2.656 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C1CCC1 ZINC000322409092 388434217 /nfs/dbraw/zinc/43/42/17/388434217.db2.gz VIQJUIBZPFHAAB-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C1CCC1 ZINC000322409092 388434218 /nfs/dbraw/zinc/43/42/18/388434218.db2.gz VIQJUIBZPFHAAB-ZIAGYGMSSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@@H+]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000328341767 388616382 /nfs/dbraw/zinc/61/63/82/388616382.db2.gz LBUSHDABZYWGPC-CYBMUJFWSA-N 2 2 226.408 2.598 10 0 BFAELP CC[N@H+]1CC[C@@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000328341767 388616385 /nfs/dbraw/zinc/61/63/85/388616385.db2.gz LBUSHDABZYWGPC-CYBMUJFWSA-N 2 2 226.408 2.598 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000328514876 388644692 /nfs/dbraw/zinc/64/46/92/388644692.db2.gz PDNABGMQZLSQHF-CABCVRRESA-N 2 2 232.371 2.822 10 0 BFAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000328514876 388644693 /nfs/dbraw/zinc/64/46/93/388644693.db2.gz PDNABGMQZLSQHF-CABCVRRESA-N 2 2 232.371 2.822 10 0 BFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000248989550 388703919 /nfs/dbraw/zinc/70/39/19/388703919.db2.gz KULPIHFBIXWFEE-UMVBOHGHSA-N 2 2 238.419 2.883 10 0 BFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000248989550 388703922 /nfs/dbraw/zinc/70/39/22/388703922.db2.gz KULPIHFBIXWFEE-UMVBOHGHSA-N 2 2 238.419 2.883 10 0 BFAELP Cc1cc(CC[NH3+])ccc1[NH+]1CCC(C)CC1 ZINC000071536616 132393581 /nfs/dbraw/zinc/39/35/81/132393581.db2.gz JKYBMWPREVTGQL-UHFFFAOYSA-N 2 2 232.371 2.733 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000252372699 135087732 /nfs/dbraw/zinc/08/77/32/135087732.db2.gz LBGKYFPAQSMDNP-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000252372699 135087734 /nfs/dbraw/zinc/08/77/34/135087734.db2.gz LBGKYFPAQSMDNP-RDBSUJKOSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000164483450 135366506 /nfs/dbraw/zinc/36/65/06/135366506.db2.gz STVXYNJYIYATRW-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000164483450 135366507 /nfs/dbraw/zinc/36/65/07/135366507.db2.gz STVXYNJYIYATRW-OLZOCXBDSA-N 2 2 224.392 2.639 10 0 BFAELP C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000228268431 487601555 /nfs/dbraw/zinc/60/15/55/487601555.db2.gz FSFBARGFVDUZCB-GHMZBOCLSA-N 2 2 229.327 2.773 10 0 BFAELP C[C@H](C[C@H](C)[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228268280 487601459 /nfs/dbraw/zinc/60/14/59/487601459.db2.gz FVJKMCROIXCGLT-JGVFFNPUSA-N 2 2 247.264 2.638 10 0 BFAELP CC(C)C[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482247 167004991 /nfs/dbraw/zinc/00/49/91/167004991.db2.gz HQTQULSZAIGCGQ-HUUCEWRRSA-N 2 2 238.419 2.744 10 0 BFAELP CC(C)C[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482247 167004993 /nfs/dbraw/zinc/00/49/93/167004993.db2.gz