smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc(N5CCCC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001164630894 719088519 /nfs/dbraw/zinc/08/85/19/719088519.db2.gz XHKCIENNSIHBJK-IRLDBZIGSA-N 2 1 362.521 3.783 20 0 FHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164793362 721491419 /nfs/dbraw/zinc/49/14/19/721491419.db2.gz QTUNMGDEWRNBRF-UHFFFAOYSA-N 2 1 361.493 3.839 20 0 FHADMP CCc1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(C)[nH+]1 ZINC000431513389 936356387 /nfs/dbraw/zinc/35/63/87/936356387.db2.gz UJINKBIIDAYIHT-UHFFFAOYSA-N 2 1 350.510 3.840 20 0 FHADMP CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000162225901 936364061 /nfs/dbraw/zinc/36/40/61/936364061.db2.gz PYXWXTJEBDZANN-CYBMUJFWSA-N 2 1 359.543 3.740 20 0 FHADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261815701 937098527 /nfs/dbraw/zinc/09/85/27/937098527.db2.gz WFOFOCICCCFXTN-FUNVUKJBSA-N 2 1 356.297 3.537 20 0 FHADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138578 937159574 /nfs/dbraw/zinc/15/95/74/937159574.db2.gz APQIFQGOQPJDFQ-HNNXBMFYSA-N 2 1 371.447 3.602 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546182 927423371 /nfs/dbraw/zinc/42/33/71/927423371.db2.gz KBQSWVNGLLYROV-GDBMZVCRSA-N 2 1 365.315 3.927 20 0 FHADMP CS[C@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](SC)C3)ccc2F)C1 ZINC000579797378 927542406 /nfs/dbraw/zinc/54/24/06/927542406.db2.gz WBHDJYMDBPDIAR-IRXDYDNUSA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](SC)C3)c2)C1 ZINC000579797378 927542410 /nfs/dbraw/zinc/54/24/10/927542410.db2.gz WBHDJYMDBPDIAR-IRXDYDNUSA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](SC)C3)c2)C1 ZINC000579797378 927542415 /nfs/dbraw/zinc/54/24/15/927542415.db2.gz WBHDJYMDBPDIAR-IRXDYDNUSA-N 2 1 354.560 3.700 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000579811379 927757455 /nfs/dbraw/zinc/75/74/55/927757455.db2.gz BRCKACKGYWGEOK-FQEVSTJZSA-N 2 1 372.557 3.961 20 0 FHADMP CSC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430192050 927763485 /nfs/dbraw/zinc/76/34/85/927763485.db2.gz NMFGBEAMBAAWBF-SFHVURJKSA-N 2 1 361.599 3.792 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274740656 927764600 /nfs/dbraw/zinc/76/46/00/927764600.db2.gz ADYHWSLUQWJJCK-PXKOIKFJSA-N 2 1 362.583 3.566 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274740656 927764627 /nfs/dbraw/zinc/76/46/27/927764627.db2.gz ADYHWSLUQWJJCK-PXKOIKFJSA-N 2 1 362.583 3.566 20 0 FHADMP CC(C)[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606000 928239883 /nfs/dbraw/zinc/23/98/83/928239883.db2.gz DAMFBUCCMVIGOY-OALUTQOASA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606000 928239894 /nfs/dbraw/zinc/23/98/94/928239894.db2.gz DAMFBUCCMVIGOY-OALUTQOASA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606000 928239907 /nfs/dbraw/zinc/23/99/07/928239907.db2.gz DAMFBUCCMVIGOY-OALUTQOASA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606000 928239915 /nfs/dbraw/zinc/23/99/15/928239915.db2.gz DAMFBUCCMVIGOY-OALUTQOASA-N 2 1 367.578 3.828 20 0 FHADMP Cc1cc(N2CCC([N@@H+](C)CCCCC3CCOCC3)CC2)nc(C)n1 ZINC000375595946 928419541 /nfs/dbraw/zinc/41/95/41/928419541.db2.gz ISYHWSSTWKYOOS-UHFFFAOYSA-N 2 1 360.546 3.591 20 0 FHADMP Cc1cc(N2CCC([N@H+](C)CCCCC3CCOCC3)CC2)nc(C)[nH+]1 ZINC000375595946 928419550 /nfs/dbraw/zinc/41/95/50/928419550.db2.gz ISYHWSSTWKYOOS-UHFFFAOYSA-N 2 1 360.546 3.591 20 0 FHADMP Cc1cc(N2CCC([N@@H+](C)CCCCC3CCOCC3)CC2)nc(C)[nH+]1 ZINC000375595946 928419559 /nfs/dbraw/zinc/41/95/59/928419559.db2.gz ISYHWSSTWKYOOS-UHFFFAOYSA-N 2 1 360.546 3.591 20 0 FHADMP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894906 928906712 /nfs/dbraw/zinc/90/67/12/928906712.db2.gz WZNMPYTYLCYFFO-FZCLSBEQSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894906 928906727 /nfs/dbraw/zinc/90/67/27/928906727.db2.gz WZNMPYTYLCYFFO-FZCLSBEQSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894906 928906736 /nfs/dbraw/zinc/90/67/36/928906736.db2.gz WZNMPYTYLCYFFO-FZCLSBEQSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894906 928906749 /nfs/dbraw/zinc/90/67/49/928906749.db2.gz WZNMPYTYLCYFFO-FZCLSBEQSA-N 2 1 355.448 3.812 20 0 FHADMP CCC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000179658549 928914711 /nfs/dbraw/zinc/91/47/11/928914711.db2.gz SIVMGSPKCCESES-JOCHJYFZSA-N 2 1 371.569 3.620 20 0 FHADMP C[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000547740531 929169672 /nfs/dbraw/zinc/16/96/72/929169672.db2.gz CBWNALJRXIGAPB-QGQLOYOPSA-N 2 1 369.597 3.918 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000037318593 929300110 /nfs/dbraw/zinc/30/01/10/929300110.db2.gz RZDRCWAUQGMPAR-GFCCVEGCSA-N 2 1 353.304 3.735 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1)CC(C)C ZINC000583290310 937322735 /nfs/dbraw/zinc/32/27/35/937322735.db2.gz RCPFWVQTTPSONF-UHFFFAOYSA-N 2 1 352.592 3.789 20 0 FHADMP CC(=O)OC(C)(C)CCC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209155192 929358515 /nfs/dbraw/zinc/35/85/15/929358515.db2.gz IHJUDJQDHFFKLY-UHFFFAOYSA-N 2 1 360.542 3.952 20 0 FHADMP CC1(C)CC(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC(C)(C)[NH2+]1 ZINC000180157326 929409511 /nfs/dbraw/zinc/40/95/11/929409511.db2.gz IAQWBIPVEBNOGE-SESVDKBCSA-N 2 1 355.570 3.796 20 0 FHADMP CC1(C)CC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC(C)(C)[NH2+]1 ZINC000180157326 929409515 /nfs/dbraw/zinc/40/95/15/929409515.db2.gz IAQWBIPVEBNOGE-SESVDKBCSA-N 3 1 355.570 3.796 20 0 FHADMP CC1(C)CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC(C)(C)[NH2+]1 ZINC000180157326 929409521 /nfs/dbraw/zinc/40/95/21/929409521.db2.gz IAQWBIPVEBNOGE-SESVDKBCSA-N 3 1 355.570 3.796 20 0 FHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750468 937333414 /nfs/dbraw/zinc/33/34/14/937333414.db2.gz AEJIGYJYMGLZPA-ILCZHQDMSA-N 2 1 368.443 3.952 20 0 FHADMP CC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000017313545 929590138 /nfs/dbraw/zinc/59/01/38/929590138.db2.gz DTXZJVSLQGTAPD-UHFFFAOYSA-N 2 1 367.493 3.521 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125917439 937344086 /nfs/dbraw/zinc/34/40/86/937344086.db2.gz DXIZMHSCWRVKFB-NRFANRHFSA-N 2 1 359.477 3.848 20 0 FHADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583321998 937349136 /nfs/dbraw/zinc/34/91/36/937349136.db2.gz OSVQMZJZBDKWOS-GJZGRUSLSA-N 2 1 374.326 3.819 20 0 FHADMP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691392 929808135 /nfs/dbraw/zinc/80/81/35/929808135.db2.gz CCGXLKLCEAIWMP-KIHHCIJBSA-N 2 1 364.533 3.765 20 0 FHADMP C[N@H+]1Cc2ccccc2[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692373 929811137 /nfs/dbraw/zinc/81/11/37/929811137.db2.gz PPWDIUCHOHHUDO-YCSHWKNNSA-N 2 1 361.533 3.958 20 0 FHADMP C[N@@H+]1Cc2ccccc2[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692373 929811141 /nfs/dbraw/zinc/81/11/41/929811141.db2.gz PPWDIUCHOHHUDO-YCSHWKNNSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692373 929811145 /nfs/dbraw/zinc/81/11/45/929811145.db2.gz PPWDIUCHOHHUDO-YCSHWKNNSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692373 929811146 /nfs/dbraw/zinc/81/11/46/929811146.db2.gz PPWDIUCHOHHUDO-YCSHWKNNSA-N 2 1 361.533 3.958 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608094 929939356 /nfs/dbraw/zinc/93/93/56/929939356.db2.gz ZFALOEFGVDQNMX-UGKGYDQZSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608094 929939364 /nfs/dbraw/zinc/93/93/64/929939364.db2.gz ZFALOEFGVDQNMX-UGKGYDQZSA-N 2 1 360.505 3.873 20 0 FHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124490573 930004607 /nfs/dbraw/zinc/00/46/07/930004607.db2.gz MTJFXZIMVLJQLW-OAHLLOKOSA-N 2 1 366.619 3.673 20 0 FHADMP CC[N@@H+](CCC(F)(F)F)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092753796 937384332 /nfs/dbraw/zinc/38/43/32/937384332.db2.gz SBUSGRPLWDLODQ-UHFFFAOYSA-N 2 1 357.464 3.991 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000583376415 937392335 /nfs/dbraw/zinc/39/23/35/937392335.db2.gz MUYQUTFIIKBCJK-HTAPYJJXSA-N 2 1 356.485 3.544 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCCC2 ZINC000647289034 937394884 /nfs/dbraw/zinc/39/48/84/937394884.db2.gz ZDQYFQWNAIKRQU-GOSISDBHSA-N 2 1 368.525 3.545 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064612 930267699 /nfs/dbraw/zinc/26/76/99/930267699.db2.gz KMNLTUZGOALLFX-SIKLNZKXSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064612 930267705 /nfs/dbraw/zinc/26/77/05/930267705.db2.gz KMNLTUZGOALLFX-SIKLNZKXSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064612 930267710 /nfs/dbraw/zinc/26/77/10/930267710.db2.gz KMNLTUZGOALLFX-SIKLNZKXSA-N 2 1 371.569 3.668 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)c(C)c3)CC2)CC1 ZINC000655340123 930486701 /nfs/dbraw/zinc/48/67/01/930486701.db2.gz WUVYRFPRBKASSL-UHFFFAOYSA-N 2 1 363.933 3.783 20 0 FHADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000580338834 930524349 /nfs/dbraw/zinc/52/43/49/930524349.db2.gz CUBGTGKEIHKFGB-LEWJYISDSA-N 2 1 372.553 3.857 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125181899 930584592 /nfs/dbraw/zinc/58/45/92/930584592.db2.gz DBGBEQNCBPBNDT-JBYIUTFZSA-N 2 1 362.521 3.903 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040120 930631162 /nfs/dbraw/zinc/63/11/62/930631162.db2.gz RMAOZGFBKZCLPP-FGCOXFRFSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040120 930631170 /nfs/dbraw/zinc/63/11/70/930631170.db2.gz RMAOZGFBKZCLPP-FGCOXFRFSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398040120 930631178 /nfs/dbraw/zinc/63/11/78/930631178.db2.gz RMAOZGFBKZCLPP-FGCOXFRFSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398040120 930631181 /nfs/dbraw/zinc/63/11/81/930631181.db2.gz RMAOZGFBKZCLPP-FGCOXFRFSA-N 2 1 363.549 3.761 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C[C@@H]1c1ccccc1 ZINC000580414395 930652895 /nfs/dbraw/zinc/65/28/95/930652895.db2.gz SFDQDNPKRIFZJB-VQTJNVASSA-N 2 1 352.478 3.773 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C[C@@H]1c1ccccc1 ZINC000580414395 930652901 /nfs/dbraw/zinc/65/29/01/930652901.db2.gz SFDQDNPKRIFZJB-VQTJNVASSA-N 2 1 352.478 3.773 20 0 FHADMP c1sc(COc2ccccc2)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580445042 930683650 /nfs/dbraw/zinc/68/36/50/930683650.db2.gz GKEQHDOYAPAHIK-KRWDZBQOSA-N 2 1 357.523 3.544 20 0 FHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252476466 930810336 /nfs/dbraw/zinc/81/03/36/930810336.db2.gz YOCQIGFQYWNCAR-CFVMTHIKSA-N 2 1 353.304 3.735 20 0 FHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc(C)c1F ZINC001143380761 930987384 /nfs/dbraw/zinc/98/73/84/930987384.db2.gz UHLXPOJNSPNESD-IFMALSPDSA-N 2 1 360.517 3.623 20 0 FHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc(C)c1F ZINC001143380761 930987391 /nfs/dbraw/zinc/98/73/91/930987391.db2.gz UHLXPOJNSPNESD-IFMALSPDSA-N 2 1 360.517 3.623 20 0 FHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc(C)c1F ZINC001143380761 930987399 /nfs/dbraw/zinc/98/73/99/930987399.db2.gz UHLXPOJNSPNESD-IFMALSPDSA-N 2 1 360.517 3.623 20 0 FHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc(C)c1F ZINC001143380761 930987402 /nfs/dbraw/zinc/98/74/02/930987402.db2.gz UHLXPOJNSPNESD-IFMALSPDSA-N 2 1 360.517 3.623 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1)C1CC[NH+](C)CC1 ZINC000656272527 931025199 /nfs/dbraw/zinc/02/51/99/931025199.db2.gz WSMFAULCKWRNHF-JOCHJYFZSA-N 2 1 371.569 3.751 20 0 FHADMP COc1cc(F)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000580778137 931133029 /nfs/dbraw/zinc/13/30/29/931133029.db2.gz QWJMLXJWTQGTOE-UHFFFAOYSA-N 2 1 360.473 3.973 20 0 FHADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126836386 931243896 /nfs/dbraw/zinc/24/38/96/931243896.db2.gz IZSNNROYRDLANF-WOJBJXKFSA-N 2 1 358.551 3.807 20 0 FHADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126836386 931243903 /nfs/dbraw/zinc/24/39/03/931243903.db2.gz IZSNNROYRDLANF-WOJBJXKFSA-N 2 1 358.551 3.807 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000580836775 931249504 /nfs/dbraw/zinc/24/95/04/931249504.db2.gz KETKJVATPBMOKQ-ZWKOTPCHSA-N 2 1 357.542 3.823 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405102 931593270 /nfs/dbraw/zinc/59/32/70/931593270.db2.gz HVKVWXLCBCZXQI-JFCAZQBUSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405102 931593275 /nfs/dbraw/zinc/59/32/75/931593275.db2.gz HVKVWXLCBCZXQI-JFCAZQBUSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405102 931593283 /nfs/dbraw/zinc/59/32/83/931593283.db2.gz HVKVWXLCBCZXQI-JFCAZQBUSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405102 931593288 /nfs/dbraw/zinc/59/32/88/931593288.db2.gz HVKVWXLCBCZXQI-JFCAZQBUSA-N 2 1 354.538 3.788 20 0 FHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@H]3C[N@@H+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404507 931593713 /nfs/dbraw/zinc/59/37/13/931593713.db2.gz ZMTGICAUYSFDFN-KHUIQGCPSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4CC[C@H]3[C@H]3C[NH+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404507 931593718 /nfs/dbraw/zinc/59/37/18/931593718.db2.gz ZMTGICAUYSFDFN-KHUIQGCPSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@@H+]3C[C@@H]4CC[C@H]3[C@H]3C[NH+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404507 931593722 /nfs/dbraw/zinc/59/37/22/931593722.db2.gz ZMTGICAUYSFDFN-KHUIQGCPSA-N 2 1 372.516 3.905 20 0 FHADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1C[NH3+] ZINC000430559322 931844684 /nfs/dbraw/zinc/84/46/84/931844684.db2.gz WXLWPHKHXCWBMQ-DYESRHJHSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1C[NH3+] ZINC000430559322 931844690 /nfs/dbraw/zinc/84/46/90/931844690.db2.gz WXLWPHKHXCWBMQ-DYESRHJHSA-N 2 1 351.494 3.741 20 0 FHADMP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000558429406 931877908 /nfs/dbraw/zinc/87/79/08/931877908.db2.gz WMQVIMKOAGHHPX-QHCPKHFHSA-N 2 1 358.489 3.952 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569253 931905655 /nfs/dbraw/zinc/90/56/55/931905655.db2.gz HFTASEGPTCIBKM-ROUUACIJSA-N 2 1 367.493 3.867 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1F ZINC000558461309 931909815 /nfs/dbraw/zinc/90/98/15/931909815.db2.gz CSMGVXDBQKECFH-SFHVURJKSA-N 2 1 373.859 3.666 20 0 FHADMP CC(C)[C@@](C)(CN)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583045 931950681 /nfs/dbraw/zinc/95/06/81/931950681.db2.gz RIVFJVJADNTMHP-DENIHFKCSA-N 2 1 359.558 3.611 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CCC([NH2+]CC4CC4)CC3)n2)cc1F ZINC000430582537 931953343 /nfs/dbraw/zinc/95/33/43/931953343.db2.gz LEEUBFLPKYTLOG-UHFFFAOYSA-N 2 1 372.488 3.581 20 0 FHADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000317563849 932123976 /nfs/dbraw/zinc/12/39/76/932123976.db2.gz VNUYYKICLNHEIL-LSDHHAIUSA-N 2 1 360.299 3.714 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000581515981 932192820 /nfs/dbraw/zinc/19/28/20/932192820.db2.gz RJDWDDAYAQSBQA-QHCPKHFHSA-N 2 1 366.553 3.597 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784030 932419962 /nfs/dbraw/zinc/41/99/62/932419962.db2.gz CGURDIHNPCMQLZ-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631240 932422892 /nfs/dbraw/zinc/42/28/92/932422892.db2.gz UAPKRKQNINVLRE-ROUUACIJSA-N 2 1 351.494 3.931 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631240 932422895 /nfs/dbraw/zinc/42/28/95/932422895.db2.gz UAPKRKQNINVLRE-ROUUACIJSA-N 2 1 351.494 3.931 20 0 FHADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000581662042 932438919 /nfs/dbraw/zinc/43/89/19/932438919.db2.gz RCBTUADJIMJXRS-OAHLLOKOSA-N 2 1 368.312 3.819 20 0 FHADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000471777470 932881712 /nfs/dbraw/zinc/88/17/12/932881712.db2.gz AIMCAMZPYPNITK-NRFANRHFSA-N 2 1 353.441 3.684 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829933 933072374 /nfs/dbraw/zinc/07/23/74/933072374.db2.gz GVBXGGMBGORFHQ-ROUUACIJSA-N 2 1 358.448 3.628 20 0 FHADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000581951972 933104921 /nfs/dbraw/zinc/10/49/21/933104921.db2.gz UFMKKTILXTUQEL-INIZCTEOSA-N 2 1 364.287 3.571 20 0 FHADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000581951972 933104929 /nfs/dbraw/zinc/10/49/29/933104929.db2.gz UFMKKTILXTUQEL-INIZCTEOSA-N 2 1 364.287 3.571 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740115 933191208 /nfs/dbraw/zinc/19/12/08/933191208.db2.gz JCKBCTFQSUBPCU-DYESRHJHSA-N 2 1 351.494 3.600 20 0 FHADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000430761326 933215335 /nfs/dbraw/zinc/21/53/35/933215335.db2.gz VMWZMEUSTVHZON-OAQYLSRUSA-N 2 1 367.493 3.566 20 0 FHADMP COc1cccc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430914995 933410251 /nfs/dbraw/zinc/41/02/51/933410251.db2.gz BCHLUTDHBIFFJV-LJQANCHMSA-N 2 1 373.585 3.884 20 0 FHADMP COc1cccc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430914995 933410256 /nfs/dbraw/zinc/41/02/56/933410256.db2.gz BCHLUTDHBIFFJV-LJQANCHMSA-N 3 1 373.585 3.884 20 0 FHADMP COc1cccc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430914995 933410257 /nfs/dbraw/zinc/41/02/57/933410257.db2.gz BCHLUTDHBIFFJV-LJQANCHMSA-N 3 1 373.585 3.884 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000510696218 933435892 /nfs/dbraw/zinc/43/58/92/933435892.db2.gz QQXANDJDSHVCAF-JTSKRJEESA-N 2 1 374.475 3.513 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000510696218 933435894 /nfs/dbraw/zinc/43/58/94/933435894.db2.gz QQXANDJDSHVCAF-JTSKRJEESA-N 2 1 374.475 3.513 20 0 FHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000644907175 933735338 /nfs/dbraw/zinc/73/53/38/933735338.db2.gz PRQGQLYUUBKHOF-NHCUHLMSSA-N 2 1 374.912 3.588 20 0 FHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000644907175 933735344 /nfs/dbraw/zinc/73/53/44/933735344.db2.gz PRQGQLYUUBKHOF-NHCUHLMSSA-N 2 1 374.912 3.588 20 0 FHADMP CC(C)(N)c1noc(CN2CCC(c3cccc4ccccc43)CC2)n1 ZINC000431079431 933800173 /nfs/dbraw/zinc/80/01/73/933800173.db2.gz YEVFJPPFSMXICQ-UHFFFAOYSA-N 2 1 350.466 3.796 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000092165900 933970390 /nfs/dbraw/zinc/97/03/90/933970390.db2.gz DNXUBRBGZQWLJT-UHFFFAOYSA-N 2 1 356.457 3.993 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000092165900 933970400 /nfs/dbraw/zinc/97/04/00/933970400.db2.gz DNXUBRBGZQWLJT-UHFFFAOYSA-N 2 1 356.457 3.993 20 0 FHADMP COc1sc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Br ZINC000092381020 934031765 /nfs/dbraw/zinc/03/17/65/934031765.db2.gz HHXZPZGRMGRDKC-UHFFFAOYSA-N 2 1 361.349 3.683 20 0 FHADMP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587898 934099181 /nfs/dbraw/zinc/09/91/81/934099181.db2.gz DXAAUYJUDYUZAT-PZJWPPBQSA-N 2 1 367.541 3.662 20 0 FHADMP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587898 934099191 /nfs/dbraw/zinc/09/91/91/934099191.db2.gz DXAAUYJUDYUZAT-PZJWPPBQSA-N 2 1 367.541 3.662 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587898 934099204 /nfs/dbraw/zinc/09/92/04/934099204.db2.gz DXAAUYJUDYUZAT-PZJWPPBQSA-N 2 1 367.541 3.662 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587898 934099210 /nfs/dbraw/zinc/09/92/10/934099210.db2.gz DXAAUYJUDYUZAT-PZJWPPBQSA-N 2 1 367.541 3.662 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@H](C)O1 ZINC000092587526 934099271 /nfs/dbraw/zinc/09/92/71/934099271.db2.gz XANZVZBQCWZZAZ-IYBDPMFKSA-N 2 1 363.571 3.732 20 0 FHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]21 ZINC000262095764 934167281 /nfs/dbraw/zinc/16/72/81/934167281.db2.gz IJBOUKDTAUPCJG-XGWLTEMNSA-N 2 1 360.299 3.557 20 0 FHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742401 934169575 /nfs/dbraw/zinc/16/95/75/934169575.db2.gz NGQGFFFLWBYQTH-SFHVURJKSA-N 2 1 358.505 3.792 20 0 FHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742401 934169578 /nfs/dbraw/zinc/16/95/78/934169578.db2.gz NGQGFFFLWBYQTH-SFHVURJKSA-N 2 1 358.505 3.792 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742401 934169583 /nfs/dbraw/zinc/16/95/83/934169583.db2.gz NGQGFFFLWBYQTH-SFHVURJKSA-N 2 1 358.505 3.792 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742401 934169589 /nfs/dbraw/zinc/16/95/89/934169589.db2.gz NGQGFFFLWBYQTH-SFHVURJKSA-N 2 1 358.505 3.792 20 0 FHADMP Cc1cc(C)n2c(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cnc2n1 ZINC000093844550 934180134 /nfs/dbraw/zinc/18/01/34/934180134.db2.gz OEQPARZGPIMFKT-SFHVURJKSA-N 2 1 369.557 3.823 20 0 FHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976207 934245395 /nfs/dbraw/zinc/24/53/95/934245395.db2.gz FLLBKWSHTCKRKT-HKUYNNGSSA-N 2 1 360.542 3.997 20 0 FHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976207 934245405 /nfs/dbraw/zinc/24/54/05/934245405.db2.gz FLLBKWSHTCKRKT-HKUYNNGSSA-N 2 1 360.542 3.997 20 0 FHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000535682234 934274251 /nfs/dbraw/zinc/27/42/51/934274251.db2.gz UPAFXSQNYPNCAB-UHFFFAOYSA-N 2 1 351.494 3.578 20 0 FHADMP C(CC[N@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000535724123 934311362 /nfs/dbraw/zinc/31/13/62/934311362.db2.gz JLEAAJXKXWLQRF-FGZHOGPDSA-N 2 1 364.574 3.552 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000535806452 934412774 /nfs/dbraw/zinc/41/27/74/934412774.db2.gz WPLBAGLODGWZAR-JKSUJKDBSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000535806452 934412777 /nfs/dbraw/zinc/41/27/77/934412777.db2.gz WPLBAGLODGWZAR-JKSUJKDBSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000535806452 934412781 /nfs/dbraw/zinc/41/27/81/934412781.db2.gz WPLBAGLODGWZAR-JKSUJKDBSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000535806452 934412784 /nfs/dbraw/zinc/41/27/84/934412784.db2.gz WPLBAGLODGWZAR-JKSUJKDBSA-N 2 1 372.431 3.552 20 0 FHADMP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535807737 934413774 /nfs/dbraw/zinc/41/37/74/934413774.db2.gz BEAMWHXXHFCXGS-KXBFYZLASA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535807737 934413777 /nfs/dbraw/zinc/41/37/77/934413777.db2.gz BEAMWHXXHFCXGS-KXBFYZLASA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535807737 934413780 /nfs/dbraw/zinc/41/37/80/934413780.db2.gz BEAMWHXXHFCXGS-KXBFYZLASA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535807737 934413783 /nfs/dbraw/zinc/41/37/83/934413783.db2.gz BEAMWHXXHFCXGS-KXBFYZLASA-N 2 1 354.523 3.654 20 0 FHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825755 934500507 /nfs/dbraw/zinc/50/05/07/934500507.db2.gz MLSILPILMCSJDI-KCXAZCMYSA-N 2 1 372.294 3.815 20 0 FHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825755 934500515 /nfs/dbraw/zinc/50/05/15/934500515.db2.gz MLSILPILMCSJDI-KCXAZCMYSA-N 2 1 372.294 3.815 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000535820006 934511399 /nfs/dbraw/zinc/51/13/99/934511399.db2.gz WMZHZKUWDAQYDY-QFIPXVFZSA-N 2 1 365.521 3.956 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000535820006 934511405 /nfs/dbraw/zinc/51/14/05/934511405.db2.gz WMZHZKUWDAQYDY-QFIPXVFZSA-N 2 1 365.521 3.956 20 0 FHADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535833985 934571980 /nfs/dbraw/zinc/57/19/80/934571980.db2.gz DQRGLZKXTXRKOQ-INIZCTEOSA-N 2 1 365.587 3.715 20 0 FHADMP C[C@H](C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000548501518 934627043 /nfs/dbraw/zinc/62/70/43/934627043.db2.gz DQDWYGFZXARRLN-AZUAARDMSA-N 2 1 357.567 3.505 20 0 FHADMP C[C@@H](C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000548501521 934627677 /nfs/dbraw/zinc/62/76/77/934627677.db2.gz DQDWYGFZXARRLN-UYAOXDASSA-N 2 1 357.567 3.505 20 0 FHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090456594 934642941 /nfs/dbraw/zinc/64/29/41/934642941.db2.gz GEEIXEIJCUZLBL-VHDGCEQUSA-N 2 1 355.295 3.736 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000181670602 934797491 /nfs/dbraw/zinc/79/74/91/934797491.db2.gz LAYOLGSQJDATEP-UZKOGDIHSA-N 2 1 371.569 3.839 20 0 FHADMP CCC[N@H+](Cc1nccn1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000892049568 934891140 /nfs/dbraw/zinc/89/11/40/934891140.db2.gz SSMJULHJFNIWEX-UHFFFAOYSA-N 2 1 368.529 3.506 20 0 FHADMP CCC[N@@H+](Cc1nccn1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000892049568 934891147 /nfs/dbraw/zinc/89/11/47/934891147.db2.gz SSMJULHJFNIWEX-UHFFFAOYSA-N 2 1 368.529 3.506 20 0 FHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887222 934968571 /nfs/dbraw/zinc/96/85/71/934968571.db2.gz XFNZOLVZNVVVIX-LPHOPBHVSA-N 2 1 371.550 3.605 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000511047957 935053901 /nfs/dbraw/zinc/05/39/01/935053901.db2.gz JGUKBNNNEFFNNO-MRXNPFEDSA-N 2 1 364.287 3.848 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000071954569 935079226 /nfs/dbraw/zinc/07/92/26/935079226.db2.gz JLYKKNHIDSHJQC-IBGZPJMESA-N 2 1 373.585 3.870 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657309737 935081986 /nfs/dbraw/zinc/08/19/86/935081986.db2.gz GCSRXTCTBDGRPU-KRWDZBQOSA-N 2 1 353.514 3.667 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657309737 935081994 /nfs/dbraw/zinc/08/19/94/935081994.db2.gz GCSRXTCTBDGRPU-KRWDZBQOSA-N 2 1 353.514 3.667 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000657311238 935086790 /nfs/dbraw/zinc/08/67/90/935086790.db2.gz IMBXVPPETTXKMJ-CQSZACIVSA-N 2 1 354.336 3.897 20 0 FHADMP COCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000511055107 935123985 /nfs/dbraw/zinc/12/39/85/935123985.db2.gz VIIFGNIBRWQHPA-FQEVSTJZSA-N 2 1 350.522 3.873 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000511066723 935210433 /nfs/dbraw/zinc/21/04/33/935210433.db2.gz WHXDZFYVNZOQLL-IBGZPJMESA-N 2 1 359.558 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000511066723 935210435 /nfs/dbraw/zinc/21/04/35/935210435.db2.gz WHXDZFYVNZOQLL-IBGZPJMESA-N 2 1 359.558 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000511066723 935210438 /nfs/dbraw/zinc/21/04/38/935210438.db2.gz WHXDZFYVNZOQLL-IBGZPJMESA-N 2 1 359.558 3.911 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000657335554 935259712 /nfs/dbraw/zinc/25/97/12/935259712.db2.gz GTRYODXXZGHUAG-SFHVURJKSA-N 2 1 360.542 3.845 20 0 FHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657337479 935262757 /nfs/dbraw/zinc/26/27/57/935262757.db2.gz WMYMXZUIRIFDAR-UHFFFAOYSA-N 2 1 368.399 3.657 20 0 FHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657342885 935284628 /nfs/dbraw/zinc/28/46/28/935284628.db2.gz GDFAPSFPQZUMJP-UHFFFAOYSA-N 2 1 373.472 3.604 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140533 935324250 /nfs/dbraw/zinc/32/42/50/935324250.db2.gz UWKPPBARSXMUJZ-LNLFQRSKSA-N 2 1 353.514 3.571 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657375218 935443709 /nfs/dbraw/zinc/44/37/09/935443709.db2.gz WOFZLACXDWBICM-OXJNMPFZSA-N 2 1 358.555 3.922 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657375218 935443712 /nfs/dbraw/zinc/44/37/12/935443712.db2.gz WOFZLACXDWBICM-OXJNMPFZSA-N 2 1 358.555 3.922 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657375221 935443928 /nfs/dbraw/zinc/44/39/28/935443928.db2.gz WOFZLACXDWBICM-OXQOHEQNSA-N 2 1 358.555 3.922 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657375221 935443932 /nfs/dbraw/zinc/44/39/32/935443932.db2.gz WOFZLACXDWBICM-OXQOHEQNSA-N 2 1 358.555 3.922 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000582241524 935448918 /nfs/dbraw/zinc/44/89/18/935448918.db2.gz WOTIOGFJMWJXBP-AEFFLSMTSA-N 2 1 370.541 3.873 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657374646 935455640 /nfs/dbraw/zinc/45/56/40/935455640.db2.gz OZBIGENCZLEQMS-UHFFFAOYSA-N 2 1 364.493 3.808 20 0 FHADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719408 935479634 /nfs/dbraw/zinc/47/96/34/935479634.db2.gz AARNVTJOZLTWOB-FPOVZHCZSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548719408 935479637 /nfs/dbraw/zinc/47/96/37/935479637.db2.gz AARNVTJOZLTWOB-FPOVZHCZSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548719408 935479640 /nfs/dbraw/zinc/47/96/40/935479640.db2.gz AARNVTJOZLTWOB-FPOVZHCZSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207285346 935510650 /nfs/dbraw/zinc/51/06/50/935510650.db2.gz HDJZDZXKRDCGMX-UHFFFAOYSA-N 2 1 355.567 3.543 20 0 FHADMP Cc1cc(OCC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1C(C)C ZINC000109754684 935517758 /nfs/dbraw/zinc/51/77/58/935517758.db2.gz MWZAYGNNCIUPSF-OAQYLSRUSA-N 2 1 373.585 3.599 20 0 FHADMP Cc1cc(OCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1C(C)C ZINC000109754684 935517762 /nfs/dbraw/zinc/51/77/62/935517762.db2.gz MWZAYGNNCIUPSF-OAQYLSRUSA-N 2 1 373.585 3.599 20 0 FHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000582324217 935524249 /nfs/dbraw/zinc/52/42/49/935524249.db2.gz IPYAKMGTTNFNJH-KRWDZBQOSA-N 2 1 371.529 3.575 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398785 935556481 /nfs/dbraw/zinc/55/64/81/935556481.db2.gz MSQBQDPVAVHZHS-QZTJIDSGSA-N 2 1 352.526 3.539 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643137 945113229 /nfs/dbraw/zinc/11/32/29/945113229.db2.gz NAHCBPDAMPNQLG-INIZCTEOSA-N 2 1 356.297 3.944 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643137 945113236 /nfs/dbraw/zinc/11/32/36/945113236.db2.gz NAHCBPDAMPNQLG-INIZCTEOSA-N 2 1 356.297 3.944 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415631 935640374 /nfs/dbraw/zinc/64/03/74/935640374.db2.gz NEHVJALQWJXMDB-MJGOQNOKSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2ccccc2o1 ZINC000582410635 935664195 /nfs/dbraw/zinc/66/41/95/935664195.db2.gz MXYJZANBMPKUIE-HOTGVXAUSA-N 2 1 369.509 3.605 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127130 945118130 /nfs/dbraw/zinc/11/81/30/945118130.db2.gz CTTBPJZGBHBEQO-PXNSSMCTSA-N 2 1 352.478 3.555 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127130 945118139 /nfs/dbraw/zinc/11/81/39/945118139.db2.gz CTTBPJZGBHBEQO-PXNSSMCTSA-N 2 1 352.478 3.555 20 0 FHADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(CC2CC2)n1 ZINC000657433254 935723185 /nfs/dbraw/zinc/72/31/85/935723185.db2.gz YWTTYFOCGOTFCO-WWNPGLIZSA-N 2 1 364.537 3.683 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[NH+]1CC=CCC1)C1CCCCC1 ZINC000431418863 935740710 /nfs/dbraw/zinc/74/07/10/935740710.db2.gz NGVAZOYCESYNNT-UHFFFAOYSA-N 2 1 370.541 3.835 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NCC[N@H+]1CC=CCC1)C1CCCCC1 ZINC000431418863 935740713 /nfs/dbraw/zinc/74/07/13/935740713.db2.gz NGVAZOYCESYNNT-UHFFFAOYSA-N 2 1 370.541 3.835 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NCC[N@@H+]1CC=CCC1)C1CCCCC1 ZINC000431418863 935740717 /nfs/dbraw/zinc/74/07/17/935740717.db2.gz NGVAZOYCESYNNT-UHFFFAOYSA-N 2 1 370.541 3.835 20 0 FHADMP COCC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000563366557 935754312 /nfs/dbraw/zinc/75/43/12/935754312.db2.gz RKXPDDRTMVXMRB-KRWDZBQOSA-N 2 1 355.404 3.739 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161292027 935777475 /nfs/dbraw/zinc/77/74/75/935777475.db2.gz KXLBMJWTTKKKAV-SFHVURJKSA-N 2 1 358.526 3.836 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161291897 935777564 /nfs/dbraw/zinc/77/75/64/935777564.db2.gz KXLBMJWTTKKKAV-GOSISDBHSA-N 2 1 358.526 3.836 20 0 FHADMP Cc1ncsc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000657448054 935789265 /nfs/dbraw/zinc/78/92/65/935789265.db2.gz GWFYHARENBTJAZ-MRXNPFEDSA-N 2 1 359.539 3.709 20 0 FHADMP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000657468768 935834473 /nfs/dbraw/zinc/83/44/73/935834473.db2.gz CGWOLDNDSCBCSV-KRWDZBQOSA-N 2 1 369.415 3.914 20 0 FHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000048745035 935845484 /nfs/dbraw/zinc/84/54/84/935845484.db2.gz IINUQRRMDCOQSH-SFHVURJKSA-N 2 1 364.493 3.872 20 0 FHADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1cc(F)ccc1F ZINC000051793719 935881887 /nfs/dbraw/zinc/88/18/87/935881887.db2.gz DNWMAXZAQSGKHA-FQEVSTJZSA-N 2 1 352.469 3.586 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439970901 945134235 /nfs/dbraw/zinc/13/42/35/945134235.db2.gz ILQXDCIWZIUZPC-PGRDOPGGSA-N 2 1 369.553 3.735 20 0 FHADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)nc1 ZINC000075836467 936020351 /nfs/dbraw/zinc/02/03/51/936020351.db2.gz AZDORQCRVUSGDC-OAQYLSRUSA-N 2 1 365.521 3.968 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)nc1 ZINC000075836467 936020354 /nfs/dbraw/zinc/02/03/54/936020354.db2.gz AZDORQCRVUSGDC-OAQYLSRUSA-N 2 1 365.521 3.968 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000563460844 936062640 /nfs/dbraw/zinc/06/26/40/936062640.db2.gz ZKHCSHCSQAHOOM-HOCLYGCPSA-N 2 1 363.552 3.590 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000657593142 936068453 /nfs/dbraw/zinc/06/84/53/936068453.db2.gz DVPNSQOGMHPWNJ-LJQANCHMSA-N 2 1 364.411 3.562 20 0 FHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237472177 936068726 /nfs/dbraw/zinc/06/87/26/936068726.db2.gz YIEIFSMVFXYPCH-RTBURBONSA-N 2 1 371.569 3.561 20 0 FHADMP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657597244 936073219 /nfs/dbraw/zinc/07/32/19/936073219.db2.gz REFVSQMHVUHFIF-HXUWFJFHSA-N 2 1 358.913 3.813 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000657597265 936073239 /nfs/dbraw/zinc/07/32/39/936073239.db2.gz RUKTVKCQSRYYLU-KVZIAJEVSA-N 2 1 370.459 3.712 20 0 FHADMP CC(C)COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595329 936075427 /nfs/dbraw/zinc/07/54/27/936075427.db2.gz OXRWCGPIKMDHFD-QFIPXVFZSA-N 2 1 368.521 3.578 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264207 936153926 /nfs/dbraw/zinc/15/39/26/936153926.db2.gz VBFAHGSYHMGMOZ-MJGOQNOKSA-N 2 1 372.513 3.539 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264207 936153929 /nfs/dbraw/zinc/15/39/29/936153929.db2.gz VBFAHGSYHMGMOZ-MJGOQNOKSA-N 2 1 372.513 3.539 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000582905392 936278791 /nfs/dbraw/zinc/27/87/91/936278791.db2.gz NQLPHQZPFGMZOL-SFHVURJKSA-N 2 1 370.459 3.715 20 0 FHADMP C[C@@H]1CCC[C@@](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)([NH+](C)C)C1 ZINC000600965019 938276939 /nfs/dbraw/zinc/27/69/39/938276939.db2.gz DEPULOXAWMXRCM-XFQXTVEOSA-N 2 1 365.949 3.569 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3nc1N1CCCCC1)C2 ZINC000650709523 938290789 /nfs/dbraw/zinc/29/07/89/938290789.db2.gz DJNFQTCARAAXJS-REWPJTCUSA-N 2 1 364.537 3.786 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000414962334 945163015 /nfs/dbraw/zinc/16/30/15/945163015.db2.gz ZPMGTTZZJFXBQS-CABZTGNLSA-N 2 1 351.210 3.698 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OCc1ccncc1 ZINC000650711910 938296327 /nfs/dbraw/zinc/29/63/27/938296327.db2.gz ITYDUQONTBQLFF-FXAWDEMLSA-N 2 1 369.509 3.619 20 0 FHADMP COc1cc(C)nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657772237 938308877 /nfs/dbraw/zinc/30/88/77/938308877.db2.gz KUQAVIPLOCPFOX-FQEVSTJZSA-N 2 1 365.521 3.791 20 0 FHADMP COc1cc(C)nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657772237 938308878 /nfs/dbraw/zinc/30/88/78/938308878.db2.gz KUQAVIPLOCPFOX-FQEVSTJZSA-N 2 1 365.521 3.791 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722888 938310075 /nfs/dbraw/zinc/31/00/75/938310075.db2.gz DBAUOHCGGWOVBH-MNEFBYGVSA-N 2 1 359.901 3.749 20 0 FHADMP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n(CC2CC2)n1 ZINC000657773387 938311112 /nfs/dbraw/zinc/31/11/12/938311112.db2.gz RDMBGSMQFIZVHK-OAQYLSRUSA-N 2 1 364.537 3.685 20 0 FHADMP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(CC2CC2)n1 ZINC000657773387 938311113 /nfs/dbraw/zinc/31/11/13/938311113.db2.gz RDMBGSMQFIZVHK-OAQYLSRUSA-N 2 1 364.537 3.685 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@H+]1C1CC1 ZINC000657774501 938314053 /nfs/dbraw/zinc/31/40/53/938314053.db2.gz ZHPZQBATJJWEDP-GIVPXCGWSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774501 938314055 /nfs/dbraw/zinc/31/40/55/938314055.db2.gz ZHPZQBATJJWEDP-GIVPXCGWSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774501 938314056 /nfs/dbraw/zinc/31/40/56/938314056.db2.gz ZHPZQBATJJWEDP-GIVPXCGWSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774501 938314058 /nfs/dbraw/zinc/31/40/58/938314058.db2.gz ZHPZQBATJJWEDP-GIVPXCGWSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774501 938314061 /nfs/dbraw/zinc/31/40/61/938314061.db2.gz ZHPZQBATJJWEDP-GIVPXCGWSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774111 938317408 /nfs/dbraw/zinc/31/74/08/938317408.db2.gz XCOFSOUIGXHAGI-SFTDATJTSA-N 2 1 354.538 3.980 20 0 FHADMP c1ccc(C[NH+]2C[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317441 /nfs/dbraw/zinc/31/74/41/938317441.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317443 /nfs/dbraw/zinc/31/74/43/938317443.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317445 /nfs/dbraw/zinc/31/74/45/938317445.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317447 /nfs/dbraw/zinc/31/74/47/938317447.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317448 /nfs/dbraw/zinc/31/74/48/938317448.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317450 /nfs/dbraw/zinc/31/74/50/938317450.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317451 /nfs/dbraw/zinc/31/74/51/938317451.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 3 1 353.554 3.505 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000583624316 938323985 /nfs/dbraw/zinc/32/39/85/938323985.db2.gz GAORQRBKURXGNI-LJQANCHMSA-N 2 1 369.513 3.613 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000583624316 938323988 /nfs/dbraw/zinc/32/39/88/938323988.db2.gz GAORQRBKURXGNI-LJQANCHMSA-N 2 1 369.513 3.613 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](NC[C@@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630196 938326152 /nfs/dbraw/zinc/32/61/52/938326152.db2.gz MYJVYBSWQREMJV-IRLDBZIGSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@@H]3CCCC[N@@H+]3C3CC3)CC23CC3)cc1 ZINC000583630196 938326154 /nfs/dbraw/zinc/32/61/54/938326154.db2.gz MYJVYBSWQREMJV-IRLDBZIGSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@@H]3CCCC[N@H+]3C3CC3)CC23CC3)cc1 ZINC000583630196 938326157 /nfs/dbraw/zinc/32/61/57/938326157.db2.gz MYJVYBSWQREMJV-IRLDBZIGSA-N 2 1 353.554 3.790 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777031 938330604 /nfs/dbraw/zinc/33/06/04/938330604.db2.gz KLAYTDRVERWQBH-UHFFFAOYSA-N 2 1 354.485 3.675 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000583693146 938360630 /nfs/dbraw/zinc/36/06/30/938360630.db2.gz AAXXFTHTMYUHIT-DZFGPLHGSA-N 2 1 372.944 3.761 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000583693147 938360777 /nfs/dbraw/zinc/36/07/77/938360777.db2.gz AAXXFTHTMYUHIT-IOMROCGXSA-N 2 1 372.944 3.761 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@@H](C)C1 ZINC000650761128 938440138 /nfs/dbraw/zinc/44/01/38/938440138.db2.gz SOJBHNHELHZYJT-JBACZVJFSA-N 2 1 359.558 3.530 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000647314512 938484990 /nfs/dbraw/zinc/48/49/90/938484990.db2.gz BJJIOIUKVMQTTB-IPMKNSEASA-N 2 1 354.519 3.965 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000647314512 938484992 /nfs/dbraw/zinc/48/49/92/938484992.db2.gz BJJIOIUKVMQTTB-IPMKNSEASA-N 2 1 354.519 3.965 20 0 FHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC3CCSCC3)C[C@H]2CC1 ZINC001279645143 938525419 /nfs/dbraw/zinc/52/54/19/938525419.db2.gz PCZDKCLKXIBRHV-HDICACEKSA-N 2 1 365.612 3.739 20 0 FHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC3CCSCC3)C[C@H]2CC1 ZINC001279645143 938525421 /nfs/dbraw/zinc/52/54/21/938525421.db2.gz PCZDKCLKXIBRHV-HDICACEKSA-N 2 1 365.612 3.739 20 0 FHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](CC3CCSCC3)C[C@H]2CC1 ZINC001279645143 938525425 /nfs/dbraw/zinc/52/54/25/938525425.db2.gz PCZDKCLKXIBRHV-HDICACEKSA-N 2 1 365.612 3.739 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000584012312 938543079 /nfs/dbraw/zinc/54/30/79/938543079.db2.gz LIEIWUXUUOFBGQ-ZWCUEREDSA-N 2 1 372.940 3.916 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccncc2s1 ZINC000657824551 938575886 /nfs/dbraw/zinc/57/58/86/938575886.db2.gz UOOQCVQWNKQWPD-INIZCTEOSA-N 2 1 367.518 3.979 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C)Cc3ccccc3)CC2)oc1C ZINC000133818476 938599302 /nfs/dbraw/zinc/59/93/02/938599302.db2.gz BQWXDNRHXQLHRI-QGZVFWFLSA-N 2 1 355.526 3.972 20 0 FHADMP O=C(C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)Nc1cccc(F)c1 ZINC000584171942 938628255 /nfs/dbraw/zinc/62/82/55/938628255.db2.gz OJZRNKQQGCCCPA-FQEVSTJZSA-N 2 1 367.468 3.551 20 0 FHADMP O=C(c1ccco1)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000159252412 938648318 /nfs/dbraw/zinc/64/83/18/938648318.db2.gz VJDMYUDZYWLORM-FQEVSTJZSA-N 2 1 373.541 3.519 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000584255832 938661339 /nfs/dbraw/zinc/66/13/39/938661339.db2.gz YUBLXUZRMPCKLY-KUHUBIRLSA-N 2 1 351.425 3.974 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000657837960 938680905 /nfs/dbraw/zinc/68/09/05/938680905.db2.gz LBFCAVBRLFHSFC-CVDCTZTESA-N 2 1 374.569 3.840 20 0 FHADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323271 938686853 /nfs/dbraw/zinc/68/68/53/938686853.db2.gz GLBRIUHNRZSIQB-SFTDATJTSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323271 938686855 /nfs/dbraw/zinc/68/68/55/938686855.db2.gz GLBRIUHNRZSIQB-SFTDATJTSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323271 938686857 /nfs/dbraw/zinc/68/68/57/938686857.db2.gz GLBRIUHNRZSIQB-SFTDATJTSA-N 2 1 360.505 3.527 20 0 FHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081659422 938796395 /nfs/dbraw/zinc/79/63/95/938796395.db2.gz NRFPFMJJQHNBSF-OAQYLSRUSA-N 2 1 369.484 3.533 20 0 FHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081659422 938796398 /nfs/dbraw/zinc/79/63/98/938796398.db2.gz NRFPFMJJQHNBSF-OAQYLSRUSA-N 2 1 369.484 3.533 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631908 938800064 /nfs/dbraw/zinc/80/00/64/938800064.db2.gz NKNLTNQRPFZDHB-LJQANCHMSA-N 2 1 365.521 3.832 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631908 938800067 /nfs/dbraw/zinc/80/00/67/938800067.db2.gz NKNLTNQRPFZDHB-LJQANCHMSA-N 2 1 365.521 3.832 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631908 938800071 /nfs/dbraw/zinc/80/00/71/938800071.db2.gz NKNLTNQRPFZDHB-LJQANCHMSA-N 2 1 365.521 3.832 20 0 FHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633797 938800273 /nfs/dbraw/zinc/80/02/73/938800273.db2.gz FJCXWVQBCHYLGP-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633797 938800275 /nfs/dbraw/zinc/80/02/75/938800275.db2.gz FJCXWVQBCHYLGP-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633797 938800278 /nfs/dbraw/zinc/80/02/78/938800278.db2.gz FJCXWVQBCHYLGP-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633797 938800280 /nfs/dbraw/zinc/80/02/80/938800280.db2.gz FJCXWVQBCHYLGP-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000708539719 938815072 /nfs/dbraw/zinc/81/50/72/938815072.db2.gz DXUNRKPWMBQXSR-OXQOHEQNSA-N 2 1 364.493 3.836 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666742 938862288 /nfs/dbraw/zinc/86/22/88/938862288.db2.gz ZYESLCLQTNUCME-DENIHFKCSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666742 938862290 /nfs/dbraw/zinc/86/22/90/938862290.db2.gz ZYESLCLQTNUCME-DENIHFKCSA-N 2 1 371.569 3.716 20 0 FHADMP COCC[NH+]1CCC([NH2+]CCc2cccc(OCc3ccccc3)c2)CC1 ZINC000090953712 938879682 /nfs/dbraw/zinc/87/96/82/938879682.db2.gz PQYPKTOVWBEEHY-UHFFFAOYSA-N 2 1 368.521 3.509 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091287223 938899678 /nfs/dbraw/zinc/89/96/78/938899678.db2.gz JDWDXSXNSYOHMC-HSZRJFAPSA-N 2 1 366.553 3.706 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3cccnc3)C(C)C)CC2)oc1C ZINC000091337356 938900283 /nfs/dbraw/zinc/90/02/83/938900283.db2.gz MRTQYYHHRBNOSZ-NRFANRHFSA-N 2 1 356.514 3.885 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541153 938903074 /nfs/dbraw/zinc/90/30/74/938903074.db2.gz IKDPKBUVZMEBAV-AVRDEDQJSA-N 2 1 360.505 3.934 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414900914 945214838 /nfs/dbraw/zinc/21/48/38/945214838.db2.gz FLSLNVZOFMDSNW-SJLPKXTDSA-N 2 1 369.513 3.694 20 0 FHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431567727 938975514 /nfs/dbraw/zinc/97/55/14/938975514.db2.gz WWSHGMAWULDXSW-PMACEKPBSA-N 2 1 373.541 3.720 20 0 FHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567727 938975515 /nfs/dbraw/zinc/97/55/15/938975515.db2.gz WWSHGMAWULDXSW-PMACEKPBSA-N 2 1 373.541 3.720 20 0 FHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458542 938987973 /nfs/dbraw/zinc/98/79/73/938987973.db2.gz ZNPPDBNKFUXUIM-FQEVSTJZSA-N 2 1 359.602 3.732 20 0 FHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)cc1F ZINC000685458396 938988038 /nfs/dbraw/zinc/98/80/38/938988038.db2.gz CRUQPSVJDOAVLS-UHFFFAOYSA-N 2 1 355.501 3.562 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000685462858 938988678 /nfs/dbraw/zinc/98/86/78/938988678.db2.gz UYYHKFHOKWPBPH-INIZCTEOSA-N 2 1 357.498 3.690 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000685462858 938988679 /nfs/dbraw/zinc/98/86/79/938988679.db2.gz UYYHKFHOKWPBPH-INIZCTEOSA-N 2 1 357.498 3.690 20 0 FHADMP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000093364877 938995311 /nfs/dbraw/zinc/99/53/11/938995311.db2.gz BQJKEBOCTQIMRZ-IBGZPJMESA-N 2 1 359.539 3.901 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C(C)C)C2CCCC2)CC1 ZINC000170985884 938996734 /nfs/dbraw/zinc/99/67/34/938996734.db2.gz ZYNWVWUTIWTPIB-UHFFFAOYSA-N 2 1 371.569 3.729 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566843 939001223 /nfs/dbraw/zinc/00/12/23/939001223.db2.gz YQTJDRVHJPWPTD-CRAIPNDOSA-N 2 1 359.539 3.566 20 0 FHADMP Cc1ncccc1CN1CCCC2(CCC[N@@H+](Cc3cccnc3C)C2)C1 ZINC000685593093 939003077 /nfs/dbraw/zinc/00/30/77/939003077.db2.gz FYQWPNQWJFDIIS-UHFFFAOYSA-N 2 1 364.537 3.972 20 0 FHADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564158 939015779 /nfs/dbraw/zinc/01/57/79/939015779.db2.gz HOBSPNDYWZIBCI-LJQANCHMSA-N 2 1 354.498 3.536 20 0 FHADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564158 939015780 /nfs/dbraw/zinc/01/57/80/939015780.db2.gz HOBSPNDYWZIBCI-LJQANCHMSA-N 2 1 354.498 3.536 20 0 FHADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067930 939021547 /nfs/dbraw/zinc/02/15/47/939021547.db2.gz SGVQUMQUNQGYOX-HXUWFJFHSA-N 2 1 366.496 3.734 20 0 FHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137061 939030394 /nfs/dbraw/zinc/03/03/94/939030394.db2.gz IRBXXWOCLRFUOE-ZNLUXHQJSA-N 2 1 350.506 3.900 20 0 FHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658141479 939035086 /nfs/dbraw/zinc/03/50/86/939035086.db2.gz BMNPHESFYWAYEP-LAUBAEHRSA-N 2 1 354.494 3.503 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143140 939035861 /nfs/dbraw/zinc/03/58/61/939035861.db2.gz WXWHGARUWNQLIW-LAUBAEHRSA-N 2 1 361.489 3.652 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143460 939036579 /nfs/dbraw/zinc/03/65/79/939036579.db2.gz YJUWEDRRAVZIAR-WIYYLYMNSA-N 2 1 360.448 3.772 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137168 939040758 /nfs/dbraw/zinc/04/07/58/939040758.db2.gz JHVYIPCEPPNIIN-VXKWHMMOSA-N 2 1 354.469 3.633 20 0 FHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138729 939041799 /nfs/dbraw/zinc/04/17/99/939041799.db2.gz KCCJOPRDKXAOFC-VGOFRKELSA-N 2 1 356.485 3.503 20 0 FHADMP Cc1cc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139633 939043060 /nfs/dbraw/zinc/04/30/60/939043060.db2.gz QPYAVTYRELLACB-GMAHTHKFSA-N 2 1 368.496 3.942 20 0 FHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140827 939043540 /nfs/dbraw/zinc/04/35/40/939043540.db2.gz RDWXIKJZZDGBPP-HMFYCAOWSA-N 2 1 368.521 3.544 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000658303604 939095342 /nfs/dbraw/zinc/09/53/42/939095342.db2.gz BZBAAOXYKLLLJI-FPOVZHCZSA-N 2 1 371.569 3.573 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319971 939110358 /nfs/dbraw/zinc/11/03/58/939110358.db2.gz KUAZZBGTDSIHRK-LEWJYISDSA-N 2 1 352.526 3.763 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507459704 945249151 /nfs/dbraw/zinc/24/91/51/945249151.db2.gz GUIRTORZJWAVHS-FCJDFRRUSA-N 3 1 357.586 3.997 20 0 FHADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507488328 945274418 /nfs/dbraw/zinc/27/44/18/945274418.db2.gz UHUQNJKVBPBHGJ-XQUALCHDSA-N 2 1 364.533 3.783 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000511853900 945283320 /nfs/dbraw/zinc/28/33/20/945283320.db2.gz NEJZSOPYLVRHAU-UHFFFAOYSA-N 2 1 359.558 3.911 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000375887735 940021577 /nfs/dbraw/zinc/02/15/77/940021577.db2.gz FCROODXRLUKUKV-HSZRJFAPSA-N 2 1 365.565 3.873 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177220431 940031953 /nfs/dbraw/zinc/03/19/53/940031953.db2.gz WDJMKIHEFGJUDA-QGZVFWFLSA-N 2 1 353.551 3.630 20 0 FHADMP C[NH+](C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000431653756 940044175 /nfs/dbraw/zinc/04/41/75/940044175.db2.gz MFOYQHQBMNQIJW-PMACEKPBSA-N 2 1 373.928 3.752 20 0 FHADMP C[NH+](C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000431653758 940044252 /nfs/dbraw/zinc/04/42/52/940044252.db2.gz MFOYQHQBMNQIJW-VQTJNVASSA-N 2 1 373.928 3.752 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CC2CCCCC2)CC1 ZINC000548933017 940096354 /nfs/dbraw/zinc/09/63/54/940096354.db2.gz DEQRUUKJOHBIEO-UHFFFAOYSA-N 2 1 371.569 3.588 20 0 FHADMP CCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482517 940098390 /nfs/dbraw/zinc/09/83/90/940098390.db2.gz LNDDIKGVJNLFJN-UHFFFAOYSA-N 2 1 372.431 3.743 20 0 FHADMP CCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482517 940098393 /nfs/dbraw/zinc/09/83/93/940098393.db2.gz LNDDIKGVJNLFJN-UHFFFAOYSA-N 2 1 372.431 3.743 20 0 FHADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507520568 945299628 /nfs/dbraw/zinc/29/96/28/945299628.db2.gz RLKFOFNCZSCSJR-HAGHYFMRSA-N 2 1 356.535 3.590 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@H]1[NH3+] ZINC000647497729 940376704 /nfs/dbraw/zinc/37/67/04/940376704.db2.gz SVIQGNVNKBFOPM-PZJWPPBQSA-N 2 1 353.510 3.837 20 0 FHADMP c1cc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)o2)n[nH]1 ZINC000685850966 940467530 /nfs/dbraw/zinc/46/75/30/940467530.db2.gz XMENMOFBUDDFTF-RTBURBONSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)o2)n[nH]1 ZINC000685850966 940467532 /nfs/dbraw/zinc/46/75/32/940467532.db2.gz XMENMOFBUDDFTF-RTBURBONSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)o2)n[nH]1 ZINC000685850966 940467535 /nfs/dbraw/zinc/46/75/35/940467535.db2.gz XMENMOFBUDDFTF-RTBURBONSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)o2)n[nH]1 ZINC000685850966 940467539 /nfs/dbraw/zinc/46/75/39/940467539.db2.gz XMENMOFBUDDFTF-RTBURBONSA-N 2 1 362.477 3.624 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414060238 940469471 /nfs/dbraw/zinc/46/94/71/940469471.db2.gz ASVYWOGMDOXDMG-IEBWSBKVSA-N 2 1 350.934 3.803 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000414097181 940502572 /nfs/dbraw/zinc/50/25/72/940502572.db2.gz IFCWDVRBSUWAJR-CVEARBPZSA-N 2 1 350.466 3.866 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414108444 940510675 /nfs/dbraw/zinc/51/06/75/940510675.db2.gz LSEKQLSUEGDSEO-BBTUJRGHSA-N 2 1 353.510 3.521 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414151821 940681074 /nfs/dbraw/zinc/68/10/74/940681074.db2.gz WPQJEFKPPYKGBX-YJMBLLCNSA-N 2 1 356.554 3.939 20 0 FHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414174677 940711984 /nfs/dbraw/zinc/71/19/84/940711984.db2.gz GSHVLWKSKZULMU-SIKLNZKXSA-N 2 1 353.510 3.696 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414178046 940717312 /nfs/dbraw/zinc/71/73/12/940717312.db2.gz KBILSPPXQHBPSO-QZTJIDSGSA-N 2 1 360.546 3.943 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295126 940718409 /nfs/dbraw/zinc/71/84/09/940718409.db2.gz