HQTQULSZAIGCGQ-HUUCEWRRSA-N 2 2 238.419 2.744 10 0 BFAELP CC(C)C[NH2+]CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945545 167005627 /nfs/dbraw/zinc/00/56/27/167005627.db2.gz GORMETPAZREXCY-UHFFFAOYSA-N 2 2 246.398 2.680 10 0 BFAELP CC(C)C[NH2+]CC[N@H+]1CCCc2ccccc2C1 ZINC000062945545 167005629 /nfs/dbraw/zinc/00/56/29/167005629.db2.gz GORMETPAZREXCY-UHFFFAOYSA-N 2 2 246.398 2.680 10 0 BFAELP CC(C)[NH2+]C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373019 167114225 /nfs/dbraw/zinc/11/42/25/167114225.db2.gz LOXKBGOIUZEOFD-HOCLYGCPSA-N 2 2 246.398 2.862 10 0 BFAELP CC(C)[NH2+]C[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373019 167114227 /nfs/dbraw/zinc/11/42/27/167114227.db2.gz LOXKBGOIUZEOFD-HOCLYGCPSA-N 2 2 246.398 2.862 10 0 BFAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@H+](C)C2CC2)cc1 ZINC000037742735 167300902 /nfs/dbraw/zinc/30/09/02/167300902.db2.gz CQNNLHLHNINKOB-HNNXBMFYSA-N 2 2 248.370 2.568 10 0 BFAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@@H+](C)C2CC2)cc1 ZINC000037742735 167300905 /nfs/dbraw/zinc/30/09/05/167300905.db2.gz CQNNLHLHNINKOB-HNNXBMFYSA-N 2 2 248.370 2.568 10 0 BFAELP CC1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000063144913 168156483 /nfs/dbraw/zinc/15/64/83/168156483.db2.gz TZRXHIOEIDBYSZ-RUXDESIVSA-N 2 2 236.403 2.639 10 0 BFAELP CC1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000063144913 168156485 /nfs/dbraw/zinc/15/64/85/168156485.db2.gz TZRXHIOEIDBYSZ-RUXDESIVSA-N 2 2 236.403 2.639 10 0 BFAELP CC1CC[NH+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071351 168182705 /nfs/dbraw/zinc/18/27/05/168182705.db2.gz UBJKPKJUQQZTGU-KKUMJFAQSA-N 2 2 236.403 2.639 10 0 BFAELP C[C@H]([NH3+])[C@H](c1ccsc1)[NH+]1CCC(C)CC1 ZINC000043114940 168186597 /nfs/dbraw/zinc/18/65/97/168186597.db2.gz GAQDNUPNFHTWPS-WCQYABFASA-N 2 2 238.400 2.868 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328233388 170020608 /nfs/dbraw/zinc/02/06/08/170020608.db2.gz FNHKPEDIOJVROW-HOCLYGCPSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328233388 170020611 /nfs/dbraw/zinc/02/06/11/170020611.db2.gz FNHKPEDIOJVROW-HOCLYGCPSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328233389 170020880 /nfs/dbraw/zinc/02/08/80/170020880.db2.gz FNHKPEDIOJVROW-ZBFHGGJFSA-N 2 2 246.398 2.864 10 0 BFAELP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328233389 170020881 /nfs/dbraw/zinc/02/08/81/170020881.db2.gz FNHKPEDIOJVROW-ZBFHGGJFSA-N 2 2 246.398 2.864 10 0 BFAELP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(C)C ZINC000082647078 170140761 /nfs/dbraw/zinc/14/07/61/170140761.db2.gz JQXWNNOIXSDQBT-KBPBESRZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CCC(C)C ZINC000082647078 170140763 /nfs/dbraw/zinc/14/07/63/170140763.db2.gz JQXWNNOIXSDQBT-KBPBESRZSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806742 