AIQACUQOHWDSKC-ZWKOTPCHSA-N 2 1 367.537 3.868 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219502 940787334 /nfs/dbraw/zinc/78/73/34/940787334.db2.gz HMVXLJXPKQDFEX-ZECSIRQKSA-N 2 1 350.506 3.942 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219502 940787335 /nfs/dbraw/zinc/78/73/35/940787335.db2.gz HMVXLJXPKQDFEX-ZECSIRQKSA-N 2 1 350.506 3.942 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657228 945358984 /nfs/dbraw/zinc/35/89/84/945358984.db2.gz OQNDTRUKFRLGPK-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657228 945358991 /nfs/dbraw/zinc/35/89/91/945358991.db2.gz OQNDTRUKFRLGPK-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657228 945359002 /nfs/dbraw/zinc/35/90/02/945359002.db2.gz OQNDTRUKFRLGPK-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccccc2s1 ZINC000431828121 940927847 /nfs/dbraw/zinc/92/78/47/940927847.db2.gz MKPCXELYDOLKCI-UHFFFAOYSA-N 2 1 372.582 3.929 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000519367061 945361563 /nfs/dbraw/zinc/36/15/63/945361563.db2.gz MVVYITYMCXUKHT-KDURUIRLSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414333618 940993912 /nfs/dbraw/zinc/99/39/12/940993912.db2.gz ATHFXTMRZUJWLW-VCOUNFBDSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889311 941067651 /nfs/dbraw/zinc/06/76/51/941067651.db2.gz PFFOZQPXOMAXCG-LJQANCHMSA-N 2 1 357.542 3.626 20 0 FHADMP C[N@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 ZINC000423527025 941124630 /nfs/dbraw/zinc/12/46/30/941124630.db2.gz LXGKAJYFOYOYCM-PYLVQQMBSA-N 2 1 353.554 3.565 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178367996 941237643 /nfs/dbraw/zinc/23/76/43/941237643.db2.gz HZPFVYJGIUFMMB-QFBILLFUSA-N 2 1 369.475 3.656 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000178367996 941237646 /nfs/dbraw/zinc/23/76/46/941237646.db2.gz HZPFVYJGIUFMMB-QFBILLFUSA-N 2 1 369.475 3.656 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056579 941576112 /nfs/dbraw/zinc/57/61/12/941576112.db2.gz SLRZDLGYGXMIDI-DENIHFKCSA-N 2 1 351.494 3.625 20 0 FHADMP Brc1ccc(-c2ncc(C[NH2+]CCC[NH2+]C3CC3)s2)cc1 ZINC000415064373 941576579 /nfs/dbraw/zinc/57/65/79/941576579.db2.gz CJYJVFKPNOOAFA-UHFFFAOYSA-N 2 1 366.328 3.804 20 0 FHADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OCC(F)(F)F ZINC000415066159 941578011 /nfs/dbraw/zinc/57/80/11/941578011.db2.gz OAFBLXVKGMZTRK-OAHLLOKOSA-N 2 1 360.420 3.634 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C[NH3+])C3CCCC3)c2)cc1 ZINC000415061311 941579112 /nfs/dbraw/zinc/57/91/12/941579112.db2.gz CHAJJUSZPJWZBW-NRFANRHFSA-N 2 1 367.493 3.555 20 0 FHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000415100601 941603831 /nfs/dbraw/zinc/60/38/31/941603831.db2.gz AVUQKJVDJLLZAK-WMLDXEAASA-N 2 1 361.288 3.851 20 0 FHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CCCO1 ZINC000415110514 941610754 /nfs/dbraw/zinc/61/07/54/941610754.db2.gz PIOZJTOJZKIBSJ-HNNXBMFYSA-N 2 1 370.440 3.984 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CCCO1 ZINC000415110514 941610758 /nfs/dbraw/zinc/61/07/58/941610758.db2.gz PIOZJTOJZKIBSJ-HNNXBMFYSA-N 2 1 370.440 3.984 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)C1 ZINC000415118938 941614627 /nfs/dbraw/zinc/61/46/27/941614627.db2.gz DTXSJKRXNRQRLO-WBVHZDCISA-N 2 1 374.859 3.660 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134890 941621925 /nfs/dbraw/zinc/62/19/25/941621925.db2.gz WHHOSENWFBLWQV-WBVHZDCISA-N 2 1 360.523 3.752 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131528 941623845 /nfs/dbraw/zinc/62/38/45/941623845.db2.gz SOGHNSGPUSURCF-XLIONFOSSA-N 2 1 354.494 3.691 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000729318303 941716787 /nfs/dbraw/zinc/71/67/87/941716787.db2.gz NHHBTQLLNOCGMQ-FQEVSTJZSA-N 2 1 371.569 3.943 20 0 FHADMP C[C@@H](O)c1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000377540046 941796144 /nfs/dbraw/zinc/79/61/44/941796144.db2.gz HJUAOZJXQZLFQM-JKSUJKDBSA-N 2 1 351.560 3.673 20 0 FHADMP C[C@@H](O)c1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000377540046 941796147 /nfs/dbraw/zinc/79/61/47/941796147.db2.gz HJUAOZJXQZLFQM-JKSUJKDBSA-N 2 1 351.560 3.673 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)CC1 ZINC000093132652 941803192 /nfs/dbraw/zinc/80/31/92/941803192.db2.gz VPRBYQNFGITLTC-QGZVFWFLSA-N 2 1 373.541 3.766 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccc(F)c4C)o3)C2)CC1 ZINC000093132776 941808017 /nfs/dbraw/zinc/80/80/17/941808017.db2.gz JROKWTFPXVOZDF-GOSISDBHSA-N 2 1 371.500 3.606 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000377595246 941829346 /nfs/dbraw/zinc/82/93/46/941829346.db2.gz UWJJCSTVWILWAH-MRXNPFEDSA-N 2 1 358.449 3.612 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)CC1 ZINC000093132874 941843214 /nfs/dbraw/zinc/84/32/14/941843214.db2.gz WGTPKPOZKKZYDE-GOSISDBHSA-N 2 1 373.541 3.766 20 0 FHADMP CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286394 941876273 /nfs/dbraw/zinc/87/62/73/941876273.db2.gz FXENBHDYOHXGLV-HUUCEWRRSA-N 2 1 371.447 3.887 20 0 FHADMP CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286185 941876518 /nfs/dbraw/zinc/87/65/18/941876518.db2.gz FXENBHDYOHXGLV-LSDHHAIUSA-N 2 1 371.447 3.887 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000377688853 941896683 /nfs/dbraw/zinc/89/66/83/941896683.db2.gz AXNDZBZIMGOMAV-STQMWFEESA-N 2 1 364.287 3.567 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000377688850 941896812 /nfs/dbraw/zinc/89/68/12/941896812.db2.gz AXNDZBZIMGOMAV-CHWSQXEVSA-N 2 1 364.287 3.567 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000377688852 941896906 /nfs/dbraw/zinc/89/69/06/941896906.db2.gz AXNDZBZIMGOMAV-QWHCGFSZSA-N 2 1 364.287 3.567 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000377688851 941896975 /nfs/dbraw/zinc/89/69/75/941896975.db2.gz AXNDZBZIMGOMAV-OLZOCXBDSA-N 2 1 364.287 3.567 20 0 FHADMP CCOCc1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000377696990 941913766 /nfs/dbraw/zinc/91/37/66/941913766.db2.gz JNMOKEGPOFXBND-UHFFFAOYSA-N 2 1 369.509 3.728 20 0 FHADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000513655725 942058157 /nfs/dbraw/zinc/05/81/57/942058157.db2.gz NYLFQFGOXHCEIC-QHAWAJNXSA-N 2 1 368.525 3.591 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659872946 942085491 /nfs/dbraw/zinc/08/54/91/942085491.db2.gz HMFWLBLYOBVANB-UHFFFAOYSA-N 2 1 360.505 3.974 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415905907 942133801 /nfs/dbraw/zinc/13/38/01/942133801.db2.gz JDBYDUSHAWTVHZ-UWJYYQICSA-N 2 1 366.509 3.581 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415912478 942146082 /nfs/dbraw/zinc/14/60/82/942146082.db2.gz LLMQBWWZSKLUCC-PXNSSMCTSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000415936854 942168459 /nfs/dbraw/zinc/16/84/59/942168459.db2.gz XCMHEJJXDIMFHJ-LJQANCHMSA-N 2 1 358.530 3.715 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415943734 942176603 /nfs/dbraw/zinc/17/66/03/942176603.db2.gz MSQXRWRJGJTEBW-UHFFFAOYSA-N 2 1 372.557 3.916 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1)CC(C)C ZINC000415945448 942178935 /nfs/dbraw/zinc/17/89/35/942178935.db2.gz DABPAEAHJAMKJT-UHFFFAOYSA-N 2 1 360.546 3.757 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415945877 942179145 /nfs/dbraw/zinc/17/91/45/942179145.db2.gz RYILWNWWTAFTRI-DYESRHJHSA-N 2 1 366.509 3.581 20 0 FHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431855941 942191755 /nfs/dbraw/zinc/19/17/55/942191755.db2.gz CTPKVIQDFXHZNM-FCHUYYIVSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431855941 942191760 /nfs/dbraw/zinc/19/17/60/942191760.db2.gz CTPKVIQDFXHZNM-FCHUYYIVSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431855941 942191766 /nfs/dbraw/zinc/19/17/66/942191766.db2.gz CTPKVIQDFXHZNM-FCHUYYIVSA-N 2 1 371.569 3.622 20 0 FHADMP c1cc(C[NH+]2CCC(OC3CCCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420898030 942243855 /nfs/dbraw/zinc/24/38/55/942243855.db2.gz BZVITBGSQRNBJM-UHFFFAOYSA-N 2 1 372.553 3.833 20 0 FHADMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000420937332 942263643 /nfs/dbraw/zinc/26/36/43/942263643.db2.gz LEZPZFHDBNAKDH-UHFFFAOYSA-N 2 1 360.448 3.822 20 0 FHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040455 942270425 /nfs/dbraw/zinc/27/04/25/942270425.db2.gz ZYIGKXDYMWCMLH-ZWQIFLOQSA-N 2 1 370.459 3.992 20 0 FHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000501053968 942290206 /nfs/dbraw/zinc/29/02/06/942290206.db2.gz PCOMPDAYCAZPKZ-NRFANRHFSA-N 2 1 374.573 3.544 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4cc(F)ccc34)cc2)C1 ZINC000664239935 942383518 /nfs/dbraw/zinc/38/35/18/942383518.db2.gz UDQXPJHXNRZFQG-SFHVURJKSA-N 2 1 351.425 3.553 20 0 FHADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000312075702 942415474 /nfs/dbraw/zinc/41/54/74/942415474.db2.gz QARBVUCKQUKLPQ-UGKGYDQZSA-N 2 1 356.485 3.751 20 0 FHADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513713563 942430523 /nfs/dbraw/zinc/43/05/23/942430523.db2.gz QCTMBTTYFQVFMG-VXSCBNMQSA-N 2 1 371.569 3.572 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501358974 942432291 /nfs/dbraw/zinc/43/22/91/942432291.db2.gz BVYNVLISQTYFBS-BHIFYINESA-N 2 1 371.569 3.666 20 0 FHADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406589 942480144 /nfs/dbraw/zinc/48/01/44/942480144.db2.gz FODDIWDAGFNDFS-DNVCBOLYSA-N 2 1 356.539 3.597 20 0 FHADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406589 942480146 /nfs/dbraw/zinc/48/01/46/942480146.db2.gz FODDIWDAGFNDFS-DNVCBOLYSA-N 2 1 356.539 3.597 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000501475616 942501381 /nfs/dbraw/zinc/50/13/81/942501381.db2.gz JVAADTFUPRKBJB-FYXHJSOBSA-N 2 1 370.459 3.791 20 0 FHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)C[C@@H](C)O1 ZINC000421351620 942503095 /nfs/dbraw/zinc/50/30/95/942503095.db2.gz CJTNDFBJDNCXLW-RTBURBONSA-N 2 1 372.553 3.654 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364296 942516170 /nfs/dbraw/zinc/51/61/70/942516170.db2.gz OCCRLRMHUXPVCA-XZOQPEGZSA-N 2 1 350.506 3.537 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364296 942516179 /nfs/dbraw/zinc/51/61/79/942516179.db2.gz OCCRLRMHUXPVCA-XZOQPEGZSA-N 2 1 350.506 3.537 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374099 942525753 /nfs/dbraw/zinc/52/57/53/942525753.db2.gz NKNHUGOLKUHTBC-ZEQRLZLVSA-N 2 1 369.597 3.989 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccoc3C)CC2)c1C ZINC000414440594 942529565 /nfs/dbraw/zinc/52/95/65/942529565.db2.gz IACDNBNOFKFNEI-UHFFFAOYSA-N 2 1 357.498 3.705 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccoc3C)CC2)c1C ZINC000414440594 942529571 /nfs/dbraw/zinc/52/95/71/942529571.db2.gz IACDNBNOFKFNEI-UHFFFAOYSA-N 2 1 357.498 3.705 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000501534694 942535081 /nfs/dbraw/zinc/53/50/81/942535081.db2.gz UZBMOHJIFUUSGS-RTBURBONSA-N 2 1 374.573 3.591 20 0 FHADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(Br)c1OC ZINC000414840374 942542671 /nfs/dbraw/zinc/54/26/71/942542671.db2.gz KCUTYZDBJOWWMK-UHFFFAOYSA-N 2 1 371.319 3.608 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000378298095 942549002 /nfs/dbraw/zinc/54/90/02/942549002.db2.gz WTJSXYPLDSAUJE-QGZVFWFLSA-N 2 1 369.444 3.650 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000378298095 942549004 /nfs/dbraw/zinc/54/90/04/942549004.db2.gz WTJSXYPLDSAUJE-QGZVFWFLSA-N 2 1 369.444 3.650 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3([NH3+])CCCCC3)c2)cc1 ZINC000414842421 942577721 /nfs/dbraw/zinc/57/77/21/942577721.db2.gz MRHZZAGKKHEBLN-UHFFFAOYSA-N 2 1 367.493 3.699 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)on1 ZINC000420293717 942596687 /nfs/dbraw/zinc/59/66/87/942596687.db2.gz RRKCPYAGLJFDPE-KDOFPFPSSA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)on1 ZINC000420293717 942596692 /nfs/dbraw/zinc/59/66/92/942596692.db2.gz RRKCPYAGLJFDPE-KDOFPFPSSA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295872 942598109 /nfs/dbraw/zinc/59/81/09/942598109.db2.gz BBVZVIWWANSQGQ-LAUBAEHRSA-N 2 1 370.493 3.592 20 0 FHADMP COc1ccc(CC[N@@H+](CC[C@H]2CC[NH2+]C2)Cc2ccsc2)cc1OC ZINC000420295231 942598403 /nfs/dbraw/zinc/59/84/03/942598403.db2.gz BYXCONZTMNDHBI-GOSISDBHSA-N 2 1 374.550 3.810 20 0 FHADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000513912865 942604143 /nfs/dbraw/zinc/60/41/43/942604143.db2.gz ITQVADCQVSTTAI-NRFANRHFSA-N 2 1 371.569 3.524 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1 ZINC000420299275 942609780 /nfs/dbraw/zinc/60/97/80/942609780.db2.gz IPRXZKJXRZACDX-LRXVAGHRSA-N 2 1 354.494 3.508 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1 ZINC000420299275 942609783 /nfs/dbraw/zinc/60/97/83/942609783.db2.gz IPRXZKJXRZACDX-LRXVAGHRSA-N 2 1 354.494 3.508 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1 ZINC000420299273 942610217 /nfs/dbraw/zinc/61/02/17/942610217.db2.gz IPRXZKJXRZACDX-JUXOCIIHSA-N 2 1 354.494 3.508 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1 ZINC000420299273 942610222 /nfs/dbraw/zinc/61/02/22/942610222.db2.gz IPRXZKJXRZACDX-JUXOCIIHSA-N 2 1 354.494 3.508 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000420300992 942611132 /nfs/dbraw/zinc/61/11/32/942611132.db2.gz IHPFAQNYCHGSDM-DYESRHJHSA-N 2 1 370.493 3.592 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305876 942612941 /nfs/dbraw/zinc/61/29/41/942612941.db2.gz GXPBGIDFRVAVPZ-UZLBHIALSA-N 2 1 355.457 3.566 20 0 FHADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309436 942615372 /nfs/dbraw/zinc/61/53/72/942615372.db2.gz TWONMJYDOXUYDJ-HXUWFJFHSA-N 2 1 352.522 3.850 20 0 FHADMP COc1ccccc1CCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000420313144 942617210 /nfs/dbraw/zinc/61/72/10/942617210.db2.gz PEJCZUUTHJUJEL-KRWDZBQOSA-N 2 1 359.539 3.504 20 0 FHADMP COc1ccccc1CCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000420313144 942617215 /nfs/dbraw/zinc/61/72/15/942617215.db2.gz PEJCZUUTHJUJEL-KRWDZBQOSA-N 2 1 359.539 3.504 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2csc(Br)c2)cc1 ZINC000420315344 942618408 /nfs/dbraw/zinc/61/84/08/942618408.db2.gz LSCSXDRFBIXQMR-CQSZACIVSA-N 2 1 369.328 3.694 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2csc(Br)c2)cc1 ZINC000420315344 942618412 /nfs/dbraw/zinc/61/84/12/942618412.db2.gz LSCSXDRFBIXQMR-CQSZACIVSA-N 2 1 369.328 3.694 20 0 FHADMP Fc1cccc(F)c1-c1csc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420316829 942619411 /nfs/dbraw/zinc/61/94/11/942619411.db2.gz NTZIEWPIHOVLMI-CQSZACIVSA-N 2 1 363.477 3.910 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321240 942621257 /nfs/dbraw/zinc/62/12/57/942621257.db2.gz QXUUHBKVUWJTMW-ZWKOTPCHSA-N 2 1 359.539 3.690 20 0 FHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327926 942630134 /nfs/dbraw/zinc/63/01/34/942630134.db2.gz LSWXBKUKPFMAQX-FVQBIDKESA-N 2 1 360.889 3.773 20 0 FHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334453 942632054 /nfs/dbraw/zinc/63/20/54/942632054.db2.gz GJXPZVDUKOVJLY-RTBURBONSA-N 2 1 354.498 3.682 20 0 FHADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420334025 942632136 /nfs/dbraw/zinc/63/21/36/942632136.db2.gz KUNLASQUMUNJBL-HDICACEKSA-N 2 1 357.542 3.803 20 0 FHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334449 942632169 /nfs/dbraw/zinc/63/21/69/942632169.db2.gz GJXPZVDUKOVJLY-OALUTQOASA-N 2 1 354.498 3.682 20 0 FHADMP CCc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000414452206 942634727 /nfs/dbraw/zinc/63/47/27/942634727.db2.gz MBQFQHYMCFUKHR-UHFFFAOYSA-N 2 1 350.510 3.527 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367567 942641908 /nfs/dbraw/zinc/64/19/08/942641908.db2.gz HAGUYXJXSXAZNJ-SJLPKXTDSA-N 2 1 360.885 3.544 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367567 942641911 /nfs/dbraw/zinc/64/19/11/942641911.db2.gz HAGUYXJXSXAZNJ-SJLPKXTDSA-N 2 1 360.885 3.544 20 0 FHADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647939042 942643357 /nfs/dbraw/zinc/64/33/57/942643357.db2.gz ZOXLGAXLFUIPRV-FXAWDEMLSA-N 2 1 351.494 3.741 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901797 942645558 /nfs/dbraw/zinc/64/55/58/942645558.db2.gz VQPRDCXPSYBHKG-IRLDBZIGSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901797 942645561 /nfs/dbraw/zinc/64/55/61/942645561.db2.gz VQPRDCXPSYBHKG-IRLDBZIGSA-N 2 1 363.505 3.903 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)cc1 ZINC000434424965 942652566 /nfs/dbraw/zinc/65/25/66/942652566.db2.gz LXFKJAUFUGSFRY-OAQYLSRUSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434424965 942652570 /nfs/dbraw/zinc/65/25/70/942652570.db2.gz LXFKJAUFUGSFRY-OAQYLSRUSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434424965 942652574 /nfs/dbraw/zinc/65/25/74/942652574.db2.gz LXFKJAUFUGSFRY-OAQYLSRUSA-N 2 1 357.542 3.665 20 0 FHADMP Cc1ccc([C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c2ccccc2)cc1 ZINC000420375405 942655870 /nfs/dbraw/zinc/65/58/70/942655870.db2.gz PIDNZEHJYJYXIV-KMDXXIMOSA-N 2 1 360.501 3.605 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405571 942662813 /nfs/dbraw/zinc/66/28/13/942662813.db2.gz TYOAIQHPKYIMKS-IFMALSPDSA-N 2 1 363.505 3.903 20 0 FHADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420407715 942664423 /nfs/dbraw/zinc/66/44/23/942664423.db2.gz OOCOKSFWDAXBOQ-ZWKOTPCHSA-N 2 1 367.493 3.724 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409527 942665200 /nfs/dbraw/zinc/66/52/00/942665200.db2.gz XESHWCGJWBTYSZ-SUMWQHHRSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647902091 942665634 /nfs/dbraw/zinc/66/56/34/942665634.db2.gz ZWWSJSQCWHCOED-IFMALSPDSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647902094 942666210 /nfs/dbraw/zinc/66/62/10/942666210.db2.gz ZWWSJSQCWHCOED-UNMCSNQZSA-N 2 1 363.505 3.903 20 0 FHADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1OC ZINC000502708421 942674340 /nfs/dbraw/zinc/67/43/40/942674340.db2.gz XPRQKJJSZLXFCU-PMACEKPBSA-N 2 1 360.542 3.975 20 0 FHADMP COc1ccc(CC[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000502708421 942674344 /nfs/dbraw/zinc/67/43/44/942674344.db2.gz XPRQKJJSZLXFCU-PMACEKPBSA-N 2 1 360.542 3.975 20 0 FHADMP COc1ccc(CC[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000502708421 942674349 /nfs/dbraw/zinc/67/43/49/942674349.db2.gz XPRQKJJSZLXFCU-PMACEKPBSA-N 2 1 360.542 3.975 20 0 FHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000501791430 942674275 /nfs/dbraw/zinc/67/42/75/942674275.db2.gz QLPNNRLMUXGZLL-UHFFFAOYSA-N 2 1 372.340 3.986 20 0 FHADMP CC[N@@H+](Cc1cnc2ccccc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659971636 942690350 /nfs/dbraw/zinc/69/03/50/942690350.db2.gz QXHNWXNWHOZFOJ-FQEVSTJZSA-N 2 1 360.505 3.974 20 0 FHADMP CC[N@H+](Cc1cnc2ccccc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659971636 942690356 /nfs/dbraw/zinc/69/03/56/942690356.db2.gz QXHNWXNWHOZFOJ-FQEVSTJZSA-N 2 1 360.505 3.974 20 0 FHADMP CC[NH+](Cc1cnc2ccccc2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659971636 942690358 /nfs/dbraw/zinc/69/03/58/942690358.db2.gz QXHNWXNWHOZFOJ-FQEVSTJZSA-N 2 1 360.505 3.974 20 0 FHADMP CC[NH+](Cc1cnc2ccccc2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659971636 942690361 /nfs/dbraw/zinc/69/03/61/942690361.db2.gz QXHNWXNWHOZFOJ-FQEVSTJZSA-N 2 1 360.505 3.974 20 0 FHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085061 942735565 /nfs/dbraw/zinc/73/55/65/942735565.db2.gz SNHKZDYRIDIXHY-MTQWCTHYSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085061 942735567 /nfs/dbraw/zinc/73/55/67/942735567.db2.gz SNHKZDYRIDIXHY-MTQWCTHYSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085061 942735571 /nfs/dbraw/zinc/73/55/71/942735571.db2.gz SNHKZDYRIDIXHY-MTQWCTHYSA-N 2 1 361.599 3.984 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741373 /nfs/dbraw/zinc/74/13/73/942741373.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741377 /nfs/dbraw/zinc/74/13/77/942741377.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741381 /nfs/dbraw/zinc/74/13/81/942741381.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741387 /nfs/dbraw/zinc/74/13/87/942741387.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741388 /nfs/dbraw/zinc/74/13/88/942741388.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741392 /nfs/dbraw/zinc/74/13/92/942741392.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741395 /nfs/dbraw/zinc/74/13/95/942741395.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741399 /nfs/dbraw/zinc/74/13/99/942741399.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741400 /nfs/dbraw/zinc/74/14/00/942741400.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP CN(CC[N@@H+](C)C(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000514118819 942767621 /nfs/dbraw/zinc/76/76/21/942767621.db2.gz NMQKVMYUJNLCAI-UHFFFAOYSA-N 2 1 351.538 3.734 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@@H]2CC[NH+](C)C2)c1 ZINC000664428648 942780476 /nfs/dbraw/zinc/78/04/76/942780476.db2.gz NZCNXUQTQNBYQO-OAQYLSRUSA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)c1 ZINC000664428648 942780479 /nfs/dbraw/zinc/78/04/79/942780479.db2.gz NZCNXUQTQNBYQO-OAQYLSRUSA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000664428648 942780484 /nfs/dbraw/zinc/78/04/84/942780484.db2.gz NZCNXUQTQNBYQO-OAQYLSRUSA-N 2 1 374.573 3.544 20 0 FHADMP COc1cccc([C@H](O)C[N@@H+](CCCn2ccnc2)Cc2ccccc2)c1 ZINC000182863404 942799212 /nfs/dbraw/zinc/79/92/12/942799212.db2.gz FFGCLVKBJWLQNZ-JOCHJYFZSA-N 2 1 365.477 3.518 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000659994524 942800614 /nfs/dbraw/zinc/80/06/14/942800614.db2.gz XCBZOAYZUAEFBB-TZIWHRDSSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000659994524 942800616 /nfs/dbraw/zinc/80/06/16/942800616.db2.gz XCBZOAYZUAEFBB-TZIWHRDSSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000659994524 942800619 /nfs/dbraw/zinc/80/06/19/942800619.db2.gz XCBZOAYZUAEFBB-TZIWHRDSSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659994524 942800623 /nfs/dbraw/zinc/80/06/23/942800623.db2.gz XCBZOAYZUAEFBB-TZIWHRDSSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659994524 942800628 /nfs/dbraw/zinc/80/06/28/942800628.db2.gz XCBZOAYZUAEFBB-TZIWHRDSSA-N 2 1 359.558 3.524 20 0 FHADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cc1C[NH+]1CCCCC1 ZINC000378512201 942845751 /nfs/dbraw/zinc/84/57/51/942845751.db2.gz JVFDUYQVRZHCPC-UZLBHIALSA-N 2 1 368.525 3.612 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)CC2)oc1C ZINC000281086796 942854483 /nfs/dbraw/zinc/85/44/83/942854483.db2.gz ABXYCAFWSAXJIM-OAQYLSRUSA-N 2 1 372.488 3.778 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502919064 942856125 /nfs/dbraw/zinc/85/61/25/942856125.db2.gz OIGFUWGELDSIEI-CEXWTWQISA-N 2 1 374.573 3.535 20 0 FHADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000503004326 942905566 /nfs/dbraw/zinc/90/55/66/942905566.db2.gz JAGUDDSMKBSPGV-IYBDPMFKSA-N 2 1 369.347 3.737 20 0 FHADMP c1[nH+]c(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)n2c1CCCC2 ZINC000434744700 942935959 /nfs/dbraw/zinc/93/59/59/942935959.db2.gz ISGLZDWQNODHDD-UHFFFAOYSA-N 2 1 351.494 3.576 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@@H]12 ZINC000503078929 942960820 /nfs/dbraw/zinc/96/08/20/942960820.db2.gz BKKVRRFFGZWNSN-ZWJSTQBLSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000503078929 942960825 /nfs/dbraw/zinc/96/08/25/942960825.db2.gz BKKVRRFFGZWNSN-ZWJSTQBLSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000503078929 942960830 /nfs/dbraw/zinc/96/08/30/942960830.db2.gz BKKVRRFFGZWNSN-ZWJSTQBLSA-N 2 1 363.590 3.655 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856180 942997875 /nfs/dbraw/zinc/99/78/75/942997875.db2.gz YLLKJRZLPOXUIF-KDOFPFPSSA-N 2 1 351.922 3.863 20 0 FHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856530 943005056 /nfs/dbraw/zinc/00/50/56/943005056.db2.gz AVACHBJCHLVFEY-HNNXBMFYSA-N 2 1 351.416 3.801 20 0 FHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856959 943030819 /nfs/dbraw/zinc/03/08/19/943030819.db2.gz ZUIXSCCSMNZERH-CXAGYDPISA-N 2 1 367.921 3.563 20 0 FHADMP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000271729221 943041761 /nfs/dbraw/zinc/04/17/61/943041761.db2.gz BVIDHXPSOOCNPN-QFIPXVFZSA-N 2 1 365.521 3.561 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000414650696 943096374 /nfs/dbraw/zinc/09/63/74/943096374.db2.gz BFEUEVYBBUUJPO-XLIONFOSSA-N 2 1 354.494 3.833 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000414650696 943096380 /nfs/dbraw/zinc/09/63/80/943096380.db2.gz BFEUEVYBBUUJPO-XLIONFOSSA-N 2 1 354.494 3.833 20 0 FHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655590 943110969 /nfs/dbraw/zinc/11/09/69/943110969.db2.gz DIBXEDFIUQTNRA-ICSRJNTNSA-N 2 1 360.505 3.768 20 0 FHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414654369 943113567 /nfs/dbraw/zinc/11/35/67/943113567.db2.gz JBQAVMDHADOSOH-LBPRGKRZSA-N 2 1 351.313 3.958 20 0 FHADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)c1 ZINC000414658314 943123585 /nfs/dbraw/zinc/12/35/85/943123585.db2.gz QJRYWAWUEZYPLA-UHFFFAOYSA-N 2 1 360.505 3.830 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674911 943200310 /nfs/dbraw/zinc/20/03/10/943200310.db2.gz SJPYTFYPDHVPQZ-RYGJVYDSSA-N 2 1 358.917 3.702 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSc1cccc(Cl)c1 ZINC000660115998 943209830 /nfs/dbraw/zinc/20/98/30/943209830.db2.gz GCDDGQOIFPHHLS-KBAYOESNSA-N 2 1 354.947 3.616 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000272725252 943210282 /nfs/dbraw/zinc/21/02/82/943210282.db2.gz GQOTWGNATKOJQX-MAUKXSAKSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000272725252 943210286 /nfs/dbraw/zinc/21/02/86/943210286.db2.gz GQOTWGNATKOJQX-MAUKXSAKSA-N 