170150463 /nfs/dbraw/zinc/15/04/63/170150463.db2.gz GYCZXLOGOVYURE-KGLIPLIRSA-N 2 2 224.392 2.639 10 0 BFAELP CC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CCC(C)C ZINC000082647079 170158690 /nfs/dbraw/zinc/15/86/90/170158690.db2.gz JQXWNNOIXSDQBT-KGLIPLIRSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CCC(C)C ZINC000082647079 170158691 /nfs/dbraw/zinc/15/86/91/170158691.db2.gz JQXWNNOIXSDQBT-KGLIPLIRSA-N 2 2 226.408 2.885 10 0 BFAELP CC[NH2+][C@H](CC)Cn1c(CC)[nH+]c2ccccc21 ZINC000062807495 170160963 /nfs/dbraw/zinc/16/09/63/170160963.db2.gz BFEPHCTUEQLXOV-GFCCVEGCSA-N 2 2 245.370 2.987 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1C ZINC000035570446 170163031 /nfs/dbraw/zinc/16/30/31/170163031.db2.gz ULYHXWJWZXXXHR-CYBMUJFWSA-N 2 2 229.327 2.611 10 0 BFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(C)oc1C ZINC000035570007 170163140 /nfs/dbraw/zinc/16/31/40/170163140.db2.gz JUXHDRYQEVJBKQ-GFCCVEGCSA-N 2 2 233.315 2.513 10 0 BFAELP CC[C@@H]1CC[N@@H+](C2(C)CCCCC2)CC[NH2+]1 ZINC000045046668 171008282 /nfs/dbraw/zinc/00/82/82/171008282.db2.gz HIEXGWWQRDECBS-CYBMUJFWSA-N 2 2 224.392 2.783 10 0 BFAELP CC[C@@H]1CC[N@H+](C2(C)CCCCC2)CC[NH2+]1 ZINC000045046668 171008286 /nfs/dbraw/zinc/00/82/86/171008286.db2.gz HIEXGWWQRDECBS-CYBMUJFWSA-N 2 2 224.392 2.783 10 0 BFAELP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C)o2)CC[NH2+]1 ZINC000049662464 171013360 /nfs/dbraw/zinc/01/33/60/171013360.db2.gz AOEPVJKVHRMEPF-QWHCGFSZSA-N 2 2 236.359 2.723 10 0 BFAELP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C)o2)CC[NH2+]1 ZINC000049662464 171013361 /nfs/dbraw/zinc/01/33/61/171013361.db2.gz AOEPVJKVHRMEPF-QWHCGFSZSA-N 2 2 236.359 2.723 10 0 BFAELP CC[C@H](C)[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062622416 171317754 /nfs/dbraw/zinc/31/77/54/171317754.db2.gz CNFCQLXZRGMSPO-GOEBONIOSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H](C)[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062622416 171317756 /nfs/dbraw/zinc/31/77/56/171317756.db2.gz CNFCQLXZRGMSPO-GOEBONIOSA-N 2 2 246.398 2.692 10 0 BFAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)C1CCCCC1 ZINC000020073167 171372095 /nfs/dbraw/zinc/37/20/95/171372095.db2.gz WYFUEGCZJSUZPN-AAEUAGOBSA-N 2 2 212.381 2.624 10 0 BFAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)C1CCCCC1 ZINC000020073167 171372097 /nfs/dbraw/zinc/37/20/97/171372097.db2.gz WYFUEGCZJSUZPN-AAEUAGOBSA-N 2 2 212.381 2.624 10 0 BFAELP CCc1[nH+]c2ccccc2n1CC[NH2+]CC1CC1 ZINC000062103858 172013378 /nfs/dbraw/zinc/01/33/78/172013378.db2.gz CSAAMYISEJTPHP-UHFFFAOYSA-N 2 2 243.354 2.598 10 0 BFAELP CCn1c(C)[nH+]c2cc(CCCC[NH2+]C)ccc21 ZINC000107292652 172136867 /nfs/dbraw/zinc/13/68/67/172136867.db2.gz SIMWNGZZPPKALU-UHFFFAOYSA-N 2 2 245.370 2.907 10 0 BFAELP C[NH2+]CCCc1[nH]c(C)c(-c2ccc(C)cc2)[nH+]1 ZINC000037611622 173350322 /nfs/dbraw/zinc/35/03/22/173350322.db2.gz RRIYESZCAMFQQC-UHFFFAOYSA-N 2 2 243.354 2.846 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[N@H+](C)CC(C)(C)C ZINC000052570214 173378296 /nfs/dbraw/zinc/37/82/96/173378296.db2.gz BDLZDCOAKUPGRY-CQSZACIVSA-N 2 2 234.387 2.925 10 0 BFAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)CC(C)(C)C ZINC000052570214 173378298 /nfs/dbraw/zinc/37/82/98/173378298.db2.gz BDLZDCOAKUPGRY-CQSZACIVSA-N 2 2 234.387 2.925 10 0 BFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)[C@@H](C)C(C)C ZINC000051445158 173384179 /nfs/dbraw/zinc/38/41/79/173384179.db2.gz DETPTZZSPSBYBY-ZDUSSCGKSA-N 2 2 249.402 2.899 10 0 BFAELP COc1cccc([C@H](C[NH3+])[N@H+](C)C2CCCC2)c1 ZINC000037084099 175294426 /nfs/dbraw/zinc/29/44/26/175294426.db2.gz NRWPSIKPXDWZCS-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)C2CCCC2)c1 ZINC000037084099 175294428 /nfs/dbraw/zinc/29/44/28/175294428.db2.gz NRWPSIKPXDWZCS-HNNXBMFYSA-N 2 2 248.370 2.569 10 0 BFAELP C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357008 176033371 /nfs/dbraw/zinc/03/33/71/176033371.db2.gz OUIRSUAXTXHRPQ-RWMBFGLXSA-N 2 2 234.343 2.557 10 0 BFAELP C[C@@H](c1ccco1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357008 176033373 /nfs/dbraw/zinc/03/33/73/176033373.db2.gz OUIRSUAXTXHRPQ-RWMBFGLXSA-N 2 2 234.343 2.557 10 0 BFAELP C[C@@H]1CCC[C@@H]([N@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495853 176120255 /nfs/dbraw/zinc/12/02/55/176120255.db2.gz SFPDRFLAAYEILJ-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@H]([N@@H+](C)CC2([NH3+])CCCC2)C1 ZINC000042495853 176120256 /nfs/dbraw/zinc/12/02/56/176120256.db2.gz SFPDRFLAAYEILJ-CHWSQXEVSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@@H]1CCC[C@@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000019807711 176134016 /nfs/dbraw/zinc/13/40/16/176134016.db2.gz NRNSXKXMRDWFNJ-ZIAGYGMSSA-N 2 2 224.392 2.770 10 0 BFAELP C[C@@H]1CC[N@H+](CC[NH2+]CC2CCCC2)[C@H](C)C1 ZINC000053387248 176171337 /nfs/dbraw/zinc/17/13/37/176171337.db2.gz CBXJJOJNTZSMNE-ZIAGYGMSSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CCCC2)[C@H](C)C1 ZINC000053387248 176171338 /nfs/dbraw/zinc/17/13/38/176171338.db2.gz CBXJJOJNTZSMNE-ZIAGYGMSSA-N 2 2 238.419 2.887 10 0 BFAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000040717489 176180823 /nfs/dbraw/zinc/18/08/23/176180823.db2.gz JVBGWHUERZWBFP-MFKMUULPSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000040717489 176180826 /nfs/dbraw/zinc/18/08/26/176180826.db2.gz JVBGWHUERZWBFP-MFKMUULPSA-N 2 2 238.762 2.682 10 0 BFAELP C[C@@H]1C[C@@H](C)C[NH+](C2(C[NH3+])CCCCC2)C1 ZINC000019807805 176360962 /nfs/dbraw/zinc/36/09/62/176360962.db2.gz KSXHODWRQXAHCR-CHWSQXEVSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1C[C@@H](Oc2ccc3c[nH+]ccc3c2)CC[NH2+]1 