2 1 359.901 3.543 20 0 FHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000272724055 943210418 /nfs/dbraw/zinc/21/04/18/943210418.db2.gz NRDGGQKOQHMYAB-UHFFFAOYSA-N 2 1 370.566 3.675 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422636174 943215750 /nfs/dbraw/zinc/21/57/50/943215750.db2.gz MOCKVJNSPDNZFR-QWFCFKBJSA-N 2 1 365.521 3.987 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726337 943260695 /nfs/dbraw/zinc/26/06/95/943260695.db2.gz DQBSBCJIIQFHAO-ACJLOTCBSA-N 2 1 356.341 3.545 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757789 943262464 /nfs/dbraw/zinc/26/24/64/943262464.db2.gz IYZXRTXOKMVNOL-IAAVTCLWSA-N 2 1 369.475 3.818 20 0 FHADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000416969631 943263323 /nfs/dbraw/zinc/26/33/23/943263323.db2.gz CDYADCPZYHHTDB-NQIIRXRSSA-N 2 1 374.573 3.576 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754804 943273832 /nfs/dbraw/zinc/27/38/32/943273832.db2.gz GERFYSQVVPJWHB-UWWQBHOKSA-N 3 1 357.464 3.805 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754804 943273835 /nfs/dbraw/zinc/27/38/35/943273835.db2.gz GERFYSQVVPJWHB-UWWQBHOKSA-N 3 1 357.464 3.805 20 0 FHADMP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422778440 943279776 /nfs/dbraw/zinc/27/97/76/943279776.db2.gz AOPBCYURBMOIRG-XXHMAFKTSA-N 2 1 356.441 3.741 20 0 FHADMP Brc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422788959 943293479 /nfs/dbraw/zinc/29/34/79/943293479.db2.gz WGMQVELOTCAHPF-HKUYNNGSSA-N 2 1 373.294 3.795 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832696 943299655 /nfs/dbraw/zinc/29/96/55/943299655.db2.gz VIXSASJHYQGAGW-DWLFOUALSA-N 2 1 359.558 3.588 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417038798 943304702 /nfs/dbraw/zinc/30/47/02/943304702.db2.gz JENHSUWXDGSXKJ-SVFBPWRDSA-N 2 1 374.573 3.524 20 0 FHADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCC(C)CC1 ZINC000422851543 943306229 /nfs/dbraw/zinc/30/62/29/943306229.db2.gz XCASCPVLQPSVHN-QZNHQXDQSA-N 2 1 371.569 3.588 20 0 FHADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854211 943306587 /nfs/dbraw/zinc/30/65/87/943306587.db2.gz ZWBXPALGGWNVDZ-DNVJHFABSA-N 2 1 355.570 3.594 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854211 943306591 /nfs/dbraw/zinc/30/65/91/943306591.db2.gz ZWBXPALGGWNVDZ-DNVJHFABSA-N 3 1 355.570 3.594 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OCCC(C)C)c1 ZINC000422861351 943309484 /nfs/dbraw/zinc/30/94/84/943309484.db2.gz JEELZJQAIVOBSL-NJDAHSKKSA-N 2 1 360.542 3.667 20 0 FHADMP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414701000 943313561 /nfs/dbraw/zinc/31/35/61/943313561.db2.gz JWNQRYVFZSVYJX-PKOBYXMFSA-N 2 1 371.550 3.509 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422873796 943322500 /nfs/dbraw/zinc/32/25/00/943322500.db2.gz BBGIPHKCWANIFS-KBXCAEBGSA-N 2 1 352.400 3.676 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422905705 943326724 /nfs/dbraw/zinc/32/67/24/943326724.db2.gz ITGVMIDSXJRJHH-PUTINYOFSA-N 2 1 363.549 3.730 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422922727 943332526 /nfs/dbraw/zinc/33/25/26/943332526.db2.gz UFLCATWEQYJEDE-BONVTDFDSA-N 2 1 352.265 3.940 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000422950067 943346678 /nfs/dbraw/zinc/34/66/78/943346678.db2.gz VCSPJQQGVILLQH-JTQLQIEISA-N 2 1 352.251 3.601 20 0 FHADMP CCCCOc1ncccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975335 943355696 /nfs/dbraw/zinc/35/56/96/943355696.db2.gz SMUCYESCCLUZBF-UGKGYDQZSA-N 2 1 367.493 3.606 20 0 FHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000435375486 943356733 /nfs/dbraw/zinc/35/67/33/943356733.db2.gz MNXCNJACAMWQTG-UHFFFAOYSA-N 2 1 366.534 3.844 20 0 FHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000435375486 943356737 /nfs/dbraw/zinc/35/67/37/943356737.db2.gz MNXCNJACAMWQTG-UHFFFAOYSA-N 2 1 366.534 3.844 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C)C1CCCCC1 ZINC000414710519 943358890 /nfs/dbraw/zinc/35/88/90/943358890.db2.gz LDJQKHLNECKTBV-IBGZPJMESA-N 2 1 360.546 3.946 20 0 FHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)CC1 ZINC000584670891 943359213 /nfs/dbraw/zinc/35/92/13/943359213.db2.gz WUKUGOICKLDSLR-BDTNDASRSA-N 2 1 356.558 3.502 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000422999093 943360333 /nfs/dbraw/zinc/36/03/33/943360333.db2.gz DQTANMFHPFBIFO-DNVCBOLYSA-N 2 1 366.427 3.814 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414711111 943362935 /nfs/dbraw/zinc/36/29/35/943362935.db2.gz LXYNEUKMRITACN-FQEVSTJZSA-N 2 1 370.541 3.809 20 0 FHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000435372276 943366261 /nfs/dbraw/zinc/36/62/61/943366261.db2.gz JKAMKSSYDNIINY-HZPDHXFCSA-N 2 1 352.507 3.770 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000435377009 943366474 /nfs/dbraw/zinc/36/64/74/943366474.db2.gz XBAITTCJQYLAAT-RDJZCZTQSA-N 2 1 350.466 3.610 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377969 943367535 /nfs/dbraw/zinc/36/75/35/943367535.db2.gz BQCIBXLQQRGDOQ-KXBFYZLASA-N 2 1 358.457 3.582 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377969 943367540 /nfs/dbraw/zinc/36/75/40/943367540.db2.gz BQCIBXLQQRGDOQ-KXBFYZLASA-N 2 1 358.457 3.582 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435386182 943373532 /nfs/dbraw/zinc/37/35/32/943373532.db2.gz VSTPETCJJDVVCS-PWIZWCRZSA-N 2 1 357.523 3.590 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435391253 943378297 /nfs/dbraw/zinc/37/82/97/943378297.db2.gz DQFCFBXBHZQQBP-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435391253 943378303 /nfs/dbraw/zinc/37/83/03/943378303.db2.gz DQFCFBXBHZQQBP-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1F ZINC000423049753 943383588 /nfs/dbraw/zinc/38/35/88/943383588.db2.gz KRXWAIQWOOYVRU-XKQJLSEDSA-N 2 1 354.897 3.503 20 0 FHADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(Cl)c1F ZINC000423049752 943383831 /nfs/dbraw/zinc/38/38/31/943383831.db2.gz KRXWAIQWOOYVRU-KBRIMQKVSA-N 2 1 354.897 3.503 20 0 FHADMP CCC(CC)(C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(OC)c(OC)c1 ZINC000423052588 943384915 /nfs/dbraw/zinc/38/49/15/943384915.db2.gz QWEIQSSMDIACNP-OAHLLOKOSA-N 2 1 357.498 3.920 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000423083944 943388381 /nfs/dbraw/zinc/38/83/81/943388381.db2.gz ZQQXPUNPSCNZRZ-HZPDHXFCSA-N 2 1 351.372 3.604 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000435396050 943390274 /nfs/dbraw/zinc/39/02/74/943390274.db2.gz UGLMYPICIZVDHK-LIRRHRJNSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000435396050 943390281 /nfs/dbraw/zinc/39/02/81/943390281.db2.gz UGLMYPICIZVDHK-LIRRHRJNSA-N 2 1 357.885 3.761 20 0 FHADMP CC[N@@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435396260 943390533 /nfs/dbraw/zinc/39/05/33/943390533.db2.gz XGZGCAQFXOVCTD-HXUWFJFHSA-N 2 1 369.509 3.633 20 0 FHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423090470 943391312 /nfs/dbraw/zinc/39/13/12/943391312.db2.gz XRDQLZXJNLJWEW-WSDZMALLSA-N 2 1 361.496 3.692 20 0 FHADMP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1c[nH+]ccc1N ZINC000423096976 943393418 /nfs/dbraw/zinc/39/34/18/943393418.db2.gz QEGCIKSURHYESC-RAIGVLPGSA-N 2 1 364.262 3.993 20 0 FHADMP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423107691 943403726 /nfs/dbraw/zinc/40/37/26/943403726.db2.gz QANYTWARTQTUAV-FSPWUOQZSA-N 2 1 356.432 3.903 20 0 FHADMP c1csc(C[N@H+](Cc2cccc3cccnc32)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435422927 943404217 /nfs/dbraw/zinc/40/42/17/943404217.db2.gz QXNIEPAMBUYNQC-GOSISDBHSA-N 2 1 364.518 3.836 20 0 FHADMP c1csc(C[N@@H+](Cc2cccc3cccnc32)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435422927 943404221 /nfs/dbraw/zinc/40/42/21/943404221.db2.gz QXNIEPAMBUYNQC-GOSISDBHSA-N 2 1 364.518 3.836 20 0 FHADMP C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112153 943405078 /nfs/dbraw/zinc/40/50/78/943405078.db2.gz XFPMFRMUAUWKMV-SESVOUGMSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112153 943405083 /nfs/dbraw/zinc/40/50/83/943405083.db2.gz XFPMFRMUAUWKMV-SESVOUGMSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112153 943405088 /nfs/dbraw/zinc/40/50/88/943405088.db2.gz XFPMFRMUAUWKMV-SESVOUGMSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112149 943405156 /nfs/dbraw/zinc/40/51/56/943405156.db2.gz XFPMFRMUAUWKMV-DWYIHVRCSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112149 943405158 /nfs/dbraw/zinc/40/51/58/943405158.db2.gz XFPMFRMUAUWKMV-DWYIHVRCSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112149 943405163 /nfs/dbraw/zinc/40/51/63/943405163.db2.gz XFPMFRMUAUWKMV-DWYIHVRCSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H](CC1CCOCC1)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426617 943405639 /nfs/dbraw/zinc/40/56/39/943405639.db2.gz JAXWXYHMFJPMNL-WMZOPIPTSA-N 2 1 363.571 3.540 20 0 FHADMP COc1ccc([C@H](C)C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436947 943415753 /nfs/dbraw/zinc/41/57/53/943415753.db2.gz HOORTFXOGVJAAJ-APWZRJJASA-N 2 1 371.550 3.900 20 0 FHADMP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000514971644 943424360 /nfs/dbraw/zinc/42/43/60/943424360.db2.gz ALNSWVFZSYKESB-JOCHJYFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000514971644 943424363 /nfs/dbraw/zinc/42/43/63/943424363.db2.gz ALNSWVFZSYKESB-JOCHJYFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000514971644 943424364 /nfs/dbraw/zinc/42/43/64/943424364.db2.gz ALNSWVFZSYKESB-JOCHJYFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000514971644 943424366 /nfs/dbraw/zinc/42/43/66/943424366.db2.gz ALNSWVFZSYKESB-JOCHJYFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423172249 943425328 /nfs/dbraw/zinc/42/53/28/943425328.db2.gz RYQVFUFTCKPBKB-YOEHRIQHSA-N 2 1 372.962 3.534 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)cc1 ZINC000503938393 943425990 /nfs/dbraw/zinc/42/59/90/943425990.db2.gz UFYJRVWQJCKRQY-RTBURBONSA-N 2 1 370.459 3.973 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)cs1 ZINC000423190277 943436383 /nfs/dbraw/zinc/43/63/83/943436383.db2.gz QWGBZRWUSSYTON-GFCCVEGCSA-N 2 1 354.317 3.736 20 0 FHADMP c1cc(C[N@H+](Cc2cccc3c2OCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000414725050 943452897 /nfs/dbraw/zinc/45/28/97/943452897.db2.gz UOODEPPQQDUGMQ-SFHVURJKSA-N 2 1 356.491 3.621 20 0 FHADMP c1cc(C[N@@H+](Cc2cccc3c2OCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000414725050 943452901 /nfs/dbraw/zinc/45/29/01/943452901.db2.gz UOODEPPQQDUGMQ-SFHVURJKSA-N 2 1 356.491 3.621 20 0 FHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423261258 943454309 /nfs/dbraw/zinc/45/43/09/943454309.db2.gz JGPAYKKCYZRKBR-OXQOHEQNSA-N 2 1 356.514 3.557 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000423293129 943466153 /nfs/dbraw/zinc/46/61/53/943466153.db2.gz PWAHKSCHWDUSCD-GHMZBOCLSA-N 2 1 352.251 3.854 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293907 943475228 /nfs/dbraw/zinc/47/52/28/943475228.db2.gz SMCQBKWONVNEKL-OALUTQOASA-N 2 1 351.538 3.892 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423323610 943480102 /nfs/dbraw/zinc/48/01/02/943480102.db2.gz IGFOMUILMDWZKT-NSHGMRRFSA-N 2 1 359.558 3.587 20 0 FHADMP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414733833 943482250 /nfs/dbraw/zinc/48/22/50/943482250.db2.gz KGSOCUWSMFLBTP-ZIAGYGMSSA-N 2 1 362.905 3.589 20 0 FHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515089418 943498487 /nfs/dbraw/zinc/49/84/87/943498487.db2.gz HDUBSMAIXBXHLI-FQEVSTJZSA-N 2 1 372.557 3.521 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3C[C@H]3c3cccs3)CC2)nc(C)[nH+]1 ZINC000417313835 943509816 /nfs/dbraw/zinc/50/98/16/943509816.db2.gz QCSBHCUZOJSOSM-JCGIZDLHSA-N 2 1 356.539 3.906 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507243 943532180 /nfs/dbraw/zinc/53/21/80/943532180.db2.gz JLMVQXVBHHIGFL-IRZJEQJZSA-N 2 1 366.553 3.660 20 0 FHADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423507200 943532393 /nfs/dbraw/zinc/53/23/93/943532393.db2.gz HUDCBXVJYSIYHD-AVRDEDQJSA-N 2 1 354.494 3.603 20 0 FHADMP c1ccc(C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423508569 943532417 /nfs/dbraw/zinc/53/24/17/943532417.db2.gz KUTSCXGRDMSKQD-VHYCJAOWSA-N 2 1 363.549 3.776 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533638 943540072 /nfs/dbraw/zinc/54/00/72/943540072.db2.gz YBUYCZVIUXPDJT-OPAUWTDSSA-N 2 1 367.581 3.640 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000423512594 943541335 /nfs/dbraw/zinc/54/13/35/943541335.db2.gz OUBGHERASWOQAD-IPJUCJBFSA-N 2 1 370.566 3.677 20 0 FHADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)c1 ZINC000423517369 943543307 /nfs/dbraw/zinc/54/33/07/943543307.db2.gz YEFJMPOXCLRQCA-MAKTXDPSSA-N 2 1 361.961 3.782 20 0 FHADMP Clc1cccc([C@H]2CC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)c1 ZINC000423517368 943543495 /nfs/dbraw/zinc/54/34/95/943543495.db2.gz YEFJMPOXCLRQCA-AFVILVPDSA-N 2 1 361.961 3.782 20 0 FHADMP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423519775 943544136 /nfs/dbraw/zinc/54/41/36/943544136.db2.gz DPQOPBBOGVEXSY-HUXGSGHJSA-N 2 1 367.581 3.640 20 0 FHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1OC(F)F ZINC000423520573 943544886 /nfs/dbraw/zinc/54/48/86/943544886.db2.gz RMOKFXQGPJPQNS-HTWSVDAQSA-N 2 1 367.484 3.545 20 0 FHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435691234 943559487 /nfs/dbraw/zinc/55/94/87/943559487.db2.gz FTVCRCJSYQBPCR-LJQANCHMSA-N 2 1 369.534 3.721 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417376555 943565249 /nfs/dbraw/zinc/56/52/49/943565249.db2.gz DOVMJIBMLMJGCK-UHFFFAOYSA-N 2 1 374.569 3.587 20 0 FHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414753908 943580977 /nfs/dbraw/zinc/58/09/77/943580977.db2.gz RIQMLMMWLXESMJ-FQEVSTJZSA-N 2 1 354.542 3.803 20 0 FHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414753908 943580982 /nfs/dbraw/zinc/58/09/82/943580982.db2.gz RIQMLMMWLXESMJ-FQEVSTJZSA-N 2 1 354.542 3.803 20 0 FHADMP Cc1ncc(CN2CCC[N@@H+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000435768665 943600211 /nfs/dbraw/zinc/60/02/11/943600211.db2.gz RKZVLTIAPIUQTN-UHFFFAOYSA-N 2 1 360.505 3.889 20 0 FHADMP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000504421752 943624916 /nfs/dbraw/zinc/62/49/16/943624916.db2.gz LGUPIIXWYZACCP-SFHVURJKSA-N 2 1 369.513 3.518 20 0 FHADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000504421752 943624920 /nfs/dbraw/zinc/62/49/20/943624920.db2.gz LGUPIIXWYZACCP-SFHVURJKSA-N 2 1 369.513 3.518 20 0 FHADMP CC1(C)C[N@@H+](Cc2cnccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584825252 943706685 /nfs/dbraw/zinc/70/66/85/943706685.db2.gz WGWJRBUGWSLHRH-NRFANRHFSA-N 2 1 350.510 3.599 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778000 943779340 /nfs/dbraw/zinc/77/93/40/943779340.db2.gz IUOPXOXIZRHQGC-HOTGVXAUSA-N 2 1 352.906 3.569 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000414904181 943800388 /nfs/dbraw/zinc/80/03/88/943800388.db2.gz NBVFGFJAZKKGDU-APWZRJJASA-N 2 1 369.513 3.788 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(C(=O)Nc3ccccc3)c1)CC[NH2+]CC2 ZINC000424286672 943819720 /nfs/dbraw/zinc/81/97/20/943819720.db2.gz HRHJOPDUSSGORK-GOSISDBHSA-N 2 1 363.505 3.903 20 0 FHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278652 943833388 /nfs/dbraw/zinc/83/33/88/943833388.db2.gz DSTJAXJOOCUCMG-JXFKEZNVSA-N 2 1 352.457 3.592 20 0 FHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278652 943833395 /nfs/dbraw/zinc/83/33/95/943833395.db2.gz DSTJAXJOOCUCMG-JXFKEZNVSA-N 2 1 352.457 3.592 20 0 FHADMP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846689 /nfs/dbraw/zinc/84/66/89/943846689.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 2 1 365.512 3.953 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414906454 943856525 /nfs/dbraw/zinc/85/65/25/943856525.db2.gz PQXYXVKLQMPHOL-PKOBYXMFSA-N 2 1 369.513 3.694 20 0 FHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424372893 943884113 /nfs/dbraw/zinc/88/41/13/943884113.db2.gz GBMORVPKXURRTE-HUUCEWRRSA-N 2 1 371.319 3.606 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000417878747 943920107 /nfs/dbraw/zinc/92/01/07/943920107.db2.gz PCERUGYDDXFDCE-FPOVZHCZSA-N 2 1 374.573 3.625 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305245 943930408 /nfs/dbraw/zinc/93/04/08/943930408.db2.gz JQRRMIPWKZYDQZ-YJBOKZPZSA-N 2 1 372.525 3.784 20 0 FHADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(Br)c1O ZINC000500041034 943994894 /nfs/dbraw/zinc/99/48/94/943994894.db2.gz QDHQTFWXKFJARE-UHFFFAOYSA-N 2 1 371.319 3.516 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000414879048 944039554 /nfs/dbraw/zinc/03/95/54/944039554.db2.gz OLHQMCLBRVXALM-MRXNPFEDSA-N 2 1 374.916 3.530 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000517146055 944043962 /nfs/dbraw/zinc/04/39/62/944043962.db2.gz XENOVGVYPYWMCA-OCCSQVGLSA-N 2 1 370.337 3.600 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000517146055 944043970 /nfs/dbraw/zinc/04/39/70/944043970.db2.gz XENOVGVYPYWMCA-OCCSQVGLSA-N 2 1 370.337 3.600 20 0 FHADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414809718 944064093 /nfs/dbraw/zinc/06/40/93/944064093.db2.gz MSXFARCERZEUKG-UHFFFAOYSA-N 2 1 351.235 3.658 20 0 FHADMP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CCO1 ZINC000664656071 944094062 /nfs/dbraw/zinc/09/40/62/944094062.db2.gz DKGWPEJASJSHAL-OAHLLOKOSA-N 2 1 367.415 3.801 20 0 FHADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882030 944221993 /nfs/dbraw/zinc/22/19/93/944221993.db2.gz BJIYYFRKBLVDJS-KPZWWZAWSA-N 2 1 363.299 3.697 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000414918764 944231973 /nfs/dbraw/zinc/23/19/73/944231973.db2.gz VDRCEDCEVJIIAK-IBGZPJMESA-N 2 1 369.513 3.694 20 0 FHADMP [NH3+]CCC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000517379114 944242823 /nfs/dbraw/zinc/24/28/23/944242823.db2.gz SQNDAIRAPMDZOL-UHFFFAOYSA-N 2 1 363.246 3.611 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474512 944303350 /nfs/dbraw/zinc/30/33/50/944303350.db2.gz NJCFZJPOFNIQNY-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474512 944303355 /nfs/dbraw/zinc/30/33/55/944303355.db2.gz NJCFZJPOFNIQNY-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474512 944303361 /nfs/dbraw/zinc/30/33/61/944303361.db2.gz NJCFZJPOFNIQNY-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474512 944303366 /nfs/dbraw/zinc/30/33/66/944303366.db2.gz NJCFZJPOFNIQNY-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000550161449 944305894 /nfs/dbraw/zinc/30/58/94/944305894.db2.gz LTBIMNMEVQKJRQ-RBUKOAKNSA-N 2 1 357.542 3.593 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000439077375 944309484 /nfs/dbraw/zinc/30/94/84/944309484.db2.gz KYXZSRQNDUENBW-INIZCTEOSA-N 2 1 361.530 3.959 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000439077375 944309492 /nfs/dbraw/zinc/30/94/92/944309492.db2.gz KYXZSRQNDUENBW-INIZCTEOSA-N 2 1 361.530 3.959 20 0 FHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC(F)F)cc1OC(F)F ZINC000425943058 944310817 /nfs/dbraw/zinc/31/08/17/944310817.db2.gz PMLQDVYWJJWFMG-WDEREUQCSA-N 2 1 352.372 3.738 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000439083493 944322863 /nfs/dbraw/zinc/32/28/63/944322863.db2.gz GWITXZDKGKLLIN-DLBZAZTESA-N 2 1 361.530 3.816 20 0 FHADMP COc1cc2[nH+]c(NCCC[N@@H+]3CCCC[C@@H]3C)ccc2c(OC)c1OC ZINC001167750773 944333477 /nfs/dbraw/zinc/33/34/77/944333477.db2.gz BRCLHJOACGXZID-HNNXBMFYSA-N 2 1 373.497 3.937 20 0 FHADMP COc1cc2[nH+]c(NCCC[N@H+]3CCCC[C@@H]3C)ccc2c(OC)c1OC ZINC001167750773 944333484 /nfs/dbraw/zinc/33/34/84/944333484.db2.gz BRCLHJOACGXZID-HNNXBMFYSA-N 2 1 373.497 3.937 20 0 FHADMP CC[N@@H+](CC[C@H]1CCOC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000438118863 944339505 /nfs/dbraw/zinc/33/95/05/944339505.db2.gz YQEYXYKEHWWMOT-SFHVURJKSA-N 2 1 360.546 3.626 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2cc(Br)ccn12 ZINC001167752288 944354357 /nfs/dbraw/zinc/35/43/57/944354357.db2.gz DGIXJICJKVPTKI-ZDUSSCGKSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1c[nH+]c2cc(Br)ccn12 ZINC001167752288 944354362 /nfs/dbraw/zinc/35/43/62/944354362.db2.gz DGIXJICJKVPTKI-ZDUSSCGKSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2cc(Br)ccn12 ZINC001167752287 944354855 /nfs/dbraw/zinc/35/48/55/944354855.db2.gz DGIXJICJKVPTKI-CYBMUJFWSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1c[nH+]c2cc(Br)ccn12 ZINC001167752287 944354860 /nfs/dbraw/zinc/35/48/60/944354860.db2.gz DGIXJICJKVPTKI-CYBMUJFWSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426285652 944356429 /nfs/dbraw/zinc/35/64/29/944356429.db2.gz CIFCJCAMKWEUSV-JBACZVJFSA-N 2 1 367.512 3.905 20 0 FHADMP Fc1ccccc1Cn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975893 944376394 /nfs/dbraw/zinc/37/63/94/944376394.db2.gz ZDYPFMPRDTZYSD-IHWFROFDSA-N 2 1 368.500 3.566 20 0 FHADMP Fc1ccccc1Cn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975893 944376403 /nfs/dbraw/zinc/37/64/03/944376403.db2.gz ZDYPFMPRDTZYSD-IHWFROFDSA-N 2 1 368.500 3.566 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)CC1 ZINC000550200263 944418630 /nfs/dbraw/zinc/41/86/30/944418630.db2.gz CPAPNBNOEJKZJR-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1)C1CC1 ZINC000150738189 944445636 /nfs/dbraw/zinc/44/56/36/944445636.db2.gz ZCLMBYHURZKUEA-OAQYLSRUSA-N 2 1 369.553 3.761 20 0 FHADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000518535841 944487767 /nfs/dbraw/zinc/48/77/67/944487767.db2.gz YBGPFEJMKFJDLO-CYBMUJFWSA-N 2 1 360.914 3.887 20 0 FHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000518535841 944487771 /nfs/dbraw/zinc/48/77/71/944487771.db2.gz YBGPFEJMKFJDLO-CYBMUJFWSA-N 2 1 360.914 3.887 20 0 FHADMP Cc1ccc(C)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167981934 944490636 /nfs/dbraw/zinc/49/06/36/944490636.db2.gz QEEFLBTUDMRAGU-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP Cc1ccc(C)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167981934 944490640 /nfs/dbraw/zinc/49/06/40/944490640.db2.gz QEEFLBTUDMRAGU-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP CC(C)[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000517688943 944500627 /nfs/dbraw/zinc/50/06/27/944500627.db2.gz MOGNXLYJCYWETN-WIYYLYMNSA-N 2 1 373.541 3.529 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000518763403 944712123 /nfs/dbraw/zinc/71/21/23/944712123.db2.gz ITNZPYLIZPVWCI-GASCZTMLSA-N 2 1 352.906 3.569 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000518763403 944712127 /nfs/dbraw/zinc/71/21/27/944712127.db2.gz ITNZPYLIZPVWCI-GASCZTMLSA-N 2 1 352.906 3.569 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414933790 944725346 /nfs/dbraw/zinc/72/53/46/944725346.db2.gz UUFOZZDTZOUTMD-BBRMVZONSA-N 2 1 371.447 3.790 20 0 FHADMP Cc1nc2ccc(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)cc2s1 ZINC000426415412 944743688 /nfs/dbraw/zinc/74/36/88/944743688.db2.gz DFRHWJAPKXWDGG-UHFFFAOYSA-N 2 1 372.582 3.595 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438568386 944803348 /nfs/dbraw/zinc/80/33/48/944803348.db2.gz JFYRTSFEQJIXQE-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC3CC[NH+](C)CC3)c2c1C ZINC000507016211 944864037 /nfs/dbraw/zinc/86/40/37/944864037.db2.gz WENBBSXCPJNBGQ-UHFFFAOYSA-N 2 1 373.570 3.658 20 0 FHADMP C(CCC[N@H+]1CCOCC2(CCC2)C1)CC[NH+]1CCOCC2(CCC2)C1 ZINC000759916235 944980118 /nfs/dbraw/zinc/98/01/18/944980118.db2.gz WTMPJXJHFHFOCQ-UHFFFAOYSA-N 2 1 364.574 3.552 20 0 FHADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414946080 944982224 /nfs/dbraw/zinc/98/22/24/944982224.db2.gz SLQMQNSELMOMHH-IFXJQAMLSA-N 2 1 357.885 3.680 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CSC)c2)[C@@H](C)C1 ZINC000437070120 945003936 /nfs/dbraw/zinc/00/39/36/945003936.db2.gz ALVIHMUPKQSCOD-FXAWDEMLSA-N 2 1 350.572 3.776 20 0 FHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000439844813 945024000 /nfs/dbraw/zinc/02/40/00/945024000.db2.gz WJPYWYGSOKGQJB-FPOVZHCZSA-N 2 1 361.574 3.508 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496383 945041306 /nfs/dbraw/zinc/04/13/06/945041306.db2.gz GXFLMYNNCYLCBR-KRWDZBQOSA-N 2 1 354.523 3.887 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496383 945041311 /nfs/dbraw/zinc/04/13/11/945041311.db2.gz GXFLMYNNCYLCBR-KRWDZBQOSA-N 2 1 354.523 3.887 20 0 FHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496383 945041319 /nfs/dbraw/zinc/04/13/19/945041319.db2.gz GXFLMYNNCYLCBR-KRWDZBQOSA-N 2 1 354.523 3.887 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440280469 945373120 /nfs/dbraw/zinc/37/31/20/945373120.db2.gz IQRRJAKXKJZCHV-CBQOVEMMSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280469 945373134 /nfs/dbraw/zinc/37/31/34/945373134.db2.gz IQRRJAKXKJZCHV-CBQOVEMMSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280469 945373144 /nfs/dbraw/zinc/37/31/44/945373144.db2.gz IQRRJAKXKJZCHV-CBQOVEMMSA-N 2 1 369.553 3.563 20 0 FHADMP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473879883 945574530 /nfs/dbraw/zinc/57/45/30/945574530.db2.gz URBJOUYRIGDGGV-PZJWPPBQSA-N 2 1 374.573 3.585 20 0 FHADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CCOCC1 ZINC000187772547 945590681 /nfs/dbraw/zinc/59/06/81/945590681.db2.gz QZYBSFPPHIMQQG-GCJKJVERSA-N 2 1 360.542 3.592 20 0 FHADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CCOCC1 ZINC000187772567 945591205 /nfs/dbraw/zinc/59/12/05/945591205.db2.gz QZYBSFPPHIMQQG-AVRDEDQJSA-N 2 1 360.542 3.592 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654535 945622421 /nfs/dbraw/zinc/62/24/21/945622421.db2.gz SRACPBTWHCIMTB-ZWKOTPCHSA-N 2 1 370.928 3.927 20 0 FHADMP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684263 /nfs/dbraw/zinc/68/42/63/945684263.