ZINC000202372659 176383728 /nfs/dbraw/zinc/38/37/28/176383728.db2.gz VANWFDMUTAAJST-ABAIWWIYSA-N 2 2 242.322 2.754 10 0 BFAELP C[C@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@@H]1C[NH3+] ZINC000070177852 177096882 /nfs/dbraw/zinc/09/68/82/177096882.db2.gz TYONOIQAFLMFIA-CAQACHJTSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@@H]1C[NH3+] ZINC000070177852 177096884 /nfs/dbraw/zinc/09/68/84/177096884.db2.gz TYONOIQAFLMFIA-CAQACHJTSA-N 2 2 244.382 2.759 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431771 177117663 /nfs/dbraw/zinc/11/76/63/177117663.db2.gz FWRMQNKLZCXAFS-QNWHQSFQSA-N 2 2 210.365 2.519 10 0 BFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431771 177117666 /nfs/dbraw/zinc/11/76/66/177117666.db2.gz FWRMQNKLZCXAFS-QNWHQSFQSA-N 2 2 210.365 2.519 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCCC[C@@H]2C)C1 ZINC000019807649 177127966 /nfs/dbraw/zinc/12/79/66/177127966.db2.gz TWUUGBRECHNBKK-MELADBBJSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCCC[C@@H]2C)C1 ZINC000019807649 177127967 /nfs/dbraw/zinc/12/79/67/177127967.db2.gz TWUUGBRECHNBKK-MELADBBJSA-N 2 2 224.392 2.768 10 0 BFAELP C[C@H]1CCC[C@H](C)[NH+]1CC1([NH3+])CCCC1 ZINC000037479589 177131702 /nfs/dbraw/zinc/13/17/02/177131702.db2.gz SGQRSYXBQLQIAR-RYUDHWBXSA-N 2 2 210.365 2.521 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@@H+](CC2([NH3+])CCCCC2)C1 ZINC000020073597 177313081 /nfs/dbraw/zinc/31/30/81/177313081.db2.gz UJPJKCBFTPXZCU-BETUJISGSA-N 2 2 224.392 2.626 10 0 BFAELP C[C@@H]1C[C@H](C)C[N@H+](CC2([NH3+])CCCCC2)C1 ZINC000020073597 177313082 /nfs/dbraw/zinc/31/30/82/177313082.db2.gz UJPJKCBFTPXZCU-BETUJISGSA-N 2 2 224.392 2.626 10 0 BFAELP Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400347257 225039647 /nfs/dbraw/zinc/03/96/47/225039647.db2.gz AKYPURBDSGCVTO-GZBFAFLISA-N 2 2 232.371 2.786 10 0 BFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310133509 323128307 /nfs/dbraw/zinc/12/83/07/323128307.db2.gz ZWYVBGZIKGPVCJ-GBJTYRQASA-N 2 2 238.419 2.741 10 0 BFAELP CC(C)C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037167055 324387683 /nfs/dbraw/zinc/38/76/83/324387683.db2.gz BBZSBHUXTJUPDV-KGLIPLIRSA-N 2 2 228.424 2.987 10 0 BFAELP C[C@@H]1CC[N@H+](CC[NH2+]CC2CCC(C)CC2)C1 ZINC000677878696 488144577 /nfs/dbraw/zinc/14/45/77/488144577.db2.gz GVENWBLNWLCJDH-SHARSMKWSA-N 2 2 238.419 2.744 10 0 BFAELP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CCC(C)CC2)C1 ZINC000677878696 488144584 /nfs/dbraw/zinc/14/45/84/488144584.db2.gz GVENWBLNWLCJDH-SHARSMKWSA-N 2 2 238.419 2.744 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000250400740 535580913 /nfs/dbraw/zinc/58/09/13/535580913.db2.gz ZCSFTVWJLMAULH-IHRRRGAJSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000250400740 