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 2 1 363.496 3.703 20 0 FHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)o1 ZINC001167987978 945694923 /nfs/dbraw/zinc/69/49/23/945694923.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)o1 ZINC001167987978 945694933 /nfs/dbraw/zinc/69/49/33/945694933.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)o1 ZINC001167987978 945694942 /nfs/dbraw/zinc/69/49/42/945694942.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)o1 ZINC001167987978 945694950 /nfs/dbraw/zinc/69/49/50/945694950.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)o1 ZINC001167987978 945694957 /nfs/dbraw/zinc/69/49/57/945694957.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)o1 ZINC001167987978 945694968 /nfs/dbraw/zinc/69/49/68/945694968.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)o1 ZINC001167987978 945694976 /nfs/dbraw/zinc/69/49/76/945694976.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 1 369.553 3.642 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3OCc3ccncc3)C2)CC1 ZINC000519782252 945758548 /nfs/dbraw/zinc/75/85/48/945758548.db2.gz BTMOFKCUNPNBRG-NRFANRHFSA-N 2 1 365.521 3.824 20 0 FHADMP [NH3+]CCN(C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167970407 945777656 /nfs/dbraw/zinc/77/76/56/945777656.db2.gz JVQPNBNGNODWON-BMWZMXGFSA-N 2 1 357.586 3.621 20 0 FHADMP NCC[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167970407 945777661 /nfs/dbraw/zinc/77/76/61/945777661.db2.gz JVQPNBNGNODWON-BMWZMXGFSA-N 2 1 357.586 3.621 20 0 FHADMP NCC[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167970407 945777663 /nfs/dbraw/zinc/77/76/63/945777663.db2.gz JVQPNBNGNODWON-BMWZMXGFSA-N 2 1 357.586 3.621 20 0 FHADMP NCC[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167970407 945777669 /nfs/dbraw/zinc/77/76/69/945777669.db2.gz JVQPNBNGNODWON-BMWZMXGFSA-N 2 1 357.586 3.621 20 0 FHADMP NCC[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167970407 945777673 /nfs/dbraw/zinc/77/76/73/945777673.db2.gz JVQPNBNGNODWON-BMWZMXGFSA-N 2 1 357.586 3.621 20 0 FHADMP COc1cccc2c(NC3CC[NH+](CCOC(C)C)CC3)cc(C)[nH+]c12 ZINC000301651754 945895192 /nfs/dbraw/zinc/89/51/92/945895192.db2.gz GLBQUZXMGKWOHF-UHFFFAOYSA-N 2 1 357.498 3.853 20 0 FHADMP CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974303 945958460 /nfs/dbraw/zinc/95/84/60/945958460.db2.gz VEIRWBIJQSZZTD-AYHJJNSGSA-N 2 1 365.562 3.675 20 0 FHADMP CC(C)C(=O)NC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050982 945973340 /nfs/dbraw/zinc/97/33/40/945973340.db2.gz DZHLVHFHPYXJHO-HATOLVCRSA-N 2 1 371.569 3.665 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000522893115 946073375 /nfs/dbraw/zinc/07/33/75/946073375.db2.gz HWVYHOMZMOPUGE-RXVVDRJESA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000522893115 946073386 /nfs/dbraw/zinc/07/33/86/946073386.db2.gz HWVYHOMZMOPUGE-RXVVDRJESA-N 2 1 357.542 3.552 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825200 946075285 /nfs/dbraw/zinc/07/52/85/946075285.db2.gz FJCBFQKSRBRKSG-XMSQKQJNSA-N 2 1 369.553 3.724 20 0 FHADMP CCc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc(C)[nH+]1 ZINC000302059313 946101194 /nfs/dbraw/zinc/10/11/94/946101194.db2.gz SCUKMUUDUBBPPJ-MRXNPFEDSA-N 2 1 354.498 3.659 20 0 FHADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661453292 946122363 /nfs/dbraw/zinc/12/23/63/946122363.db2.gz BNGWLOWSWTWTNM-WAOWUJCRSA-N 2 1 356.510 3.790 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000520122791 946171936 /nfs/dbraw/zinc/17/19/36/946171936.db2.gz XWKDTOCIUUIGGI-OALUTQOASA-N 2 1 359.539 3.550 20 0 FHADMP CC[N@H+](CCC[NH2+]Cc1cn(C)nc1-c1cccnc1)C1CCCCC1 ZINC000651909588 946239048 /nfs/dbraw/zinc/23/90/48/946239048.db2.gz PNLFMSBMCWCITB-UHFFFAOYSA-N 2 1 355.530 3.616 20 0 FHADMP CC[N@@H+](CCC[NH2+]Cc1cn(C)nc1-c1cccnc1)C1CCCCC1 ZINC000651909588 946239062 /nfs/dbraw/zinc/23/90/62/946239062.db2.gz PNLFMSBMCWCITB-UHFFFAOYSA-N 2 1 355.530 3.616 20 0 FHADMP C[C@@H](c1ccc2ccccc2c1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000514111537 946260277 /nfs/dbraw/zinc/26/02/77/946260277.db2.gz RJRPFDSATOUILI-SFHVURJKSA-N 2 1 365.521 3.529 20 0 FHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000514111537 946260287 /nfs/dbraw/zinc/26/02/87/946260287.db2.gz RJRPFDSATOUILI-SFHVURJKSA-N 2 1 365.521 3.529 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185843 946306885 /nfs/dbraw/zinc/30/68/85/946306885.db2.gz BLSTXHCXIPNDKU-FCEUIQTBSA-N 2 1 374.569 3.937 20 0 FHADMP C[C@@H]1CC([N@H+]2CC[C@@H](Oc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056012 946320842 /nfs/dbraw/zinc/32/08/42/946320842.db2.gz ZWTQOSCBSVSWOA-DNVFCKCGSA-N 2 1 365.521 3.976 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595619635 946322719 /nfs/dbraw/zinc/32/27/19/946322719.db2.gz ZZXUMFLNTLKDQY-LJQANCHMSA-N 2 1 355.482 3.523 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595619635 946322734 /nfs/dbraw/zinc/32/27/34/946322734.db2.gz ZZXUMFLNTLKDQY-LJQANCHMSA-N 2 1 355.482 3.523 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(O)cc2)CC1 ZINC000520289247 946354192 /nfs/dbraw/zinc/35/41/92/946354192.db2.gz BAXCQUDPHVESCM-UHFFFAOYSA-N 2 1 353.510 3.556 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000520290343 946366044 /nfs/dbraw/zinc/36/60/44/946366044.db2.gz GNPBNBJYXWXTJH-UYAOXDASSA-N 2 1 357.542 3.641 20 0 FHADMP C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487457 946424588 /nfs/dbraw/zinc/42/45/88/946424588.db2.gz JWVLENDEUWKSGJ-OLZOCXBDSA-N 2 1 361.477 3.991 20 0 FHADMP C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487457 946424598 /nfs/dbraw/zinc/42/45/98/946424598.db2.gz JWVLENDEUWKSGJ-OLZOCXBDSA-N 2 1 361.477 3.991 20 0 FHADMP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Br ZINC000475130816 946439607 /nfs/dbraw/zinc/43/96/07/946439607.db2.gz PNGJLPCUOCUDIS-UHFFFAOYSA-N 2 1 353.304 3.518 20 0 FHADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1Br ZINC000475130816 946439611 /nfs/dbraw/zinc/43/96/11/946439611.db2.gz PNGJLPCUOCUDIS-UHFFFAOYSA-N 2 1 353.304 3.518 20 0 FHADMP Cc1ccccc1-c1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000441330261 946461100 /nfs/dbraw/zinc/46/11/00/946461100.db2.gz LKDWAHXSQNREBK-UHFFFAOYSA-N 2 1 351.538 3.778 20 0 FHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441350160 946503125 /nfs/dbraw/zinc/50/31/25/946503125.db2.gz QKBTUFPTNWDHIE-UHFFFAOYSA-N 2 1 359.489 3.510 20 0 FHADMP C[C@H](OC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363694 946510204 /nfs/dbraw/zinc/51/02/04/946510204.db2.gz KBPDXUVWWCEBHP-VDGAXYAQSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000441363694 946510208 /nfs/dbraw/zinc/51/02/08/946510208.db2.gz KBPDXUVWWCEBHP-VDGAXYAQSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000441363694 946510216 /nfs/dbraw/zinc/51/02/16/946510216.db2.gz KBPDXUVWWCEBHP-VDGAXYAQSA-N 2 1 368.949 3.585 20 0 FHADMP CC[N@@H+](CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000652236929 946514889 /nfs/dbraw/zinc/51/48/89/946514889.db2.gz CYOXVUHJCVHLCL-UHFFFAOYSA-N 2 1 350.469 3.857 20 0 FHADMP CCOc1cc2[nH+]ccc(NCC(C)(C)[NH+]3CCOCC3)c2cc1OCC ZINC000303307702 946548964 /nfs/dbraw/zinc/54/89/64/946548964.db2.gz RFNVPXKEPFOKSD-UHFFFAOYSA-N 2 1 373.497 3.555 20 0 FHADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410305 946563725 /nfs/dbraw/zinc/56/37/25/946563725.db2.gz LBGFVPSCOQJEAM-XMSQKQJNSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441410305 946563729 /nfs/dbraw/zinc/56/37/29/946563729.db2.gz LBGFVPSCOQJEAM-XMSQKQJNSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441410305 946563739 /nfs/dbraw/zinc/56/37/39/946563739.db2.gz LBGFVPSCOQJEAM-XMSQKQJNSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410294 946564299 /nfs/dbraw/zinc/56/42/99/946564299.db2.gz LBGFVPSCOQJEAM-AVRDEDQJSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441410294 946564305 /nfs/dbraw/zinc/56/43/05/946564305.db2.gz LBGFVPSCOQJEAM-AVRDEDQJSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441410294 946564313 /nfs/dbraw/zinc/56/43/13/946564313.db2.gz LBGFVPSCOQJEAM-AVRDEDQJSA-N 2 1 358.526 3.803 20 0 FHADMP C[C@@H]1C[C@@H](n2cncc2C2CC[NH2+]CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058075 946595585 /nfs/dbraw/zinc/59/55/85/946595585.db2.gz AVBDVVYCJPAPCI-RMFSNUHRSA-N 2 1 352.526 3.964 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058817 946629455 /nfs/dbraw/zinc/62/94/55/946629455.db2.gz CNTSRWUPKWDPAF-JLVQQBGISA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058817 946629459 /nfs/dbraw/zinc/62/94/59/946629459.db2.gz CNTSRWUPKWDPAF-JLVQQBGISA-N 2 1 370.537 3.702 20 0 FHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545897 946656395 /nfs/dbraw/zinc/65/63/95/946656395.db2.gz OBNMWGTVDLGRPQ-FCHUYYIVSA-N 2 1 365.521 3.625 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164525841 946700137 /nfs/dbraw/zinc/70/01/37/946700137.db2.gz UQIIWTHWSPNSIT-OAQYLSRUSA-N 2 1 364.493 3.812 20 0 FHADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000475225876 946734906 /nfs/dbraw/zinc/73/49/06/946734906.db2.gz VLHLBQYDGVZYRD-FPOVZHCZSA-N 2 1 350.506 3.664 20 0 FHADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000475224251 946746835 /nfs/dbraw/zinc/74/68/35/946746835.db2.gz MWDXNQXPFJEGCU-OAQYLSRUSA-N 2 1 352.526 3.538 20 0 FHADMP Clc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000475280314 946801276 /nfs/dbraw/zinc/80/12/76/946801276.db2.gz PUFWVILDMZQNFB-KRWDZBQOSA-N 2 1 354.885 3.599 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284925 946823583 /nfs/dbraw/zinc/82/35/83/946823583.db2.gz KTMSXHYHCJRXAK-NVXWUHKLSA-N 2 1 355.448 3.601 20 0 FHADMP c1cn(-c2csc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cn1 ZINC000475285813 946824639 /nfs/dbraw/zinc/82/46/39/946824639.db2.gz HRXJJQUCPGRSAL-SFHVURJKSA-N 2 1 352.507 3.546 20 0 FHADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564781 946840886 /nfs/dbraw/zinc/84/08/86/946840886.db2.gz IVSSUFGHBCVZTM-LJQANCHMSA-N 2 1 357.542 3.910 20 0 FHADMP Cc1[nH+]c(N)ccc1CNc1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001167784778 946876306 /nfs/dbraw/zinc/87/63/06/946876306.db2.gz CKVMERFRJKEZMG-UHFFFAOYSA-N 2 1 359.477 3.538 20 0 FHADMP Cc1[nH+]c(N)ccc1CNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001167784778 946876318 /nfs/dbraw/zinc/87/63/18/946876318.db2.gz CKVMERFRJKEZMG-UHFFFAOYSA-N 2 1 359.477 3.538 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348639 946886483 /nfs/dbraw/zinc/88/64/83/946886483.db2.gz LRBCQKUDLMBHTN-MQSCRBSSSA-N 2 1 368.521 3.827 20 0 FHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349622 946890868 /nfs/dbraw/zinc/89/08/68/946890868.db2.gz VWEGSEIOUWECAQ-QXCFHYIPSA-N 2 1 355.482 3.621 20 0 FHADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348334 946891491 /nfs/dbraw/zinc/89/14/91/946891491.db2.gz AKINCVYAMWZISW-CZTZKLFOSA-N 2 1 374.569 3.971 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)C1 ZINC000652348592 946893741 /nfs/dbraw/zinc/89/37/41/946893741.db2.gz JIFXUOVZGFREPS-MQSCRBSSSA-N 2 1 352.522 3.991 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360706 946927811 /nfs/dbraw/zinc/92/78/11/946927811.db2.gz OGUJMXUNENAKCN-XOKHGSTOSA-N 2 1 373.324 3.733 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000475353979 946933597 /nfs/dbraw/zinc/93/35/97/946933597.db2.gz GYEYQOVEKGLSDD-INIZCTEOSA-N 2 1 351.535 3.856 20 0 FHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000511918486 946975110 /nfs/dbraw/zinc/97/51/10/946975110.db2.gz FIZKVAGGGQTZQF-NRFANRHFSA-N 2 1 372.557 3.711 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978839 947023381 /nfs/dbraw/zinc/02/33/81/947023381.db2.gz ZCYFWNWTTIOVGO-SJORKVTESA-N 2 1 374.916 3.644 20 0 FHADMP C[C@@H]1CC(N2CC[N@@H+](C)CC23CCCC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064009 947030140 /nfs/dbraw/zinc/03/01/40/947030140.db2.gz GUSPQQNDGWPTDD-WOJBJXKFSA-N 2 1 355.570 3.988 20 0 FHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH+](C)C)cc3C)CC2)[nH+]c1 ZINC000909606474 947041153 /nfs/dbraw/zinc/04/11/53/947041153.db2.gz FNLZHMUVABIQQX-UHFFFAOYSA-N 2 1 366.509 3.615 20 0 FHADMP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000631654628 947046823 /nfs/dbraw/zinc/04/68/23/947046823.db2.gz DKRMYDWONAVKOG-MOPGFXCFSA-N 2 1 352.881 3.773 20 0 FHADMP C[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064601 947065196 /nfs/dbraw/zinc/06/51/96/947065196.db2.gz QNMYDIKOZQEAOE-RMFSNUHRSA-N 2 1 359.533 3.546 20 0 FHADMP CCC(CC)(CC)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825090421 947075112 /nfs/dbraw/zinc/07/51/12/947075112.db2.gz YWSSYKMDQOFYTL-UHFFFAOYSA-N 2 1 370.545 3.637 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918519 947105444 /nfs/dbraw/zinc/10/54/44/947105444.db2.gz IICMEETVRSXQCO-AZUAARDMSA-N 2 1 351.494 3.515 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918495 947106102 /nfs/dbraw/zinc/10/61/02/947106102.db2.gz IICMEETVRSXQCO-ICSRJNTNSA-N 2 1 351.494 3.515 20 0 FHADMP COC(=O)CC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000599024437 947211685 /nfs/dbraw/zinc/21/16/85/947211685.db2.gz QFLTVDGMBKOMQX-UHFFFAOYSA-N 2 1 359.445 3.531 20 0 FHADMP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC000301190240 947225358 /nfs/dbraw/zinc/22/53/58/947225358.db2.gz LKKIDTVWXWOROC-UHFFFAOYSA-N 2 1 354.841 3.618 20 0 FHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000248519136 947291548 /nfs/dbraw/zinc/29/15/48/947291548.db2.gz QITITJXGYQPUJJ-KGLIPLIRSA-N 2 1 355.320 3.926 20 0 FHADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000252198993 947356041 /nfs/dbraw/zinc/35/60/41/947356041.db2.gz SWIPYEFOGIEWFS-DENIHFKCSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252198993 947356051 /nfs/dbraw/zinc/35/60/51/947356051.db2.gz SWIPYEFOGIEWFS-DENIHFKCSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000252198993 947356063 /nfs/dbraw/zinc/35/60/63/947356063.db2.gz SWIPYEFOGIEWFS-DENIHFKCSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189349414 947697314 /nfs/dbraw/zinc/69/73/14/947697314.db2.gz MVCIMMHLXKGZGV-IBGZPJMESA-N 2 1 358.505 3.528 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189349414 947697321 /nfs/dbraw/zinc/69/73/21/947697321.db2.gz MVCIMMHLXKGZGV-IBGZPJMESA-N 2 1 358.505 3.528 20 0 FHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274755 947698547 /nfs/dbraw/zinc/69/85/47/947698547.db2.gz WROCSANSXBNTON-ZWKOTPCHSA-N 2 1 355.482 3.562 20 0 FHADMP FC(F)Oc1cccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662279854 947700332 /nfs/dbraw/zinc/70/03/32/947700332.db2.gz MNIRWOZRFKFLJP-HXUWFJFHSA-N 2 1 374.431 3.507 20 0 FHADMP FC(F)Oc1cccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662279854 947700334 /nfs/dbraw/zinc/70/03/34/947700334.db2.gz MNIRWOZRFKFLJP-HXUWFJFHSA-N 2 1 374.431 3.507 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293686 947716811 /nfs/dbraw/zinc/71/68/11/947716811.db2.gz IDPGZSTVERWCCI-QGZVFWFLSA-N 2 1 363.933 3.607 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293686 947716814 /nfs/dbraw/zinc/71/68/14/947716814.db2.gz IDPGZSTVERWCCI-QGZVFWFLSA-N 2 1 363.933 3.607 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313248 947738681 /nfs/dbraw/zinc/73/86/81/947738681.db2.gz HVBHRCQEHJHSNZ-MDZRGWNJSA-N 2 1 365.587 3.791 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1CCC[NH3+] ZINC000662313446 947747681 /nfs/dbraw/zinc/74/76/81/947747681.db2.gz OMKBPUZKVGBYAJ-MLGOLLRUSA-N 2 1 358.313 3.771 20 0 FHADMP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662319670 947749406 /nfs/dbraw/zinc/74/94/06/947749406.db2.gz PQOIIDHVJLZXMF-GFCCVEGCSA-N 2 1 370.419 3.735 20 0 FHADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662319670 947749414 /nfs/dbraw/zinc/74/94/14/947749414.db2.gz PQOIIDHVJLZXMF-GFCCVEGCSA-N 2 1 370.419 3.735 20 0 FHADMP Cc1ccc(C)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327253 947752399 /nfs/dbraw/zinc/75/23/99/947752399.db2.gz HINDJZJCTLGDDJ-UHFFFAOYSA-N 2 1 352.526 3.873 20 0 FHADMP COc1cccc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326951 947758254 /nfs/dbraw/zinc/75/82/54/947758254.db2.gz HTHKPPJOIRIENK-MRXNPFEDSA-N 2 1 368.525 3.826 20 0 FHADMP CCc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326894 947758404 /nfs/dbraw/zinc/75/84/04/947758404.db2.gz GQWIZMYJSMDQMD-UHFFFAOYSA-N 2 1 352.526 3.819 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344123 947807241 /nfs/dbraw/zinc/80/72/41/947807241.db2.gz OMPOBLVEGVBEJG-GOSISDBHSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344123 947807250 /nfs/dbraw/zinc/80/72/50/947807250.db2.gz OMPOBLVEGVBEJG-GOSISDBHSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344123 947807260 /nfs/dbraw/zinc/80/72/60/947807260.db2.gz OMPOBLVEGVBEJG-GOSISDBHSA-N 2 1 356.489 3.531 20 0 FHADMP Fc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663347717 947819656 /nfs/dbraw/zinc/81/96/56/947819656.db2.gz TXHAKXWDSHZAAX-HNNXBMFYSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000663347717 947819665 /nfs/dbraw/zinc/81/96/65/947819665.db2.gz TXHAKXWDSHZAAX-HNNXBMFYSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663347717 947819673 /nfs/dbraw/zinc/81/96/73/947819673.db2.gz TXHAKXWDSHZAAX-HNNXBMFYSA-N 2 1 355.295 3.800 20 0 FHADMP Clc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663347635 947820274 /nfs/dbraw/zinc/82/02/74/947820274.db2.gz QWBZFTIJVZBODP-QGZVFWFLSA-N 2 1 358.917 3.737 20 0 FHADMP Clc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663347635 947820281 /nfs/dbraw/zinc/82/02/81/947820281.db2.gz QWBZFTIJVZBODP-QGZVFWFLSA-N 2 1 358.917 3.737 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000662467807 947833043 /nfs/dbraw/zinc/83/30/43/947833043.db2.gz GTTAFJLOLKQITI-HLAWJBBLSA-N 2 1 359.558 3.509 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662526928 947895856 /nfs/dbraw/zinc/89/58/56/947895856.db2.gz NKDXBQRTCOLNNL-HRQSHJORSA-N 2 1 369.553 3.543 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000511978007 947973110 /nfs/dbraw/zinc/97/31/10/947973110.db2.gz ROLANFLVRBBGBV-IBGZPJMESA-N 2 1 359.558 3.769 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2)C1 ZINC000662675622 947974135 /nfs/dbraw/zinc/97/41/35/947974135.db2.gz NUCYRNIZNDFCKW-QGZVFWFLSA-N 2 1 363.505 3.817 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675355 947976346 /nfs/dbraw/zinc/97/63/46/947976346.db2.gz LXTQXOMZSMUNGI-KSSFIOAISA-N 2 1 369.431 3.542 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466157 948050740 /nfs/dbraw/zinc/05/07/40/948050740.db2.gz ORJSBZIRQRZNBY-REWPJTCUSA-N 2 1 369.597 3.794 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466157 948050744 /nfs/dbraw/zinc/05/07/44/948050744.db2.gz ORJSBZIRQRZNBY-REWPJTCUSA-N 3 1 369.597 3.794 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466157 948050755 /nfs/dbraw/zinc/05/07/55/948050755.db2.gz ORJSBZIRQRZNBY-REWPJTCUSA-N 3 1 369.597 3.794 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466778 948058306 /nfs/dbraw/zinc/05/83/06/948058306.db2.gz ACFHXXORCUQQTB-ICSRJNTNSA-N 2 1 357.542 3.732 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001167821184 948075520 /nfs/dbraw/zinc/07/55/20/948075520.db2.gz CKAIDTQGCYMLJM-CEWLAPEOSA-N 2 1 357.542 3.767 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821585 948080138 /nfs/dbraw/zinc/08/01/38/948080138.db2.gz DWCPVVOIBQMVEK-GGAORHGYSA-N 2 1 373.585 3.868 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001167825372 948120252 /nfs/dbraw/zinc/12/02/52/948120252.db2.gz JYAPBBAKEGAXAM-KRWDZBQOSA-N 2 1 372.513 3.517 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825727 948126892 /nfs/dbraw/zinc/12/68/92/948126892.db2.gz SRIZNBIDYLSIIK-RBUKOAKNSA-N 3 1 353.595 3.509 20 0 FHADMP CC1CC[NH+](Cc2cccc(CNCc3ncc(C[NH+](C)C)s3)c2)CC1 ZINC000511996807 948127661 /nfs/dbraw/zinc/12/76/61/948127661.db2.gz LOIJJAQJYKXKFJ-UHFFFAOYSA-N 2 1 372.582 3.726 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@H+]2C[C@@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826735 948135974 /nfs/dbraw/zinc/13/59/74/948135974.db2.gz QXEQXGBMKHCLQP-FUDKSRODSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN2C[C@@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826735 948135983 /nfs/dbraw/zinc/13/59/83/948135983.db2.gz QXEQXGBMKHCLQP-FUDKSRODSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN2C[C@@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826735 948135990 /nfs/dbraw/zinc/13/59/90/948135990.db2.gz QXEQXGBMKHCLQP-FUDKSRODSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001167827527 948151784 /nfs/dbraw/zinc/15/17/84/948151784.db2.gz TYICLLNECZSNTG-GOSISDBHSA-N 2 1 362.562 3.526 20 0 FHADMP CSC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925786616 948168819 /nfs/dbraw/zinc/16/88/19/948168819.db2.gz XECBGRNJHOJONP-KGLIPLIRSA-N 2 1 368.415 3.944 20 0 FHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1Oc1cccnc1 ZINC000432349726 948189714 /nfs/dbraw/zinc/18/97/14/948189714.db2.gz AMBIPDCWKHWEFF-LJQANCHMSA-N 2 1 369.509 3.773 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000432352168 948198142 /nfs/dbraw/zinc/19/81/42/948198142.db2.gz WDMRJAZZXOXDBY-ZDUSSCGKSA-N 2 1 364.839 3.949 20 0 FHADMP COc1ccccc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432368254 948236727 /nfs/dbraw/zinc/23/67/27/948236727.db2.gz PCPSVMGGBCIMEG-IBGZPJMESA-N 2 1 368.521 3.953 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045626 948297045 /nfs/dbraw/zinc/29/70/45/948297045.db2.gz NUMPEZXBHRXQRQ-IEBWSBKVSA-N 3 1 372.582 3.595 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2ccccc2F)cc1F ZINC000585811753 948372050 /nfs/dbraw/zinc/37/20/50/948372050.db2.gz DDFSQSVCPOYWIB-UHFFFAOYSA-N 2 1 370.403 3.577 20 0 FHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419957 948380792 /nfs/dbraw/zinc/38/07/92/948380792.db2.gz HKMXAQZSMJSVSS-HOTGVXAUSA-N 2 1 354.922 3.890 20 0 FHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419957 948380795 /nfs/dbraw/zinc/38/07/95/948380795.db2.gz HKMXAQZSMJSVSS-HOTGVXAUSA-N 2 1 354.922 3.890 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367457 948386817 /nfs/dbraw/zinc/38/68/17/948386817.db2.gz WLXXRQMITUKXHR-DLBZAZTESA-N 2 1 358.530 3.695 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000512089818 948393045 /nfs/dbraw/zinc/39/30/45/948393045.db2.gz SYTMSTSZWFQTDQ-UHFFFAOYSA-N 2 1 363.505 3.860 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428175 948395966 /nfs/dbraw/zinc/39/59/66/948395966.db2.gz IXKCIFCLEFQIDH-CABCVRRESA-N 2 1 360.420 3.737 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428175 948395968 /nfs/dbraw/zinc/39/59/68/948395968.db2.gz IXKCIFCLEFQIDH-CABCVRRESA-N 2 1 360.420 3.737 20 0 FHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374751 948422578 /nfs/dbraw/zinc/42/25/78/948422578.db2.gz YRFSCSKDHLRIMY-MJGOQNOKSA-N 2 1 352.526 3.932 20 0 FHADMP COc1ccccc1SC[C@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512118968 948469726 /nfs/dbraw/zinc/46/97/26/948469726.db2.gz AESOJUADVZUAKQ-CQSZACIVSA-N 2 1 365.568 3.731 20 0 FHADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000663657941 948475767 /nfs/dbraw/zinc/47/57/67/948475767.db2.gz NJTRUUIMWXHRJE-UHFFFAOYSA-N 2 1 351.450 3.719 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1 ZINC000512176569 948661847 /nfs/dbraw/zinc/66/18/47/948661847.db2.gz BBFMAKUUIUCTSY-GJZGRUSLSA-N 2 1 354.897 3.800 20 0 FHADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)CC2 ZINC000162739868 948763108 /nfs/dbraw/zinc/76/31/08/948763108.db2.gz AWEUAKHWDYGOOX-NRFANRHFSA-N 2 1 369.509 3.789 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452849 948791627 /nfs/dbraw/zinc/79/16/27/948791627.db2.gz UGXJZZPHBBIXED-GASCZTMLSA-N 2 1 360.420 3.564 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1)C1CC[NH+](C)CC1 ZINC000428402884 948812358 /nfs/dbraw/zinc/81/23/58/948812358.db2.gz PNPQABJUGBGJSC-JOCHJYFZSA-N 2 1 371.569 3.608 20 0 FHADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194441 567949484 /nfs/dbraw/zinc/94/94/84/567949484.db2.gz IJKVLPVHYGWFQX-NRFANRHFSA-N 2 1 369.553 3.633 20 0 FHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104494 567963800 /nfs/dbraw/zinc/96/38/00/567963800.db2.gz XCRUKAUTFWWNRA-MOPGFXCFSA-N 2 1 360.542 3.978 20 0 FHADMP C[C@]12CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]1C2(F)F ZINC000644835201 568010115 /nfs/dbraw/zinc/01/01/15/568010115.db2.gz XGDGVGIIEQLLON-MOPGFXCFSA-N 2 1 350.453 3.638 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135879 568274421 /nfs/dbraw/zinc/27/44/21/568274421.db2.gz VLNCUCRQCLVIJF-SJORKVTESA-N 2 1 357.523 3.640 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000604418434 568276202 /nfs/dbraw/zinc/27/62/02/568276202.db2.gz YWXZXTYDTWURMD-YJBOKZPZSA-N 2 1 369.347 3.676 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000317206214 568501745 /nfs/dbraw/zinc/50/17/45/568501745.db2.gz ZLCMNLFCQBPJQM-AWEZNQCLSA-N 2 1 362.315 3.817 20 0 FHADMP CC1(C)C[NH+](Cc2ccccc2C[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999108 568512500 /nfs/dbraw/zinc/51/25/00/568512500.db2.gz NCUSLOOOXBMKRC-UHFFFAOYSA-N 2 1 360.542 3.688 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820437846 599367615 /nfs/dbraw/zinc/36/76/15/599367615.db2.gz DVTOZXLCONAAGQ-INIZCTEOSA-N 2 1 364.497 3.558 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822477085 607087098 /nfs/dbraw/zinc/08/70/98/607087098.db2.gz FXEGQNNWGPZXSM-HUUCEWRRSA-N 2 1 373.464 3.773 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164681834 719614773 /nfs/dbraw/zinc/61/47/73/719614773.db2.gz AZOMOYNXQISQBY-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164681834 719614786 /nfs/dbraw/zinc/61/47/86/719614786.db2.gz