535580919 /nfs/dbraw/zinc/58/09/19/535580919.db2.gz ZCSFTVWJLMAULH-IHRRRGAJSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000250216905 535582563 /nfs/dbraw/zinc/58/25/63/535582563.db2.gz DHAFOQWRNRRYCL-MCIONIFRSA-N 2 2 238.419 2.885 10 0 BFAELP CC[N@H+]1CCC[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000250216905 535582566 /nfs/dbraw/zinc/58/25/66/535582566.db2.gz DHAFOQWRNRRYCL-MCIONIFRSA-N 2 2 238.419 2.885 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000179572725 536174711 /nfs/dbraw/zinc/17/47/11/536174711.db2.gz VAVHYMUTRDLGMI-CYBMUJFWSA-N 2 2 233.359 2.635 10 0 BFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000179572725 536174715 /nfs/dbraw/zinc/17/47/15/536174715.db2.gz VAVHYMUTRDLGMI-CYBMUJFWSA-N 2 2 233.359 2.635 10 0 BFAELP CCCCC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126427 582501129 /nfs/dbraw/zinc/50/11/29/582501129.db2.gz FRHFEFLAFIBHIY-HNNXBMFYSA-N 2 2 236.403 2.737 10 0 BFAELP CCCCC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126427 582501131 /nfs/dbraw/zinc/50/11/31/582501131.db2.gz FRHFEFLAFIBHIY-HNNXBMFYSA-N 2 2 236.403 2.737 10 0 BFAELP CC(C)[C@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757130914 582504470 /nfs/dbraw/zinc/50/44/70/582504470.db2.gz OLRCPBYNTHWDAS-ZFWWWQNUSA-N 2 2 236.403 2.591 10 0 BFAELP CC(C)[C@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757130914 582504472 /nfs/dbraw/zinc/50/44/72/582504472.db2.gz OLRCPBYNTHWDAS-ZFWWWQNUSA-N 2 2 236.403 2.591 10 0 BFAELP c1cn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC=CCC2)c[nH+]1 ZINC000249894074 583931176 /nfs/dbraw/zinc/93/11/76/583931176.db2.gz RDOMNKSWFSBVFX-CABCVRRESA-N 2 2 245.370 2.704 10 0 BFAELP c1cn(C[C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)c[nH+]1 ZINC000249894074 583931177 /nfs/dbraw/zinc/93/11/77/583931177.db2.gz RDOMNKSWFSBVFX-CABCVRRESA-N 2 2 245.370 2.704 10 0 BFAELP C[C@@H]1CC[NH2+][C@H](c2ccc(C3(C)CC3)cc2)[C@@H]1[NH3+] ZINC000757209323 586438549 /nfs/dbraw/zinc/43/85/49/586438549.db2.gz DOFKNLFDXRHLGH-KCPJHIHWSA-N 2 2 244.382 2.736 10 0 BFAELP C[C@@H]1C[NH2+][C@H](c2ccc(C3(C)CC3)cc2)[C@H]([NH3+])C1 ZINC000757216983 586441363 /nfs/dbraw/zinc/44/13/63/586441363.db2.gz RAJAOXCPAGRPOB-NILFDRSVSA-N 2 2 244.382 2.736 10 0 BFAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1cscc1C(F)F ZINC000757239551 586443867 /nfs/dbraw/zinc/44/38/67/586443867.db2.gz UNPVPRGVMKJQOL-XSSZXYGBSA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H]1C[NH2+][C@@H](c2cscc2C(F)F)[C@H]([NH3+])C1 ZINC000757238547 586444445 /nfs/dbraw/zinc/44/44/45/586444445.db2.gz SORYMMGGUKODFE-QUNWWBBNSA-N 2 2 246.326 2.684 10 0 BFAELP C[C@@H](C[NH2+]CCc1ccccc1)[NH+]1CCCCC1 ZINC000038028322 712799632 /nfs/dbraw/zinc/79/96/32/712799632.db2.gz QIEMTMOPLMBHCB-HNNXBMFYSA-N 2 2 246.398 2.693 10 0 BFAELP