AZOMOYNXQISQBY-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812601 720144296 /nfs/dbraw/zinc/14/42/96/720144296.db2.gz PIMSNJSGNBRZDL-NZQKXSOJSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812601 720144301 /nfs/dbraw/zinc/14/43/01/720144301.db2.gz PIMSNJSGNBRZDL-NZQKXSOJSA-N 2 1 365.521 3.728 20 0 FHADMP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001164837000 720716229 /nfs/dbraw/zinc/71/62/29/720716229.db2.gz CPEVTTFQELDBRT-OAQYLSRUSA-N 2 1 365.521 3.958 20 0 FHADMP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026116 721811117 /nfs/dbraw/zinc/81/11/17/721811117.db2.gz PGAAMVMZFWNBRV-DZFGPLHGSA-N 2 1 366.509 3.612 20 0 FHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164940171 721931941 /nfs/dbraw/zinc/93/19/41/721931941.db2.gz RBJMCSKEUAOVMF-UHFFFAOYSA-N 2 1 365.521 3.878 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)C[C@@H]1c1ccccc1 ZINC000583015272 936368855 /nfs/dbraw/zinc/36/88/55/936368855.db2.gz VGAYWQYBMCRFDB-SLFFLAALSA-N 2 1 360.567 3.856 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)C[C@@H]1c1ccccc1 ZINC000583015272 936368857 /nfs/dbraw/zinc/36/88/57/936368857.db2.gz VGAYWQYBMCRFDB-SLFFLAALSA-N 2 1 360.567 3.856 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000583025056 936376588 /nfs/dbraw/zinc/37/65/88/936376588.db2.gz OVPJOZHHHIFQJP-GOSISDBHSA-N 2 1 370.468 3.805 20 0 FHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1CCCCC1 ZINC000044715220 927289999 /nfs/dbraw/zinc/28/99/99/927289999.db2.gz QXSXWVZOQQSDQB-IBGZPJMESA-N 2 1 371.569 3.668 20 0 FHADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546184 927423617 /nfs/dbraw/zinc/42/36/17/927423617.db2.gz KBQSWVNGLLYROV-HOCLYGCPSA-N 2 1 365.315 3.927 20 0 FHADMP CC[NH+](CC)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001167062069 927841016 /nfs/dbraw/zinc/84/10/16/927841016.db2.gz GIWLQQILRZKGQK-UHFFFAOYSA-N 2 1 355.567 3.878 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)CC1 ZINC000655016624 927855355 /nfs/dbraw/zinc/85/53/55/927855355.db2.gz ZFRUGRGDTQARHI-UHFFFAOYSA-N 2 1 368.525 3.611 20 0 FHADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591501 927966778 /nfs/dbraw/zinc/96/67/78/927966778.db2.gz NHCGRHMKTYPHDM-VQIMIIECSA-N 2 1 369.475 3.521 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123597364 928054051 /nfs/dbraw/zinc/05/40/51/928054051.db2.gz HHGQTNOURWEPBB-OLZOCXBDSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123597364 928054067 /nfs/dbraw/zinc/05/40/67/928054067.db2.gz HHGQTNOURWEPBB-OLZOCXBDSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123597364 928054081 /nfs/dbraw/zinc/05/40/81/928054081.db2.gz HHGQTNOURWEPBB-OLZOCXBDSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123597364 928054094 /nfs/dbraw/zinc/05/40/94/928054094.db2.gz HHGQTNOURWEPBB-OLZOCXBDSA-N 2 1 358.313 3.737 20 0 FHADMP CC(C)[NH+](CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(C)C ZINC000467762339 928066097 /nfs/dbraw/zinc/06/60/97/928066097.db2.gz AITOZNCPCQLCFM-UHFFFAOYSA-N 2 1 371.319 3.776 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3ccccc3C)CC2)CC1 ZINC000655112800 928160646 /nfs/dbraw/zinc/16/06/46/928160646.db2.gz KCGZCGOFRNSXLL-UHFFFAOYSA-N 2 1 371.569 3.543 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606062 928231843 /nfs/dbraw/zinc/23/18/43/928231843.db2.gz DOJPFIIXPABUIJ-GHTZIAJQSA-N 2 1 365.562 3.584 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606062 928231856 /nfs/dbraw/zinc/23/18/56/928231856.db2.gz DOJPFIIXPABUIJ-GHTZIAJQSA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606062 928231867 /nfs/dbraw/zinc/23/18/67/928231867.db2.gz DOJPFIIXPABUIJ-GHTZIAJQSA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606062 928231874 /nfs/dbraw/zinc/23/18/74/928231874.db2.gz DOJPFIIXPABUIJ-GHTZIAJQSA-N 2 1 365.562 3.584 20 0 FHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612463 928249557 /nfs/dbraw/zinc/24/95/57/928249557.db2.gz AOFAPFHZOZWTLY-NRFANRHFSA-N 2 1 366.505 3.817 20 0 FHADMP COC(=O)c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612463 928249582 /nfs/dbraw/zinc/24/95/82/928249582.db2.gz AOFAPFHZOZWTLY-NRFANRHFSA-N 2 1 366.505 3.817 20 0 FHADMP COC(=O)c1ccc(C[NH+](Cc2ccccc2)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612463 928249591 /nfs/dbraw/zinc/24/95/91/928249591.db2.gz AOFAPFHZOZWTLY-NRFANRHFSA-N 2 1 366.505 3.817 20 0 FHADMP COC(=O)c1ccc(C[NH+](Cc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612463 928249601 /nfs/dbraw/zinc/24/96/01/928249601.db2.gz AOFAPFHZOZWTLY-NRFANRHFSA-N 2 1 366.505 3.817 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000063255096 928401977 /nfs/dbraw/zinc/40/19/77/928401977.db2.gz GFCHIJHCBMFEJI-OAHLLOKOSA-N 2 1 371.554 3.553 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+](C4CC4)C3)c2c1C ZINC000063255096 928401985 /nfs/dbraw/zinc/40/19/85/928401985.db2.gz GFCHIJHCBMFEJI-OAHLLOKOSA-N 2 1 371.554 3.553 20 0 FHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C[N@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000579844482 928406448 /nfs/dbraw/zinc/40/64/48/928406448.db2.gz CAFAOEAKWZUECL-QFBILLFUSA-N 2 1 366.509 3.767 20 0 FHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000579844482 928406460 /nfs/dbraw/zinc/40/64/60/928406460.db2.gz CAFAOEAKWZUECL-QFBILLFUSA-N 2 1 366.509 3.767 20 0 FHADMP c1nc(C2CC2)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000583236424 937261565 /nfs/dbraw/zinc/26/15/65/937261565.db2.gz XAOXAUGGLYATJG-RBUKOAKNSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000583236424 937261569 /nfs/dbraw/zinc/26/15/69/937261569.db2.gz XAOXAUGGLYATJG-RBUKOAKNSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000583236424 937261572 /nfs/dbraw/zinc/26/15/72/937261572.db2.gz XAOXAUGGLYATJG-RBUKOAKNSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000583236424 937261576 /nfs/dbraw/zinc/26/15/76/937261576.db2.gz XAOXAUGGLYATJG-RBUKOAKNSA-N 2 1 353.535 3.974 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000246896008 928721989 /nfs/dbraw/zinc/72/19/89/928721989.db2.gz FQCJFLXNMHYZRC-RTBURBONSA-N 2 1 357.542 3.976 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000262697251 937280854 /nfs/dbraw/zinc/28/08/54/937280854.db2.gz XWWWXAJSCKUMTI-TZIWHRDSSA-N 2 1 371.569 3.797 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000154498602 928862635 /nfs/dbraw/zinc/86/26/35/928862635.db2.gz UZFVNINZBWGJMS-INIZCTEOSA-N 2 1 357.464 3.774 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000533449924 928933917 /nfs/dbraw/zinc/93/39/17/928933917.db2.gz XBNYKHGJYJCHSO-FCHUYYIVSA-N 2 1 371.569 3.525 20 0 FHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000533449924 928933921 /nfs/dbraw/zinc/93/39/21/928933921.db2.gz XBNYKHGJYJCHSO-FCHUYYIVSA-N 2 1 371.569 3.525 20 0 FHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000533449924 928933932 /nfs/dbraw/zinc/93/39/32/928933932.db2.gz XBNYKHGJYJCHSO-FCHUYYIVSA-N 2 1 371.569 3.525 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000583256080 937288683 /nfs/dbraw/zinc/28/86/83/937288683.db2.gz SYCPKJDZIBJPAG-QHCPKHFHSA-N 2 1 368.521 3.679 20 0 FHADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515801 929536458 /nfs/dbraw/zinc/53/64/58/929536458.db2.gz ZLIKQRUXNRFXNK-FYYLOGMGSA-N 2 1 368.521 3.611 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000525639864 937372441 /nfs/dbraw/zinc/37/24/41/937372441.db2.gz CTJAOPFHOVKMAN-KRWDZBQOSA-N 2 1 356.514 3.774 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000525639864 937372445 /nfs/dbraw/zinc/37/24/45/937372445.db2.gz CTJAOPFHOVKMAN-KRWDZBQOSA-N 2 1 356.514 3.774 20 0 FHADMP COc1cc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)ccc1SC ZINC000092674254 937379648 /nfs/dbraw/zinc/37/96/48/937379648.db2.gz UMANSMFJMLATPK-UHFFFAOYSA-N 2 1 374.550 3.990 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765737 930085251 /nfs/dbraw/zinc/08/52/51/930085251.db2.gz BYQIHBBUEVRNGA-UHFFFAOYSA-N 2 1 374.532 3.662 20 0 FHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371348 930173739 /nfs/dbraw/zinc/17/37/39/930173739.db2.gz JHFVXZFMPVJNSC-FXAWDEMLSA-N 2 1 351.485 3.516 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000275824712 930484992 /nfs/dbraw/zinc/48/49/92/930484992.db2.gz HBSVTNFBZNUDIK-OKYOBFRVSA-N 2 1 370.459 3.580 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000275824712 930484999 /nfs/dbraw/zinc/48/49/99/930484999.db2.gz HBSVTNFBZNUDIK-OKYOBFRVSA-N 2 1 370.459 3.580 20 0 FHADMP CCOc1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000160463834 930535489 /nfs/dbraw/zinc/53/54/89/930535489.db2.gz XHIREKHLBIRBCR-SFHVURJKSA-N 2 1 354.494 3.768 20 0 FHADMP Cc1cccc2ncc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)n21 ZINC000583413327 937421476 /nfs/dbraw/zinc/42/14/76/937421476.db2.gz XHAXWRSMTAPNLF-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)n21 ZINC000583413327 937421480 /nfs/dbraw/zinc/42/14/80/937421480.db2.gz XHAXWRSMTAPNLF-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)n21 ZINC000583413327 937421482 /nfs/dbraw/zinc/42/14/82/937421482.db2.gz XHAXWRSMTAPNLF-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)n21 ZINC000583413327 937421490 /nfs/dbraw/zinc/42/14/90/937421490.db2.gz XHAXWRSMTAPNLF-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP CC(C)(C)[N@H+]1C[C@@H](c2nc(C3([NH3+])CCCCC3)no2)[C@H](C(F)(F)F)C1 ZINC000580421974 930663017 /nfs/dbraw/zinc/66/30/17/930663017.db2.gz PJWKEEBJYDRQKG-VXGBXAGGSA-N 2 1 360.424 3.564 20 0 FHADMP OC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713676 931046808 /nfs/dbraw/zinc/04/68/08/931046808.db2.gz DNLUSAKTWTVFJQ-DHIUTWEWSA-N 2 1 364.533 3.624 20 0 FHADMP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713676 931046820 /nfs/dbraw/zinc/04/68/20/931046820.db2.gz DNLUSAKTWTVFJQ-DHIUTWEWSA-N 2 1 364.533 3.624 20 0 FHADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713679 931047411 /nfs/dbraw/zinc/04/74/11/931047411.db2.gz DNLUSAKTWTVFJQ-XZOQPEGZSA-N 2 1 364.533 3.624 20 0 FHADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713679 931047420 /nfs/dbraw/zinc/04/74/20/931047420.db2.gz DNLUSAKTWTVFJQ-XZOQPEGZSA-N 2 1 364.533 3.624 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000580836774 931249676 /nfs/dbraw/zinc/24/96/76/931249676.db2.gz KETKJVATPBMOKQ-ROUUACIJSA-N 2 1 357.542 3.823 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000548153674 931553183 /nfs/dbraw/zinc/55/31/83/931553183.db2.gz ZLTOUJQNHVPWGP-AWEZNQCLSA-N 2 1 360.299 3.904 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOc2ccccc2)cc1 ZINC000656406684 931603226 /nfs/dbraw/zinc/60/32/26/931603226.db2.gz VXAODDJTKGHXQT-RBVMOCNTSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOc2ccccc2)cc1 ZINC000656406684 931603229 /nfs/dbraw/zinc/60/32/29/931603229.db2.gz VXAODDJTKGHXQT-RBVMOCNTSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOc2ccccc2)cc1 ZINC000656406684 931603232 /nfs/dbraw/zinc/60/32/32/931603232.db2.gz VXAODDJTKGHXQT-RBVMOCNTSA-N 2 1 362.517 3.908 20 0 FHADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2ccccn2)CC1 ZINC000581134722 931606090 /nfs/dbraw/zinc/60/60/90/931606090.db2.gz YKMHDTWYZSSKJY-FQEVSTJZSA-N 2 1 370.516 3.502 20 0 FHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(OC)c1OC ZINC000065976614 931672293 /nfs/dbraw/zinc/67/22/93/931672293.db2.gz SEWIIGAHDIQBHU-UHFFFAOYSA-N 2 1 372.509 3.842 20 0 FHADMP C[N@@H+](CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCCCC1 ZINC000684163245 931692818 /nfs/dbraw/zinc/69/28/18/931692818.db2.gz INGRKOVJDSWDBA-UHFFFAOYSA-N 2 1 363.590 3.756 20 0 FHADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H]1C[NH3+] ZINC000430559325 931844570 /nfs/dbraw/zinc/84/45/70/931844570.db2.gz WXLWPHKHXCWBMQ-UWJYYQICSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H]1C[NH3+] ZINC000430559325 931844578 /nfs/dbraw/zinc/84/45/78/931844578.db2.gz WXLWPHKHXCWBMQ-UWJYYQICSA-N 2 1 351.494 3.741 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000581337511 931854081 /nfs/dbraw/zinc/85/40/81/931854081.db2.gz NCPHUWKHOFNDCS-UHFFFAOYSA-N 2 1 367.497 3.756 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000581337511 931854090 /nfs/dbraw/zinc/85/40/90/931854090.db2.gz NCPHUWKHOFNDCS-UHFFFAOYSA-N 2 1 367.497 3.756 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000510421288 932012336 /nfs/dbraw/zinc/01/23/36/932012336.db2.gz JWQZGLKCWOMQFK-UHFFFAOYSA-N 2 1 353.510 3.967 20 0 FHADMP FC(F)(F)c1cc(Br)cc(CNCCC[NH+]2CCC2)c1 ZINC000581558473 932246148 /nfs/dbraw/zinc/24/61/48/932246148.db2.gz RGTWLGHSDZKRDY-UHFFFAOYSA-N 2 1 351.210 3.653 20 0 FHADMP FC(F)(F)c1cc(Br)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000581558473 932246152 /nfs/dbraw/zinc/24/61/52/932246152.db2.gz RGTWLGHSDZKRDY-UHFFFAOYSA-N 2 1 351.210 3.653 20 0 FHADMP COc1sc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000656786620 932422400 /nfs/dbraw/zinc/42/24/00/932422400.db2.gz OJHVUFNKUCNXAT-ZDUSSCGKSA-N 2 1 373.360 3.731 20 0 FHADMP CC1(CC(F)(F)F)C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656816083 932445532 /nfs/dbraw/zinc/44/55/32/932445532.db2.gz DMUWTRYCQZGYOP-UHFFFAOYSA-N 2 1 356.432 3.936 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689568 932507317 /nfs/dbraw/zinc/50/73/17/932507317.db2.gz XMKORRXDFPTDBN-UONOGXRCSA-N 2 1 357.311 3.839 20 0 FHADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](C)C(=O)OC)C2 ZINC001279517701 932621825 /nfs/dbraw/zinc/62/18/25/932621825.db2.gz OJAIHBIXCWXABO-IRFCIJBXSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](C)C(=O)OC)C2 ZINC001279517701 932621826 /nfs/dbraw/zinc/62/18/26/932621826.db2.gz OJAIHBIXCWXABO-IRFCIJBXSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](C)C(=O)OC)C2 ZINC001279517701 932621829 /nfs/dbraw/zinc/62/18/29/932621829.db2.gz OJAIHBIXCWXABO-IRFCIJBXSA-N 2 1 352.563 3.800 20 0 FHADMP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000891492559 932648816 /nfs/dbraw/zinc/64/88/16/932648816.db2.gz XBXYEYRJAQSMCD-UHFFFAOYSA-N 2 1 362.905 3.543 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000510468586 932760991 /nfs/dbraw/zinc/76/09/91/932760991.db2.gz FLSCCKYMROEOPH-UHFFFAOYSA-N 3 1 372.601 3.525 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000510468586 932761000 /nfs/dbraw/zinc/76/10/00/932761000.db2.gz FLSCCKYMROEOPH-UHFFFAOYSA-N 3 1 372.601 3.525 20 0 FHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000647189343 932825756 /nfs/dbraw/zinc/82/57/56/932825756.db2.gz PQHVJINSJZPFQF-UHFFFAOYSA-N 2 1 356.514 3.875 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1Cl ZINC000581943308 933090981 /nfs/dbraw/zinc/09/09/81/933090981.db2.gz AGPSTUHCKASACY-IAGOWNOFSA-N 2 1 369.896 3.634 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1Cl ZINC000581943308 933090988 /nfs/dbraw/zinc/09/09/88/933090988.db2.gz AGPSTUHCKASACY-IAGOWNOFSA-N 2 1 369.896 3.634 20 0 FHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430741752 933192917 /nfs/dbraw/zinc/19/29/17/933192917.db2.gz DULHASOMUAHDLA-CTYIDZIISA-N 2 1 355.295 3.908 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000430742583 933194420 /nfs/dbraw/zinc/19/44/20/933194420.db2.gz MPUVQZFRDTZGRR-KKSFZXQISA-N 2 1 367.493 3.566 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000430742583 933194425 /nfs/dbraw/zinc/19/44/25/933194425.db2.gz MPUVQZFRDTZGRR-KKSFZXQISA-N 2 1 367.493 3.566 20 0 FHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000430812228 933247131 /nfs/dbraw/zinc/24/71/31/933247131.db2.gz VCFBTMRXMWLFKC-MTNOOBJLSA-N 2 1 363.571 3.545 20 0 FHADMP CC1CC[NH+](C2CCC(NC(=O)CC[N@@H+](C)C3CCCCC3)CC2)CC1 ZINC000548392085 933311829 /nfs/dbraw/zinc/31/18/29/933311829.db2.gz WQWSXRQDVMHVRN-UHFFFAOYSA-N 2 1 363.590 3.800 20 0 FHADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000430928260 933414934 /nfs/dbraw/zinc/41/49/34/933414934.db2.gz TWVZORRBFMMMAZ-UHFFFAOYSA-N 2 1 367.493 3.657 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000510696220 933435908 /nfs/dbraw/zinc/43/59/08/933435908.db2.gz QQXANDJDSHVCAF-VGSWGCGISA-N 2 1 374.475 3.513 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000510696220 933435912 /nfs/dbraw/zinc/43/59/12/933435912.db2.gz QQXANDJDSHVCAF-VGSWGCGISA-N 2 1 374.475 3.513 20 0 FHADMP Cc1cccc(OCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430944405 933458099 /nfs/dbraw/zinc/45/80/99/933458099.db2.gz LZKYAZUSVBLWPN-UHFFFAOYSA-N 2 1 373.585 3.502 20 0 FHADMP Cc1cccc(OCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430944405 933458102 /nfs/dbraw/zinc/45/81/02/933458102.db2.gz LZKYAZUSVBLWPN-UHFFFAOYSA-N 3 1 373.585 3.502 20 0 FHADMP Cc1cccc(OCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430944405 933458104 /nfs/dbraw/zinc/45/81/04/933458104.db2.gz LZKYAZUSVBLWPN-UHFFFAOYSA-N 3 1 373.585 3.502 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796543 933735778 /nfs/dbraw/zinc/73/57/78/933735778.db2.gz JIZINIFDLYLPLX-ZWKOTPCHSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796543 933735784 /nfs/dbraw/zinc/73/57/84/933735784.db2.gz JIZINIFDLYLPLX-ZWKOTPCHSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796543 933735786 /nfs/dbraw/zinc/73/57/86/933735786.db2.gz JIZINIFDLYLPLX-ZWKOTPCHSA-N 2 1 357.542 3.521 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092567694 934089872 /nfs/dbraw/zinc/08/98/72/934089872.db2.gz SSUZVNFLVFOFPV-LMDPOFIKSA-N 2 1 352.563 3.845 20 0 FHADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000548490264 934197396 /nfs/dbraw/zinc/19/73/96/934197396.db2.gz LLQVIKXAZUQSHV-HUUCEWRRSA-N 2 1 363.493 3.747 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799770 934426291 /nfs/dbraw/zinc/42/62/91/934426291.db2.gz QCTKCWSUHCNFKE-CZUORRHYSA-N 2 1 372.294 3.674 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000090464522 934671456 /nfs/dbraw/zinc/67/14/56/934671456.db2.gz XMCZLYHOQFRNRZ-KKSFZXQISA-N 2 1 366.509 3.765 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535898984 934732333 /nfs/dbraw/zinc/73/23/33/934732333.db2.gz QOSJAJFUQRKPKZ-QFIPXVFZSA-N 2 1 371.569 3.722 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000236727870 934768524 /nfs/dbraw/zinc/76/85/24/934768524.db2.gz KXWHHNPBGYHBHH-UHFFFAOYSA-N 2 1 353.510 3.697 20 0 FHADMP Cc1ccsc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000102781518 934892527 /nfs/dbraw/zinc/89/25/27/934892527.db2.gz PSRGRLHXJCYOAM-UHFFFAOYSA-N 2 1 374.550 3.836 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000511029567 934963337 /nfs/dbraw/zinc/96/33/37/934963337.db2.gz ITRRBHPBEGCCOK-MRXNPFEDSA-N 2 1 352.251 3.760 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)CC1 ZINC000657297391 935007268 /nfs/dbraw/zinc/00/72/68/935007268.db2.gz CAWBRSFXFNAQEJ-UHFFFAOYSA-N 2 1 353.514 3.525 20 0 FHADMP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000277382349 935046739 /nfs/dbraw/zinc/04/67/39/935046739.db2.gz XTRKHTYYOQEPSI-XHSDSOJGSA-N 2 1 359.518 3.670 20 0 FHADMP CCc1nnc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536489066 935091480 /nfs/dbraw/zinc/09/14/80/935091480.db2.gz YLFFHOIYXIOHEO-QGZVFWFLSA-N 2 1 354.498 3.681 20 0 FHADMP CCc1nnc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536489066 935091485 /nfs/dbraw/zinc/09/14/85/935091485.db2.gz YLFFHOIYXIOHEO-QGZVFWFLSA-N 2 1 354.498 3.681 20 0 FHADMP COc1ccsc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000472128073 935101264 /nfs/dbraw/zinc/10/12/64/935101264.db2.gz LWGQNILKFWCFOC-PKOBYXMFSA-N 2 1 373.566 3.786 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657311693 935106181 /nfs/dbraw/zinc/10/61/81/935106181.db2.gz ROKUJAVVAVOBJE-SFHVURJKSA-N 2 1 352.526 3.815 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657311693 935106183 /nfs/dbraw/zinc/10/61/83/935106183.db2.gz ROKUJAVVAVOBJE-SFHVURJKSA-N 2 1 352.526 3.815 20 0 FHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262049688 935203403 /nfs/dbraw/zinc/20/34/03/935203403.db2.gz QCUWWLGQNUAXCI-UHFFFAOYSA-N 2 1 352.526 3.745 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157849367 935211891 /nfs/dbraw/zinc/21/18/91/935211891.db2.gz ITJSYMJLOSVNNC-HOTGVXAUSA-N 2 1 366.937 3.696 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000157857391 935212839 /nfs/dbraw/zinc/21/28/39/935212839.db2.gz PWYSEVHMPFZGRT-ROUUACIJSA-N 2 1 359.514 3.948 20 0 FHADMP C[C@@H]1CSCCC[NH+]1Cc1cncc(C[N@@H+]2CCCSC[C@H]2C)c1 ZINC000934297139 935286829 /nfs/dbraw/zinc/28/68/29/935286829.db2.gz AKFSMFMTYBKUDZ-IAGOWNOFSA-N 2 1 365.612 3.736 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000657356214 935335253 /nfs/dbraw/zinc/33/52/53/935335253.db2.gz CYIJTNIGRJZZCD-IHWFROFDSA-N 2 1 350.510 3.583 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000657356214 935335260 /nfs/dbraw/zinc/33/52/60/935335260.db2.gz CYIJTNIGRJZZCD-IHWFROFDSA-N 2 1 350.510 3.583 20 0 FHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000647244930 935375678 /nfs/dbraw/zinc/37/56/78/935375678.db2.gz LOOLGMCCJPPENZ-JBJBFBLISA-N 2 1 365.521 3.944 20 0 FHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000647244930 935375682 /nfs/dbraw/zinc/37/56/82/935375682.db2.gz LOOLGMCCJPPENZ-JBJBFBLISA-N 2 1 365.521 3.944 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161184639 935421452 /nfs/dbraw/zinc/42/14/52/935421452.db2.gz RMDCVHYINMYKEA-QGZVFWFLSA-N 2 1 374.573 3.570 20 0 FHADMP Cc1cc(OCC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1C(C)C ZINC000109754681 935517526 /nfs/dbraw/zinc/51/75/26/935517526.db2.gz MWZAYGNNCIUPSF-NRFANRHFSA-N 2 1 373.585 3.599 20 0 FHADMP Cc1cc(OCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1C(C)C ZINC000109754681 935517530 /nfs/dbraw/zinc/51/75/30/935517530.db2.gz MWZAYGNNCIUPSF-NRFANRHFSA-N 2 1 373.585 3.599 20 0 FHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000657400069 935563361 /nfs/dbraw/zinc/56/33/61/935563361.db2.gz LCUDXJRREFAPQW-RTWAWAEBSA-N 2 1 356.510 3.853 20 0 FHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000657500466 935879166 /nfs/dbraw/zinc/87/91/66/935879166.db2.gz OLEAAUBINCOBHN-AAIMPIBUSA-N 2 1 368.521 3.535 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000626062163 935886809 /nfs/dbraw/zinc/88/68/09/935886809.db2.gz JXGHGLCEPYARAN-GOSISDBHSA-N 2 1 353.510 3.622 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000582660586 935920796 /nfs/dbraw/zinc/92/07/96/935920796.db2.gz KBQNCKLHMOLJJS-ZPMCFJSWSA-N 2 1 372.940 3.886 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000582660586 935920799 /nfs/dbraw/zinc/92/07/99/935920799.db2.gz KBQNCKLHMOLJJS-ZPMCFJSWSA-N 2 1 372.940 3.886 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594294 936074000 /nfs/dbraw/zinc/07/40/00/936074000.db2.gz IDTAIWDEPVGNQE-LJQANCHMSA-N 2 1 364.411 3.562 20 0 FHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596230 936076219 /nfs/dbraw/zinc/07/62/19/936076219.db2.gz MPWLQCDJIDHQBM-HRAATJIYSA-N 2 1 358.913 3.627 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C)C1CCCCC1 ZINC000582833130 936184900 /nfs/dbraw/zinc/18/49/00/936184900.db2.gz QUAXXLWTFGMIIP-IBGZPJMESA-N 2 1 358.530 3.713 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000080339065 938249568 /nfs/dbraw/zinc/24/95/68/938249568.db2.gz VNZPKGDGTXCCGL-PXNSSMCTSA-N 2 1 354.494 3.847 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000080339065 938249570 /nfs/dbraw/zinc/24/95/70/938249570.db2.gz VNZPKGDGTXCCGL-PXNSSMCTSA-N 2 1 354.494 3.847 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000583472443 938269327 /nfs/dbraw/zinc/26/93/27/938269327.db2.gz IRXZFFLOSQLRSE-FCHUYYIVSA-N 2 1 371.569 3.608 20 0 FHADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705327 938282935 /nfs/dbraw/zinc/28/29/35/938282935.db2.gz DLZLWELYHIFQMA-SVMVAKDDSA-N 2 1 354.494 3.567 20 0 FHADMP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705482 938283065 /nfs/dbraw/zinc/28/30/65/938283065.db2.gz JFEORRLQTSGXOM-ONTIZHBOSA-N 2 1 360.542 3.830 20 0 FHADMP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514206 938288575 /nfs/dbraw/zinc/28/85/75/938288575.db2.gz NHZNFBNHCCKTKG-FOVJLYNBSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514206 938288578 /nfs/dbraw/zinc/28/85/78/938288578.db2.gz NHZNFBNHCCKTKG-FOVJLYNBSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000583514206 938288579 /nfs/dbraw/zinc/28/85/79/938288579.db2.gz NHZNFBNHCCKTKG-FOVJLYNBSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000583514206 938288581 /nfs/dbraw/zinc/28/85/81/938288581.db2.gz NHZNFBNHCCKTKG-FOVJLYNBSA-N 2 1 363.549 3.858 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163147509 938290088 /nfs/dbraw/zinc/29/00/88/938290088.db2.gz UUGAUCVFOGGFBN-ZBFHGGJFSA-N 2 1 366.431 3.716 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299425 938307974 /nfs/dbraw/zinc/30/79/74/938307974.db2.gz GJIZDGCCBSMKTC-GOTSBHOMSA-N 2 1 367.537 3.915 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cs2)cc1 ZINC000650722980 938310142 /nfs/dbraw/zinc/31/01/42/938310142.db2.gz FPFPQNFAYLLHKY-RLLQIKCJSA-N 2 1 371.550 3.979 20 0 FHADMP COc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2c1 ZINC000650721755 938310377 /nfs/dbraw/zinc/31/03/77/938310377.db2.gz AIIVTDKQQKEXIJ-FCEUIQTBSA-N 2 1 354.494 3.709 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C3(CCC3)C2)cc1 ZINC000657773170 938312405 /nfs/dbraw/zinc/31/24/05/938312405.db2.gz PYHATQHCIZCZBI-OAQYLSRUSA-N 2 1 362.521 3.746 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C3(CCC3)C2)cc1 ZINC000657773170 938312406 /nfs/dbraw/zinc/31/24/06/938312406.db2.gz PYHATQHCIZCZBI-OAQYLSRUSA-N 2 1 362.521 3.746 20 0 FHADMP Cn1nc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773901 938319328 /nfs/dbraw/zinc/31/93/28/938319328.db2.gz VTLUXBKEDPPFEZ-FQEVSTJZSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773901 938319330 /nfs/dbraw/zinc/31/93/30/938319330.db2.gz VTLUXBKEDPPFEZ-FQEVSTJZSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773901 938319332 /nfs/dbraw/zinc/31/93/32/938319332.db2.gz VTLUXBKEDPPFEZ-FQEVSTJZSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638359816 945166504 /nfs/dbraw/zinc/16/65/04/945166504.db2.gz SCLXWTQWJQFRIT-XJABCFGWSA-N 2 1 350.510 3.755 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638359816 945166553 /nfs/dbraw/zinc/16/65/53/945166553.db2.gz SCLXWTQWJQFRIT-XJABCFGWSA-N 2 1 350.510 3.755 20 0 FHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000151125326 938385581 /nfs/dbraw/zinc/38/55/81/938385581.db2.gz SBWYCBMVTJZNHY-BZNIZROVSA-N 2 1 355.345 3.916 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151165666 938438561 /nfs/dbraw/zinc/43/85/61/938438561.db2.gz ZGVCMWVWRCCQMT-JTDSTZFVSA-N 2 1 350.934 3.707 20 0 FHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000583908965 938481777 /nfs/dbraw/zinc/48/17/77/938481777.db2.gz XTVJPPMWXGCHRM-HUUCEWRRSA-N 2 1 371.447 3.596 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000647314511 938484935 /nfs/dbraw/zinc/48/49/35/938484935.db2.gz BJJIOIUKVMQTTB-GBESFXJTSA-N 2 1 354.519 3.965 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000647314511 938484938 /nfs/dbraw/zinc/48/49/38/938484938.db2.gz BJJIOIUKVMQTTB-GBESFXJTSA-N 2 1 354.519 3.965 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000080573283 938486334 /nfs/dbraw/zinc/48/63/34/938486334.db2.gz JGMDSOPIXHYLBT-ICSRJNTNSA-N 2 1 366.509 3.868 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000080573283 938486335 /nfs/dbraw/zinc/48/63/35/938486335.db2.gz JGMDSOPIXHYLBT-ICSRJNTNSA-N 2 1 366.509 3.868 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000151595757 938595031 /nfs/dbraw/zinc/59/50/31/938595031.db2.gz QBCQTBGBAGQZAZ-UHFFFAOYSA-N 3 1 372.601 3.571 20 0 FHADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000647322409 938600129 /nfs/dbraw/zinc/60/01/29/938600129.db2.gz UQQQRJWODSKZNO-RJGXRXQPSA-N 2 1 350.506 3.569 20 0 FHADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866682 938657233 /nfs/dbraw/zinc/65/72/33/938657233.db2.gz OGLCARWZOUXXNO-CTNGQTDRSA-N 2 1 369.553 3.971 20 0 FHADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866682 938657235 /nfs/dbraw/zinc/65/72/35/938657235.db2.gz OGLCARWZOUXXNO-CTNGQTDRSA-N 2 1 369.553 3.971 20 0 FHADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134866682 938657236 /nfs/dbraw/zinc/65/72/36/938657236.db2.gz OGLCARWZOUXXNO-CTNGQTDRSA-N 2 1 369.553 3.971 20 0 FHADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134866682 938657237 /nfs/dbraw/zinc/65/72/37/938657237.db2.gz OGLCARWZOUXXNO-CTNGQTDRSA-N 2 1 369.553 3.971 20 0 FHADMP Cn1cnc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC000584323269 938686715 /nfs/dbraw/zinc/68/67/15/938686715.db2.gz GLBRIUHNRZSIQB-NHCUHLMSSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC000584323269 938686716 /nfs/dbraw/zinc/68/67/16/938686716.db2.gz GLBRIUHNRZSIQB-NHCUHLMSSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC000584323269 938686717 /nfs/dbraw/zinc/68/67/17/938686717.db2.gz GLBRIUHNRZSIQB-NHCUHLMSSA-N 2 1 360.505 3.527 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657849875 938717725 /nfs/dbraw/zinc/71/77/25/938717725.db2.gz NAVCUCKRVPWZCE-INIZCTEOSA-N 2 1 372.509 3.618 20 0 FHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095149 938720258 /nfs/dbraw/zinc/72/02/58/938720258.db2.gz UGUSMRKDZOLTJS-RHSMWYFYSA-N 2 1 352.906 3.663 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095149 938720260 /nfs/dbraw/zinc/72/02/60/938720260.db2.gz UGUSMRKDZOLTJS-RHSMWYFYSA-N 2 1 352.906 3.663 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095149 938720261 /nfs/dbraw/zinc/72/02/61/938720261.db2.gz UGUSMRKDZOLTJS-RHSMWYFYSA-N 2 1 352.906 3.663 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095149 938720263 /nfs/dbraw/zinc/72/02/63/938720263.db2.gz UGUSMRKDZOLTJS-RHSMWYFYSA-N 2 1 352.906 3.663 20 0 FHADMP C[N@@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c2ccccc2C1 ZINC000081348707 938784414 /nfs/dbraw/zinc/78/44/14/938784414.db2.gz SYDPHPCCQAMYGL-UHFFFAOYSA-N 2 1 358.445 3.917 20 0 FHADMP C[N@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c2ccccc2C1 ZINC000081348707 938784416 /nfs/dbraw/zinc/78/44/16/938784416.db2.gz SYDPHPCCQAMYGL-UHFFFAOYSA-N 2 1 358.445 3.917 20 0 FHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633792 938799987 /nfs/dbraw/zinc/79/99/87/938799987.db2.gz FJCXWVQBCHYLGP-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633792 938799988 /nfs/dbraw/zinc/79/99/88/938799988.db2.gz FJCXWVQBCHYLGP-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633792 938799989 /nfs/dbraw/zinc/79/99/89/938799989.db2.gz FJCXWVQBCHYLGP-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000081633792 938799990 /nfs/dbraw/zinc/79/99/90/938799990.db2.gz FJCXWVQBCHYLGP-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000545589785 945206486 /nfs/dbraw/zinc/20/64/86/945206486.db2.gz DBRTWWXEGNDRSJ-PKOBYXMFSA-N 2 1 350.522 3.971 20 0 FHADMP FC(F)(F)c1ccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000089602884 938860732 /nfs/dbraw/zinc/86/07/32/938860732.db2.gz KZTVLJIYNILPTF-HNNXBMFYSA-N 2 1 365.399 3.919 20 0 FHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC001279667337 938867144 /nfs/dbraw/zinc/86/71/44/938867144.db2.gz QTZWNWAPUQXOMS-UHFFFAOYSA-N 2 1 355.295 3.896 20 0 FHADMP C[N@H+]1CCCC2(CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC001279667337 938867147 /nfs/dbraw/zinc/86/71/47/938867147.db2.gz QTZWNWAPUQXOMS-UHFFFAOYSA-N 2 1 355.295 3.896 20 0 FHADMP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090543761 938880159 /nfs/dbraw/zinc/88/01/59/938880159.db2.gz LTJFKGBOTGIETQ-SIKLNZKXSA-N 2 1 362.533 3.754 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000090656091 938881586 /nfs/dbraw/zinc/88/15/86/938881586.db2.gz HYKKSVYFPYQXDP-IYRWYFENSA-N 2 1 352.522 3.621 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000090656091 938881589 /nfs/dbraw/zinc/88/15/89/938881589.db2.gz HYKKSVYFPYQXDP-IYRWYFENSA-N 2 1 352.522 3.621 20 0 FHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccnc1 ZINC000091307331 938899559 /nfs/dbraw/zinc/89/95/59/938899559.db2.gz GCBOIRPJSJVYSQ-XMSQKQJNSA-N 2 1 353.510 3.789 20 0 FHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccnc1 ZINC000091307331 938899560 /nfs/dbraw/zinc/89/95/60/938899560.db2.gz GCBOIRPJSJVYSQ-XMSQKQJNSA-N 2 1 353.510 3.789 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000708545989 938913894 /nfs/dbraw/zinc/91/38/94/938913894.db2.gz WFVKGCKFHPQVAU-XLIONFOSSA-N 2 1 354.494 3.562 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746413 938921192 /nfs/dbraw/zinc/92/11/92/938921192.db2.gz BWMBJPNHQSHCBQ-CVEARBPZSA-N 2 1 374.479 3.914 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000519226297 945218033 /nfs/dbraw/zinc/21/80/33/945218033.db2.gz YIZSBMAFSVQCRF-SFHVURJKSA-N 2 1 351.579 3.515 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000657877758 938965804 /nfs/dbraw/zinc/96/58/04/938965804.db2.gz DFOKBYHQOMGHIA-UWBMWYGXSA-N 2 1 372.553 3.603 20 0 FHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885720 938971215 /nfs/dbraw/zinc/97/12/15/938971215.db2.gz GZXYXOFSQFQMSE-IIBYNOLFSA-N 2 1 367.518 3.584 20 0 FHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885720 938971216 /nfs/dbraw/zinc/97/12/16/938971216.db2.gz GZXYXOFSQFQMSE-IIBYNOLFSA-N 2 1 367.518 3.584 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657884616 938971830 /nfs/dbraw/zinc/97/18/30/938971830.db2.gz WZBDIHAUVQEYSP-ZOBUZTSGSA-N 2 1 355.473 3.807 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657884616 938971831 /nfs/dbraw/zinc/97/18/31/938971831.db2.gz WZBDIHAUVQEYSP-ZOBUZTSGSA-N 2 1 355.473 3.807 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000647344799 938979160 /nfs/dbraw/zinc/97/91/60/938979160.db2.gz ZMSUDVKJAWAFPE-ZEYPLWLESA-N 2 1 360.505 3.868 20 0 FHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457627 938987940 /nfs/dbraw/zinc/98/79/40/938987940.db2.gz HKFVPWMMNJJCRM-GOSISDBHSA-N 2 1 356.341 3.594 20 0 FHADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685462711 938988705 /nfs/dbraw/zinc/98/87/05/938988705.db2.gz OKGABYWZVUXFOT-UHFFFAOYSA-N 2 1 354.498 3.997 20 0 FHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685462711 938988706 /nfs/dbraw/zinc/98/87/06/938988706.db2.gz OKGABYWZVUXFOT-UHFFFAOYSA-N 2 1 354.498 3.997 20 0 FHADMP C[C@H]1C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080230836 938999742 /nfs/dbraw/zinc/99/97/42/938999742.db2.gz NGHPUWNOBUVVTJ-PKOBYXMFSA-N 2 1 351.498 3.542 20 0 FHADMP C[C@H]1C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080230836 938999743 /nfs/dbraw/zinc/99/97/43/938999743.db2.gz NGHPUWNOBUVVTJ-PKOBYXMFSA-N 2 1 351.498 3.542 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080338393 939000448 /nfs/dbraw/zinc/00/04/48/939000448.db2.gz LBAUPVARURNKNY-NQIIRXRSSA-N 2 1 371.569 3.666 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080338393 939000449 /nfs/dbraw/zinc/00/04/49/939000449.db2.gz LBAUPVARURNKNY-NQIIRXRSSA-N 2 1 371.569 3.666 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657930183 939009013 /nfs/dbraw/zinc/00/90/13/939009013.db2.gz BJXKRMULAPBJQI-OIBXWCBGSA-N 2 1 374.569 3.708 20 0 FHADMP c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657970839 939013692 /nfs/dbraw/zinc/01/36/92/939013692.db2.gz HXGMJNNQLOATLP-TUFLPTIASA-N 2 1 350.510 3.608 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019640 939018985 /nfs/dbraw/zinc/01/89/85/939018985.db2.gz UAADBRZXUIOVBU-XZOQPEGZSA-N 2 1 374.569 3.710 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136421 939030304 /nfs/dbraw/zinc/03/03/04/939030304.db2.gz IIIIOQKLBXFGOG-UZUQRXQVSA-N 2 1 350.506 3.981 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137070 939030723 /nfs/dbraw/zinc/03/07/23/939030723.db2.gz IRGAHCLZNWBNDF-RBBKRZOGSA-N 2 1 354.469 3.560 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658118344 939031678 /nfs/dbraw/zinc/03/16/78/939031678.db2.gz DUJZMUSPXGXTCU-MJGOQNOKSA-N 2 1 354.494 3.704 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658118344 939031682 /nfs/dbraw/zinc/03/16/82/939031682.db2.gz DUJZMUSPXGXTCU-MJGOQNOKSA-N 2 1 354.494 3.704 20 0 FHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(C)c1F ZINC000658143120 939035921 /nfs/dbraw/zinc/03/59/21/939035921.db2.gz WRKQNIRXRDPZKT-LAUBAEHRSA-N 2 1 356.485 3.860 20 0 FHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(C)c1F ZINC000658143121 939036256 /nfs/dbraw/zinc/03/62/56/939036256.db2.gz WRKQNIRXRDPZKT-UTKZUKDTSA-N 2 1 356.485 3.860 20 0 FHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143487 939036453 /nfs/dbraw/zinc/03/64/53/939036453.db2.gz YYLWTVSPXYRHBA-BVZALQNUSA-N 2 1 368.496 3.806 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143561 939036704 /nfs/dbraw/zinc/03/67/04/939036704.db2.gz ZIHJFUMDWVEVHB-DNVCBOLYSA-N 2 1 374.912 3.766 20 0 FHADMP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137190 939040324 /nfs/dbraw/zinc/04/03/24/939040324.db2.gz JROHRFZNJFSHKS-DYESRHJHSA-N 2 1 370.562 3.696 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138054 939040389 /nfs/dbraw/zinc/04/03/89/939040389.db2.gz MJIFFCCTMWSULA-SZOBAZRNSA-N 2 1 350.506 3.535 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)cc2)C1 ZINC000658137693 939040793 /nfs/dbraw/zinc/04/07/93/939040793.db2.gz IALICVXZVYEYBU-XPWALMASSA-N 2 1 350.506 3.679 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658269618 939093796 /nfs/dbraw/zinc/09/37/96/939093796.db2.gz WWCMAJUQZXNONC-WKCHPHFGSA-N 2 1 364.537 3.973 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658269618 939093800 /nfs/dbraw/zinc/09/38/00/939093800.db2.gz WWCMAJUQZXNONC-WKCHPHFGSA-N 2 1 364.537 3.973 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319725 939110379 /nfs/dbraw/zinc/11/03/79/939110379.db2.gz HJCWHZQCMWOAHE-KNQAVFIVSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319725 939110383 /nfs/dbraw/zinc/11/03/83/939110383.db2.gz HJCWHZQCMWOAHE-KNQAVFIVSA-N 2 1 355.570 3.609 20 0 FHADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319421 939111617 /nfs/dbraw/zinc/11/16/17/939111617.db2.gz AMWIAQGYTZQBQP-WIYYLYMNSA-N 2 1 352.526 3.856 20 0 FHADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320433 939112030 /nfs/dbraw/zinc/11/20/30/939112030.db2.gz XUNGJNDJXBQMFS-TZIWHRDSSA-N 2 1 352.526 3.554 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338592 939117101 /nfs/dbraw/zinc/11/71/01/939117101.db2.gz FQIWGUBGVYPRPK-KCDSLRJUSA-N 2 1 364.533 3.936 20 0 FHADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658353010 939123577 /nfs/dbraw/zinc/12/35/77/939123577.db2.gz BCGROCRIBPETAP-AUSIDOKSSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658353010 939123578 /nfs/dbraw/zinc/12/35/78/939123578.db2.gz BCGROCRIBPETAP-AUSIDOKSSA-N 2 1 355.570 3.609 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357148 939125547 /nfs/dbraw/zinc/12/55/47/939125547.db2.gz RQSARBYQEUPSFV-KRWDZBQOSA-N 3 1 352.526 3.953 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225169 945231302 /nfs/dbraw/zinc/23/13/02/945231302.db2.gz WULDRDIGNRKCMV-UYAOXDASSA-N 2 1 351.579 3.610 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000519224242 945232950 /nfs/dbraw/zinc/23/29/50/945232950.db2.gz YTESSEWTZVINNF-UHFFFAOYSA-N 2 1 362.514 3.628 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000519228273 945233715 /nfs/dbraw/zinc/23/37/15/945233715.db2.gz CZSGVNBAXCGGJV-IBGZPJMESA-N 2 1 371.569 3.798 20 0 FHADMP COCCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000892466948 939218202 /nfs/dbraw/zinc/21/82/02/939218202.db2.gz UTRJUBHTFUSZHO-UHFFFAOYSA-N 2 1 358.482 3.581 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000507489682 945276892 /nfs/dbraw/zinc/27/68/92/945276892.db2.gz XUDXBNYXVPQBOC-QZTJIDSGSA-N 2 1 353.510 3.716 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000507489682 945276897 /nfs/dbraw/zinc/27/68/97/945276897.db2.gz XUDXBNYXVPQBOC-QZTJIDSGSA-N 2 1 353.510 3.716 20 0 FHADMP OCC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507516762 945280121 /nfs/dbraw/zinc/28/01/21/945280121.db2.gz WTAMVSVSRMOMCC-MYDTUXCISA-N 2 1 350.506 3.610 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000065976470 940134265 /nfs/dbraw/zinc/13/42/65/940134265.db2.gz FKEOCOVJWAHBNQ-UHFFFAOYSA-N 2 1 363.509 3.612 20 0 FHADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000376112457 940325595 /nfs/dbraw/zinc/32/55/95/940325595.db2.gz HYWWSZGJJWXXIT-RUZDIDTESA-N 2 1 362.583 3.699 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647497386 940375578 /nfs/dbraw/zinc/37/55/78/940375578.db2.gz FJJSDRVVQNMNFN-UYAOXDASSA-N 2 1 354.542 3.788 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647497386 940375581 /nfs/dbraw/zinc/37/55/81/940375581.db2.gz FJJSDRVVQNMNFN-UYAOXDASSA-N 2 1 354.542 3.788 20 0 FHADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@H]1[NH3+] ZINC000647497810 940377151 /nfs/dbraw/zinc/37/71/51/940377151.db2.gz WBMQCOGWPFXFFH-FXAWDEMLSA-N 2 1 364.493 4.000 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@H]1[NH3+] ZINC000647497810 940377156 /nfs/dbraw/zinc/37/71/56/940377156.db2.gz WBMQCOGWPFXFFH-FXAWDEMLSA-N 2 1 364.493 4.000 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000376164790 940398107 /nfs/dbraw/zinc/39/81/07/940398107.db2.gz WTZLAVBFTYCEDU-XUEUYAKLSA-N 2 1 351.494 3.989 20 0 FHADMP CCO[C@H](C)c1nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000376177590 940424312 /nfs/dbraw/zinc/42/43/12/940424312.db2.gz JDMUCBFRIBKBKV-MRXNPFEDSA-N 2 1 374.554 3.984 20 0 FHADMP CCO[C@H](C)c1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000376177590 940424315 /nfs/dbraw/zinc/42/43/15/940424315.db2.gz JDMUCBFRIBKBKV-MRXNPFEDSA-N 2 1 374.554 3.984 20 0 FHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000892525090 940461579 /nfs/dbraw/zinc/46/15/79/940461579.db2.gz VKPNJLKUIFWFJS-UHFFFAOYSA-N 2 1 354.542 3.878 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000414078064 940483563 /nfs/dbraw/zinc/48/35/63/940483563.db2.gz RTMANZQYTLHPIG-GOSISDBHSA-N 2 1 353.510 3.584 20 0 FHADMP Clc1sc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400786 945377049 /nfs/dbraw/zinc/37/70/49/945377049.db2.gz PSESQEWBBLXPJK-WDEREUQCSA-N 2 1 363.752 3.986 20 0 FHADMP Clc1sc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400786 945377062 /nfs/dbraw/zinc/37/70/62/945377062.db2.gz PSESQEWBBLXPJK-WDEREUQCSA-N 2 1 363.752 3.986 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000414131479 940645012 /nfs/dbraw/zinc/64/50/12/940645012.db2.gz XZIRZQYSVNBKMB-IRFPFTSISA-N 2 1 365.521 3.806 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295151 940718416 /nfs/dbraw/zinc/71/84/16/940718416.db2.gz AIQACUQOHWDSKC-QZTJIDSGSA-N 2 1 367.537 3.868 20 0 FHADMP OC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290871 940901259 /nfs/dbraw/zinc/90/12/59/940901259.db2.gz NYDWXHBDISVRHW-XBYSBRQOSA-N 2 1 368.496 3.687 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892607151 940937115 /nfs/dbraw/zinc/93/71/15/940937115.db2.gz HHVRMOUJDYKDKL-KGLIPLIRSA-N 2 1 351.516 3.812 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892607151 940937117 /nfs/dbraw/zinc/93/71/17/940937117.db2.gz HHVRMOUJDYKDKL-KGLIPLIRSA-N 2 1 351.516 3.812 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892607153 940937415 /nfs/dbraw/zinc/93/74/15/940937415.db2.gz HHVRMOUJDYKDKL-ZIAGYGMSSA-N 2 1 351.516 3.812 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892607153 940937417 /nfs/dbraw/zinc/93/74/17/940937417.db2.gz HHVRMOUJDYKDKL-ZIAGYGMSSA-N 2 1 351.516 3.812 20 0 FHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000414311338 940942593 /nfs/dbraw/zinc/94/25/93/940942593.db2.gz MNSGTFKIJSFBJW-QZTJIDSGSA-N 2 1 352.526 3.807 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582187 940949237 /nfs/dbraw/zinc/94/92/37/940949237.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@H]1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472582187 940949239 /nfs/dbraw/zinc/94/92/39/940949239.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@H]1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472582187 940949243 /nfs/dbraw/zinc/94/92/43/940949243.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 2 1 355.570 3.849 20 0 FHADMP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n1C ZINC000414323108 940970387 /nfs/dbraw/zinc/97/03/87/940970387.db2.gz VUCVMQBBIIJPAK-UHFFFAOYSA-N 2 1 369.557 3.540 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414333617 940993736 /nfs/dbraw/zinc/99/37/36/940993736.db2.gz ATHFXTMRZUJWLW-RCZSKKKRSA-N 2 1 367.512 3.905 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)cc1 ZINC000186483991 941008832 /nfs/dbraw/zinc/00/88/32/941008832.db2.gz ICAZAHGEVJJNRX-INIZCTEOSA-N 2 1 359.477 3.961 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665146 945368429 /nfs/dbraw/zinc/36/84/29/945368429.db2.gz UXEDPMQVJCJMBQ-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665146 945368436 /nfs/dbraw/zinc/36/84/36/945368436.db2.gz UXEDPMQVJCJMBQ-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665146 945368438 /nfs/dbraw/zinc/36/84/38/945368438.db2.gz UXEDPMQVJCJMBQ-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665146 945368444 /nfs/dbraw/zinc/36/84/44/945368444.db2.gz UXEDPMQVJCJMBQ-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665146 945368450 /nfs/dbraw/zinc/36/84/50/945368450.db2.gz UXEDPMQVJCJMBQ-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP CC1([NH3+])CC[NH+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000647530990 941034231 /nfs/dbraw/zinc/03/42/31/941034231.db2.gz ULTWALLADFXRSE-UHFFFAOYSA-N 2 1 357.885 3.906 20 0 FHADMP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000580113810 941059884 /nfs/dbraw/zinc/05/98/84/941059884.db2.gz YCGLPOZPVDSECX-RTBURBONSA-N 2 1 361.549 3.543 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC(F)F ZINC000647542997 941062839 /nfs/dbraw/zinc/06/28/39/941062839.db2.gz GFFDRRJYCNTUEZ-CVEARBPZSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C(F)(F)F ZINC000414403503 941103335 /nfs/dbraw/zinc/10/33/35/941103335.db2.gz GRQFURUFQBEHEI-CGTJXYLNSA-N 2 1 356.432 3.697 20 0 FHADMP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000236589632 941128527 /nfs/dbraw/zinc/12/85/27/941128527.db2.gz WWPRPUJZLWGPCO-KDURUIRLSA-N 2 1 367.578 3.591 20 0 FHADMP C[NH2+][C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000659296913 941150423 /nfs/dbraw/zinc/15/04/23/941150423.db2.gz JGSFSLDLPWLNIK-KRWDZBQOSA-N 2 1 364.276 3.538 20 0 FHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000589217563 941245215 /nfs/dbraw/zinc/24/52/15/941245215.db2.gz GSQUFBTWDMWKAM-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121019 941252917 /nfs/dbraw/zinc/25/29/17/941252917.db2.gz LTHDDHGSBGDLQD-HIFRSBDPSA-N 2 1 357.311 3.841 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@@H+](C)CC(C)C)cc1 ZINC000650971385 941286259 /nfs/dbraw/zinc/28/62/59/941286259.db2.gz UULPEQCWPMFDLR-QGZVFWFLSA-N 2 1 371.529 3.519 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@H+](C)CC(C)C)cc1 ZINC000650971385 941286260 /nfs/dbraw/zinc/28/62/60/941286260.db2.gz UULPEQCWPMFDLR-QGZVFWFLSA-N 2 1 371.529 3.519 20 0 FHADMP Brc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549142969 941521323 /nfs/dbraw/zinc/52/13/23/941521323.db2.gz RCHYDMVVXGDAKR-AWEZNQCLSA-N 2 1 360.299 3.919 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415034290 941557275 /nfs/dbraw/zinc/55/72/75/941557275.db2.gz CPNFQFNHAIKSNO-OXQOHEQNSA-N 2 1 358.917 3.798 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4c3CCCN4)CC2)cc1 ZINC000415041307 941560589 /nfs/dbraw/zinc/56/05/89/941560589.db2.gz STLMSFYYMRJOIX-UHFFFAOYSA-N 2 1 367.512 3.981 20 0 FHADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)cc1 ZINC000468559966 941563274 /nfs/dbraw/zinc/56/32/74/941563274.db2.gz KYNJERBLLGSVEP-VOFKWLDRSA-N 2 1 360.542 3.663 20 0 FHADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCc1ccccc1 ZINC000415050371 941566225 /nfs/dbraw/zinc/56/62/25/941566225.db2.gz CBNFVMVJHBBVQZ-VGOFRKELSA-N 2 1 354.494 3.691 20 0 FHADMP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052877 941568099 /nfs/dbraw/zinc/56/80/99/941568099.db2.gz LWFHTVXRBVCIRP-PLYUQDFWSA-N 2 1 355.570 3.594 20 0 FHADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415083461 941592916 /nfs/dbraw/zinc/59/29/16/941592916.db2.gz FNRGSNRDRACQBX-FIRPJDEBSA-N 2 1 358.432 3.878 20 0 FHADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000415089381 941597565 /nfs/dbraw/zinc/59/75/65/941597565.db2.gz WMHKYGUUERJFKY-ABSDTBQOSA-N 2 1 357.448 3.626 20 0 FHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1F ZINC000377253385 941598113 /nfs/dbraw/zinc/59/81/13/941598113.db2.gz CILHJUDKGLQIJF-BPXKWBHBSA-N 2 1 371.500 3.691 20 0 FHADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1F ZINC000377253385 941598115 /nfs/dbraw/zinc/59/81/15/941598115.db2.gz CILHJUDKGLQIJF-BPXKWBHBSA-N 2 1 371.500 3.691 20 0 FHADMP COc1cccc(C([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c2cccc(OC)c2)c1 ZINC000415090957 941601092 /nfs/dbraw/zinc/60/10/92/941601092.db2.gz ZYKFBHBUVFGNGW-VQIMIIECSA-N 2 1 354.494 3.913 20 0 FHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000415100600 941603618 /nfs/dbraw/zinc/60/36/18/941603618.db2.gz AVUQKJVDJLLZAK-RHSMWYFYSA-N 2 1 361.288 3.851 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415129338 941622999 /nfs/dbraw/zinc/62/29/99/941622999.db2.gz PGRDCMLWVXJSHN-WMZOPIPTSA-N 2 1 370.541 3.730 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131529 941624094 /nfs/dbraw/zinc/62/40/94/941624094.db2.gz SOGHNSGPUSURCF-YLJYHZDGSA-N 2 1 354.494 3.691 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136970 941626112 /nfs/dbraw/zinc/62/61/12/941626112.db2.gz IJDIWHLUYSPOFO-IRLDBZIGSA-N 2 1 366.480 3.693 20 0 FHADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231108 941788514 /nfs/dbraw/zinc/78/85/14/941788514.db2.gz BTSXYFXVKUEYKU-FPOVZHCZSA-N 2 1 373.585 3.519 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000513223810 941795647 /nfs/dbraw/zinc/79/56/47/941795647.db2.gz YIBYXGBTQSXDEF-IBGZPJMESA-N 2 1 359.558 3.770 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695275330 941812728 /nfs/dbraw/zinc/81/27/28/941812728.db2.gz STEFAIJSFLOKAI-GOSISDBHSA-N 2 1 367.578 3.878 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695275331 941812797 /nfs/dbraw/zinc/81/27/97/941812797.db2.gz STEFAIJSFLOKAI-SFHVURJKSA-N 2 1 367.578 3.878 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000066795623 941856492 /nfs/dbraw/zinc/85/64/92/941856492.db2.gz UJFXZZIUIYZPRB-NRFANRHFSA-N 2 1 351.494 3.501 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000066795623 941856495 /nfs/dbraw/zinc/85/64/95/941856495.db2.gz UJFXZZIUIYZPRB-NRFANRHFSA-N 2 1 351.494 3.501 20 0 FHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCN(C(=O)CC(C)C)CC2)CC1 ZINC000377644934 941863045 /nfs/dbraw/zinc/86/30/45/941863045.db2.gz FXUMNWZVRUWCPQ-UHFFFAOYSA-N 2 1 373.541 3.518 20 0 FHADMP CN1CCN([C@@H]2CCCC[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692876 941906686 /nfs/dbraw/zinc/90/66/86/941906686.db2.gz GZZPHORAADSWHG-YTFSRNRJSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692876 941906690 /nfs/dbraw/zinc/90/66/90/941906690.db2.gz GZZPHORAADSWHG-YTFSRNRJSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692876 941906693 /nfs/dbraw/zinc/90/66/93/941906693.db2.gz GZZPHORAADSWHG-YTFSRNRJSA-N 2 1 355.570 3.599 20 0 FHADMP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709265 941917459 /nfs/dbraw/zinc/91/74/59/941917459.db2.gz UVQZQXGUMUBYTQ-UHFFFAOYSA-N 2 1 365.456 3.507 20 0 FHADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000513460824 941939901 /nfs/dbraw/zinc/93/99/01/941939901.db2.gz IKMFEDGACBZWCG-MSOLQXFVSA-N 2 1 369.347 3.583 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(Cl)cc1F ZINC000431850998 941951719 /nfs/dbraw/zinc/95/17/19/941951719.db2.gz YXMNSAJJYJRHLR-UHFFFAOYSA-N 2 1 368.928 3.507 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000513510738 941982613 /nfs/dbraw/zinc/98/26/13/941982613.db2.gz FWCSFWCQHZEDIV-FUHWJXTLSA-N 2 1 358.555 3.599 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000509932082 941990754 /nfs/dbraw/zinc/99/07/54/941990754.db2.gz SAPHSWVRNOLBNM-KDURUIRLSA-N 2 1 354.542 3.935 20 0 FHADMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1O ZINC000513546738 942006293 /nfs/dbraw/zinc/00/62/93/942006293.db2.gz ZMLJNISPGPYCFK-PXNSSMCTSA-N 2 1 354.494 3.791 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nccc4ccccc43)CC2)oc1C ZINC000894232289 942027584 /nfs/dbraw/zinc/02/75/84/942027584.db2.gz VPYIEBZMNLYGAP-UHFFFAOYSA-N 2 1 364.493 3.841 20 0 FHADMP CCOc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000434026445 942052636 /nfs/dbraw/zinc/05/26/36/942052636.db2.gz FFWRGQJIPIIOTI-UGKGYDQZSA-N 2 1 369.509 3.614 20 0 FHADMP CCOc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000434026445 942052639 /nfs/dbraw/zinc/05/26/39/942052639.db2.gz FFWRGQJIPIIOTI-UGKGYDQZSA-N 2 1 369.509 3.614 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513656721 942059129 /nfs/dbraw/zinc/05/91/29/942059129.db2.gz WVLBEKCVTXJXKA-COXVUDFISA-N 2 1 355.295 3.593 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000501849661 942076894 /nfs/dbraw/zinc/07/68/94/942076894.db2.gz KDTNCCYBCLFBGF-UHFFFAOYSA-N 2 1 361.961 3.845 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415908483 942127842 /nfs/dbraw/zinc/12/78/42/942127842.db2.gz PPWGMBPYWPOSID-NRFANRHFSA-N 2 1 366.509 3.582 20 0 FHADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513691105 942140898 /nfs/dbraw/zinc/14/08/98/942140898.db2.gz QZBDVTVZGFHHPJ-OTWHNJEPSA-N 2 1 353.510 3.850 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000415924722 942154038 /nfs/dbraw/zinc/15/40/38/942154038.db2.gz SAVRWQHFKYXXIG-RBUKOAKNSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000415924722 942154047 /nfs/dbraw/zinc/15/40/47/942154047.db2.gz SAVRWQHFKYXXIG-RBUKOAKNSA-N 2 1 372.900 3.626 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000415927681 942164773 /nfs/dbraw/zinc/16/47/73/942164773.db2.gz DMMPQGUOPJNWSR-YLJYHZDGSA-N 2 1 366.509 3.581 20 0 FHADMP CO[C@]1(C)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000280392881 942174419 /nfs/dbraw/zinc/17/44/19/942174419.db2.gz XCRJFLUNOHMBPY-JOCHJYFZSA-N 2 1 359.558 3.608 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415954031 942195688 /nfs/dbraw/zinc/19/56/88/942195688.db2.gz LVTBRJPUKJQTNX-FXAWDEMLSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415956222 942197967 /nfs/dbraw/zinc/19/79/67/942197967.db2.gz NTNFTJZBNFUKGH-HXUWFJFHSA-N 2 1 366.509 3.582 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000415967681 942213265 /nfs/dbraw/zinc/21/32/65/942213265.db2.gz BTHMIKKWZHUVKB-HKUYNNGSSA-N 2 1 358.530 3.524 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000415968485 942214667 /nfs/dbraw/zinc/21/46/67/942214667.db2.gz DFELFBHAFWAZHU-HXUWFJFHSA-N 2 1 358.530 3.572 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000415969616 942215221 /nfs/dbraw/zinc/21/52/21/942215221.db2.gz GRLONHQYOYTEBT-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000415976499 942219485 /nfs/dbraw/zinc/21/94/85/942219485.db2.gz AJEGGTIQRVSSLI-UHFFFAOYSA-N 2 1 366.509 3.582 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977446 942220204 /nfs/dbraw/zinc/22/02/04/942220204.db2.gz YHOGFQDYLGCPHB-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415982311 942225994 /nfs/dbraw/zinc/22/59/94/942225994.db2.gz KUGIOCGRCYFUFT-QZTJIDSGSA-N 2 1 366.509 3.533 20 0 FHADMP Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414475720 942228944 /nfs/dbraw/zinc/22/89/44/942228944.db2.gz YFFSGGZTJMJANL-JOCHJYFZSA-N 2 1 366.553 3.851 20 0 FHADMP Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414475720 942228950 /nfs/dbraw/zinc/22/89/50/942228950.db2.gz YFFSGGZTJMJANL-JOCHJYFZSA-N 2 1 366.553 3.851 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(OC)cc1 ZINC000420899596 942244828 /nfs/dbraw/zinc/24/48/28/942244828.db2.gz GDGZRXZGPCQMOT-UHFFFAOYSA-N 2 1 354.494 3.550 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(OC)cc1 ZINC000420899596 942244833 /nfs/dbraw/zinc/24/48/33/942244833.db2.gz GDGZRXZGPCQMOT-UHFFFAOYSA-N 2 1 354.494 3.550 20 0 FHADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420914873 942266594 /nfs/dbraw/zinc/26/65/94/942266594.db2.gz KRUKXLASBBFNCY-BDTNDASRSA-N 2 1 372.553 3.544 20 0 FHADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420914873 942266598 /nfs/dbraw/zinc/26/65/98/942266598.db2.gz KRUKXLASBBFNCY-BDTNDASRSA-N 2 1 372.553 3.544 20 0 FHADMP C[N@@H+](CCCOCCc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062303 942284716 /nfs/dbraw/zinc/28/47/16/942284716.db2.gz JBHPBHSYUWPSGT-UHFFFAOYSA-N 2 1 367.537 3.879 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977083 942287794 /nfs/dbraw/zinc/28/77/94/942287794.db2.gz HQXGIUAIFITDPS-OAQYLSRUSA-N 2 1 361.961 3.819 20 0 FHADMP CCn1c(C)cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501071137 942294720 /nfs/dbraw/zinc/29/47/20/942294720.db2.gz VJCDGQOAZZKBNR-UHFFFAOYSA-N 2 1 368.525 3.551 20 0 FHADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501074122 942295974 /nfs/dbraw/zinc/29/59/74/942295974.db2.gz BTGPCZUTZJCCGG-GOSISDBHSA-N 2 1 366.509 3.565 20 0 FHADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OCc1ccc(F)cc1 ZINC000237152561 942312483 /nfs/dbraw/zinc/31/24/83/942312483.db2.gz OWIPNTSSZYNMIH-UHFFFAOYSA-N 2 1 372.484 3.989 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccc(CNc3[nH+]ccc4cc(F)ccc43)cc2)C1 ZINC000664237211 942364076 /nfs/dbraw/zinc/36/40/76/942364076.db2.gz QUPWADXAVXQTST-IBGZPJMESA-N 2 1 351.425 3.553 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(CNc3[nH+]ccc4cc(F)ccc43)cc2)C1 ZINC000664237211 942364080 /nfs/dbraw/zinc/36/40/80/942364080.db2.gz QUPWADXAVXQTST-IBGZPJMESA-N 2 1 351.425 3.553 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134956 942379689 /nfs/dbraw/zinc/37/96/89/942379689.db2.gz QBFWOCRZPKSZPW-STZQEDGTSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cc1 ZINC000378207877 942388707 /nfs/dbraw/zinc/38/87/07/942388707.db2.gz SQHNQBQMANGBPV-GOSISDBHSA-N 2 1 357.542 3.617 20 0 FHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501419502 942467653 /nfs/dbraw/zinc/46/76/53/942467653.db2.gz GXSVORPYHMNLNT-AUSIDOKSSA-N 2 1 365.521 3.730 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000501425149 942470744 /nfs/dbraw/zinc/47/07/44/942470744.db2.gz ODZRIBAPUOGULX-SFHVURJKSA-N 2 1 368.521 3.768 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000501425149 942470746 /nfs/dbraw/zinc/47/07/46/942470746.db2.gz ODZRIBAPUOGULX-SFHVURJKSA-N 2 1 368.521 3.768 20 0 FHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000501431241 942474991 /nfs/dbraw/zinc/47/49/91/942474991.db2.gz AVHLECXKKGRGPF-TZIWHRDSSA-N 2 1 357.542 3.733 20 0 FHADMP FC(F)(F)c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831786 942476776 /nfs/dbraw/zinc/47/67/76/942476776.db2.gz PSYGWIIVPFGMEM-FUNVUKJBSA-N 2 1 363.221 3.841 20 0 FHADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000647938306 942486902 /nfs/dbraw/zinc/48/69/02/942486902.db2.gz JIQAMJOFJZEDHC-MJGOQNOKSA-N 2 1 367.493 3.867 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@]3(CO)C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000421342812 942495774 /nfs/dbraw/zinc/49/57/74/942495774.db2.gz OOAFYTHBTNPPMH-QRWLVFNGSA-N 2 1 365.587 3.577 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@]3(CO)C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000421342812 942495778 /nfs/dbraw/zinc/49/57/78/942495778.db2.gz OOAFYTHBTNPPMH-QRWLVFNGSA-N 2 1 365.587 3.577 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000421363606 942515253 /nfs/dbraw/zinc/51/52/53/942515253.db2.gz QGIFDCPHJHNBCU-NVXWUHKLSA-N 2 1 370.497 3.518 20 0 FHADMP C[NH+](C)Cc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425050795 942522896 /nfs/dbraw/zinc/52/28/96/942522896.db2.gz ZEIHMXSCNAXHQO-UHFFFAOYSA-N 2 1 372.538 3.614 20 0 FHADMP Cn1c(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)nc2cc(Cl)ccc21 ZINC000378290680 942539306 /nfs/dbraw/zinc/53/93/06/942539306.db2.gz GSZFSYYCSWALCI-UHFFFAOYSA-N 2 1 369.900 3.723 20 0 FHADMP Cc1occc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000414448905 942607982 /nfs/dbraw/zinc/60/79/82/942607982.db2.gz ABJONXTUOAADRR-OAQYLSRUSA-N 2 1 354.494 3.606 20 0 FHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420300080 942611216 /nfs/dbraw/zinc/61/12/16/942611216.db2.gz HBBFRHQSQKXZOW-HXOBKFHXSA-N 2 1 366.505 3.651 20 0 FHADMP Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420319494 942620400 /nfs/dbraw/zinc/62/04/00/942620400.db2.gz AEYGZMPYGPSBOD-KGLIPLIRSA-N 2 1 363.477 3.910 20 0 FHADMP c1sc(CCc2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336511 942622231 /nfs/dbraw/zinc/62/22/31/942622231.db2.gz MDIFHROLGMISNE-FQEVSTJZSA-N 2 1 355.551 3.892 20 0 FHADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1-c1ccccc1 ZINC000420340473 942624024 /nfs/dbraw/zinc/62/40/24/942624024.db2.gz PLFOSQCDYQSXTB-BGYRXZFFSA-N 2 1 363.505 3.614 20 0 FHADMP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346355 942626541 /nfs/dbraw/zinc/62/65/41/942626541.db2.gz WNKKTUPHTSGUMR-IYBDPMFKSA-N 2 1 356.432 3.796 20 0 FHADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420361195 942638805 /nfs/dbraw/zinc/63/88/05/942638805.db2.gz HXNWOYMBBZUIOS-DRSNIGMVSA-N 2 1 367.493 3.784 20 0 FHADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420363063 942639789 /nfs/dbraw/zinc/63/97/89/942639789.db2.gz NRWSAEHXCUHAJX-PMACEKPBSA-N 2 1 371.569 3.625 20 0 FHADMP COc1cccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1OCc1ccccc1F ZINC000420363713 942640172 /nfs/dbraw/zinc/64/01/72/942640172.db2.gz CBRNLEXUUIMBEP-KRWDZBQOSA-N 2 1 372.484 3.845 20 0 FHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000312147113 942645524 /nfs/dbraw/zinc/64/55/24/942645524.db2.gz SHMHLEYIWFPQLL-QGZVFWFLSA-N 2 1 373.541 3.804 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000312147113 942645527 /nfs/dbraw/zinc/64/55/27/942645527.db2.gz SHMHLEYIWFPQLL-QGZVFWFLSA-N 2 1 373.541 3.804 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383423 942648273 /nfs/dbraw/zinc/64/82/73/942648273.db2.gz ZRKYQUYPEIVGPA-DOTOQJQBSA-N 2 1 356.432 3.792 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000514009976 942667297 /nfs/dbraw/zinc/66/72/97/942667297.db2.gz QKSLRKFGKPZSRI-UHFFFAOYSA-N 2 1 352.906 3.806 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000514009976 942667309 /nfs/dbraw/zinc/66/73/09/942667309.db2.gz QKSLRKFGKPZSRI-UHFFFAOYSA-N 2 1 352.906 3.806 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000514082727 942733998 /nfs/dbraw/zinc/73/39/98/942733998.db2.gz IDXDXDLNQDXRFM-SLFFLAALSA-N 2 1 355.457 3.975 20 0 FHADMP Cc1nc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cs1 ZINC000502867899 942815002 /nfs/dbraw/zinc/81/50/02/942815002.db2.gz GIQFVWXDSDULKW-OAQYLSRUSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1nc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cs1 ZINC000502867899 942815004 /nfs/dbraw/zinc/81/50/04/942815004.db2.gz GIQFVWXDSDULKW-OAQYLSRUSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cs1 ZINC000502867899 942815007 /nfs/dbraw/zinc/81/50/07/942815007.db2.gz GIQFVWXDSDULKW-OAQYLSRUSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cs1 ZINC000502867899 942815009 /nfs/dbraw/zinc/81/50/09/942815009.db2.gz GIQFVWXDSDULKW-OAQYLSRUSA-N 2 1 355.551 3.982 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000514211159 942820548 /nfs/dbraw/zinc/82/05/48/942820548.db2.gz OHJJVEMCHZZVKQ-FFZOFVMBSA-N 2 1 368.949 3.754 20 0 FHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccncc1Cl ZINC000421818394 942845574 /nfs/dbraw/zinc/84/55/74/942845574.db2.gz AQLKLLJVSRAAJE-LAUBAEHRSA-N 2 1 372.944 3.764 20 0 FHADMP C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000378522401 942849670 /nfs/dbraw/zinc/84/96/70/942849670.db2.gz SLRLIJVBAMNHEQ-AEFFLSMTSA-N 2 1 374.573 3.586 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000421847451 942858861 /nfs/dbraw/zinc/85/88/61/942858861.db2.gz XMHKCWDEIWRHCZ-GDIGMMSISA-N 2 1 366.933 3.767 20 0 FHADMP C[C@@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414559178 942882672 /nfs/dbraw/zinc/88/26/72/942882672.db2.gz PHGVHSRUHBDCQT-NUDGRNCOSA-N 2 1 368.565 3.674 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378569170 942902149 /nfs/dbraw/zinc/90/21/49/942902149.db2.gz PQBFSIWDCPLLSK-YSIASYRMSA-N 2 1 363.505 3.613 20 0 FHADMP CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(C4CCC4)cc3)CC2)CC1 ZINC000422022656 942940966 /nfs/dbraw/zinc/94/09/66/942940966.db2.gz PDUINLBYFFZTOB-UHFFFAOYSA-N 2 1 369.553 3.586 20 0 FHADMP CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(C4CCC4)cc3)CC2)CC1 ZINC000422022656 942940972 /nfs/dbraw/zinc/94/09/72/942940972.db2.gz PDUINLBYFFZTOB-UHFFFAOYSA-N 2 1 369.553 3.586 20 0 FHADMP C[N@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363886963 942962919 /nfs/dbraw/zinc/96/29/19/942962919.db2.gz JZYWONYCMLUOPC-LJQANCHMSA-N 2 1 372.538 3.738 20 0 FHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000503122647 942989409 /nfs/dbraw/zinc/98/94/09/942989409.db2.gz ZXBVIWDXDITVEC-MOPGFXCFSA-N 2 1 374.573 3.680 20 0 FHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856801 943005676 /nfs/dbraw/zinc/00/56/76/943005676.db2.gz AVACHBJCHLVFEY-OAHLLOKOSA-N 2 1 351.416 3.801 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856993 943030344 /nfs/dbraw/zinc/03/03/44/943030344.db2.gz ZYWOTRSGDJTPCG-DYVFJYSZSA-N 2 1 371.447 3.920 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000414651763 943102642 /nfs/dbraw/zinc/10/26/42/943102642.db2.gz GDXVOIMVAWRJOR-LJQANCHMSA-N 2 1 360.505 3.937 20 0 FHADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc2)c1 ZINC000414654726 943115577 /nfs/dbraw/zinc/11/55/77/943115577.db2.gz GMAOSIVRISXIRA-VFNWGFHPSA-N 2 1 356.466 3.665 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661876 943132823 /nfs/dbraw/zinc/13/28/23/943132823.db2.gz QOUCWSZIEINVNB-DOTOQJQBSA-N 2 1 360.523 3.895 20 0 FHADMP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392765 943149286 /nfs/dbraw/zinc/14/92/86/943149286.db2.gz YFIASHPIRTXXAX-IEBWSBKVSA-N 2 1 370.566 3.612 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414663683 943157920 /nfs/dbraw/zinc/15/79/20/943157920.db2.gz BSCUGGBASLUUFH-OAHLLOKOSA-N 2 1 360.933 3.865 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414663683 943157925 /nfs/dbraw/zinc/15/79/25/943157925.db2.gz BSCUGGBASLUUFH-OAHLLOKOSA-N 2 1 360.933 3.865 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665891 943165286 /nfs/dbraw/zinc/16/52/86/943165286.db2.gz VSJUZYOBYBZQDI-FUHWJXTLSA-N 2 1 354.494 3.930 20 0 FHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648844 943192560 /nfs/dbraw/zinc/19/25/60/943192560.db2.gz JTUFACAGJOHEBD-FPOVZHCZSA-N 2 1 371.569 3.524 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924954983 943192919 /nfs/dbraw/zinc/19/29/19/943192919.db2.gz YWCMXUVKVJDFDM-BLLLJJGKSA-N 2 1 363.303 3.652 20 0 FHADMP CCCCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673004 943202281 /nfs/dbraw/zinc/20/22/81/943202281.db2.gz BJWJEOKOOWDZQG-SFHVURJKSA-N 2 1 365.949 3.530 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000422638934 943207027 /nfs/dbraw/zinc/20/70/27/943207027.db2.gz RUWDMSMEGKDSJZ-UWVAXJGDSA-N 2 1 351.494 3.744 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000510025208 943209464 /nfs/dbraw/zinc/20/94/64/943209464.db2.gz ZXCPRQVWQSVUMP-UHFFFAOYSA-N 2 1 351.498 3.855 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000514687646 943215838 /nfs/dbraw/zinc/21/58/38/943215838.db2.gz UDQSCVDDHPUBHV-QWHCGFSZSA-N 2 1 368.294 3.950 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414678937 943222681 /nfs/dbraw/zinc/22/26/81/943222681.db2.gz YOYTZAJDKDKRSB-ZMSDIMECSA-N 2 1 352.906 3.697 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414678937 943222688 /nfs/dbraw/zinc/22/26/88/943222688.db2.gz YOYTZAJDKDKRSB-ZMSDIMECSA-N 2 1 352.906 3.697 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])c2)cc1 ZINC000422713223 943252376 /nfs/dbraw/zinc/25/23/76/943252376.db2.gz PAZVEQRLIQTDMJ-SFTDATJTSA-N 2 1 351.494 3.997 20 0 FHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718314 943256838 /nfs/dbraw/zinc/25/68/38/943256838.db2.gz WYFRUGLRVUJNEH-PMACEKPBSA-N 2 1 355.457 3.828 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC3 ZINC000273002328 943259038 /nfs/dbraw/zinc/25/90/38/943259038.db2.gz XWGHCEYRBGKTOH-XYTVBORESA-N 2 1 353.510 3.639 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC3 ZINC000273002328 943259040 /nfs/dbraw/zinc/25/90/40/943259040.db2.gz XWGHCEYRBGKTOH-XYTVBORESA-N 2 1 353.510 3.639 20 0 FHADMP CC(C)(C)c1csc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422747260 943270553 /nfs/dbraw/zinc/27/05/53/943270553.db2.gz YGWKHJZXXSDEHY-YWZLYKJASA-N 2 1 357.523 3.786 20 0 FHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505636925 943270750 /nfs/dbraw/zinc/27/07/50/943270750.db2.gz QEYFOLVIKRVTCE-RYGJVYDSSA-N 2 1 373.928 3.750 20 0 FHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000503577237 943272041 /nfs/dbraw/zinc/27/20/41/943272041.db2.gz KWVBIFXNBYCZHE-IBGZPJMESA-N 2 1 353.510 3.607 20 0 FHADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755474 943274148 /nfs/dbraw/zinc/27/41/48/943274148.db2.gz HYQFOJZAWSAELO-ODAXIHTASA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754793 943274167 /nfs/dbraw/zinc/27/41/67/943274167.db2.gz GERFYSQVVPJWHB-HFTRVMKXSA-N 3 1 357.464 3.805 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754793 943274171 /nfs/dbraw/zinc/27/41/71/943274171.db2.gz GERFYSQVVPJWHB-HFTRVMKXSA-N 3 1 357.464 3.805 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832695 943299575 /nfs/dbraw/zinc/29/95/75/943299575.db2.gz VIXSASJHYQGAGW-CZTZKLFOSA-N 2 1 359.558 3.588 20 0 FHADMP C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000422846186 943313057 /nfs/dbraw/zinc/31/30/57/943313057.db2.gz PMCTZSRPOJGWRI-ACJLOTCBSA-N 2 1 362.880 3.774 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873486 943322457 /nfs/dbraw/zinc/32/24/57/943322457.db2.gz AOUGGPHQKLMXTE-MHXAIHSWSA-N 3 1 371.569 3.590 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422905703 943326532 /nfs/dbraw/zinc/32/65/32/943326532.db2.gz ITGVMIDSXJRJHH-CTSMQSTOSA-N 2 1 363.549 3.730 20 0 FHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422927545 943334753 /nfs/dbraw/zinc/33/47/53/943334753.db2.gz GRBYSPWAERFEBG-MBOZVWFJSA-N 2 1 356.853 3.619 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000414705542 943339636 /nfs/dbraw/zinc/33/96/36/943339636.db2.gz FLGPWYXYEPSEBA-UHFFFAOYSA-N 2 1 370.541 3.882 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000414707259 943342677 /nfs/dbraw/zinc/34/26/77/943342677.db2.gz HLRHGXUWFMKGDP-IEBWSBKVSA-N 2 1 370.541 3.524 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422951499 943347413 /nfs/dbraw/zinc/34/74/13/943347413.db2.gz YUQVFUAKQWNXCZ-KBXCAEBGSA-N 2 1 352.400 3.632 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)C[C@H](C)O1 ZINC000422958868 943350152 /nfs/dbraw/zinc/35/01/52/943350152.db2.gz ZDPHSYDNJMGGIO-PNBTUHDLSA-N 2 1 357.542 3.628 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374274 943355776 /nfs/dbraw/zinc/35/57/76/943355776.db2.gz PXIZCIMUQPTWSY-JKSUJKDBSA-N 2 1 352.507 3.770 20 0 FHADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C[NH3+])C1CC1 ZINC000414711105 943362885 /nfs/dbraw/zinc/36/28/85/943362885.db2.gz LWLRQGNXYFDYTO-HXUWFJFHSA-N 2 1 358.530 3.652 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000435377010 943366434 /nfs/dbraw/zinc/36/64/34/943366434.db2.gz XBAITTCJQYLAAT-WBVHZDCISA-N 2 1 350.466 3.610 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@H]12 ZINC000435379149 943367946 /nfs/dbraw/zinc/36/79/46/943367946.db2.gz LFCJNUUZOLSUQW-MOXGXCLJSA-N 2 1 369.896 3.761 20 0 FHADMP C[NH2+]CCC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000435380165 943369071 /nfs/dbraw/zinc/36/90/71/943369071.db2.gz PSKCRJQKWMXVOL-UHFFFAOYSA-N 2 1 359.539 3.852 20 0 FHADMP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423034143 943372555 /nfs/dbraw/zinc/37/25/55/943372555.db2.gz PLTPSGYKVYTRBF-NJDAHSKKSA-N 2 1 363.505 3.541 20 0 FHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423061568 943378662 /nfs/dbraw/zinc/37/86/62/943378662.db2.gz KYIMVXSIBKNBJG-ZRBLBEILSA-N 2 1 350.506 3.909 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435394877 943381524 /nfs/dbraw/zinc/38/15/24/943381524.db2.gz PLGRVCIMIYPPGK-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435394877 943381533 /nfs/dbraw/zinc/38/15/33/943381533.db2.gz PLGRVCIMIYPPGK-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049579 943383952 /nfs/dbraw/zinc/38/39/52/943383952.db2.gz KGUIJDUFKNLBGU-INDMIFKZSA-N 2 1 369.475 3.818 20 0 FHADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCc1ccccc1 ZINC000435397417 943391010 /nfs/dbraw/zinc/39/10/10/943391010.db2.gz GQGFWWZXTMBBHA-WCRBZPEASA-N 2 1 366.505 3.989 20 0 FHADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCc1ccccc1 ZINC000435397417 943391016 /nfs/dbraw/zinc/39/10/16/943391016.db2.gz GQGFWWZXTMBBHA-WCRBZPEASA-N 2 1 366.505 3.989 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1c[nH+]ccc1N ZINC000423096975 943393537 /nfs/dbraw/zinc/39/35/37/943393537.db2.gz QEGCIKSURHYESC-DRZSPHRISA-N 2 1 364.262 3.993 20 0 FHADMP C[C@@H](Cc1ccccc1)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421148 943402018 /nfs/dbraw/zinc/40/20/18/943402018.db2.gz IAAANJPFEUKBJX-PKOBYXMFSA-N 2 1 355.551 3.966 20 0 FHADMP C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423107696 943403603 /nfs/dbraw/zinc/40/36/03/943403603.db2.gz QANYTWARTQTUAV-XWIAVFTESA-N 2 1 356.432 3.903 20 0 FHADMP c1csc(C[N@H+](Cc2ccc3c(c2)CCC3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435423404 943403753 /nfs/dbraw/zinc/40/37/53/943403753.db2.gz QEMXRJOHCUZWTE-LJQANCHMSA-N 2 1 353.535 3.776 20 0 FHADMP c1csc(C[N@@H+](Cc2ccc3c(c2)CCC3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435423404 943403758 /nfs/dbraw/zinc/40/37/58/943403758.db2.gz QEMXRJOHCUZWTE-LJQANCHMSA-N 2 1 353.535 3.776 20 0 FHADMP C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112152 943405313 /nfs/dbraw/zinc/40/53/13/943405313.db2.gz XFPMFRMUAUWKMV-RMGXSAEISA-N 2 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112152 943405317 /nfs/dbraw/zinc/40/53/17/943405317.db2.gz XFPMFRMUAUWKMV-RMGXSAEISA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112152 943405320 /nfs/dbraw/zinc/40/53/20/943405320.db2.gz XFPMFRMUAUWKMV-RMGXSAEISA-N 3 1 361.961 3.984 20 0 FHADMP COC(=O)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000514942452 943408659 /nfs/dbraw/zinc/40/86/59/943408659.db2.gz ZZEKGOXUTADZGK-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000514942452 943408661 /nfs/dbraw/zinc/40/86/61/943408661.db2.gz ZZEKGOXUTADZGK-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000514942452 943408664 /nfs/dbraw/zinc/40/86/64/943408664.db2.gz ZZEKGOXUTADZGK-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000514942452 943408666 /nfs/dbraw/zinc/40/86/66/943408666.db2.gz ZZEKGOXUTADZGK-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP Cc1cccn2c(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cnc12 ZINC000435430681 943408880 /nfs/dbraw/zinc/40/88/80/943408880.db2.gz DRYWWGNBEWNPCF-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP Cc1cccn2c(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cnc12 ZINC000435430681 943408882 /nfs/dbraw/zinc/40/88/82/943408882.db2.gz DRYWWGNBEWNPCF-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000584691163 943411538 /nfs/dbraw/zinc/41/15/38/943411538.db2.gz UMTDCMMPWHVSSM-GHTZIAJQSA-N 2 1 357.542 3.617 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000563060990 943413739 /nfs/dbraw/zinc/41/37/39/943413739.db2.gz SHOJXVKWKIJZSZ-ROUUACIJSA-N 2 1 365.521 3.868 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(OC(F)(F)F)cc1 ZINC000423183341 943419365 /nfs/dbraw/zinc/41/93/65/943419365.db2.gz GKUMSSMBJZIMPL-AWEZNQCLSA-N 2 1 353.388 3.811 20 0 FHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc2c(s1)CCC2 ZINC000423158842 943420967 /nfs/dbraw/zinc/42/09/67/943420967.db2.gz DOPPMSDJKCGQOJ-GQWAEJPESA-N 2 1 355.507 3.538 20 0 FHADMP CCn1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000514971645 943424946 /nfs/dbraw/zinc/42/49/46/943424946.db2.gz ALNSWVFZSYKESB-QFIPXVFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCn1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000514971645 943424951 /nfs/dbraw/zinc/42/49/51/943424951.db2.gz ALNSWVFZSYKESB-QFIPXVFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000514971645 943424957 /nfs/dbraw/zinc/42/49/57/943424957.db2.gz ALNSWVFZSYKESB-QFIPXVFZSA-N 2 1 352.526 3.618 20 0 FHADMP CCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000514971645 943424964 /nfs/dbraw/zinc/42/49/64/943424964.db2.gz ALNSWVFZSYKESB-QFIPXVFZSA-N 2 1 352.526 3.618 20 0 FHADMP COc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000423189542 943435721 /nfs/dbraw/zinc/43/57/21/943435721.db2.gz PPSIISGIXCICHO-HSZRJFAPSA-N 2 1 361.489 3.949 20 0 FHADMP CC(C)c1ccc([C@H](N)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232024 943453692 /nfs/dbraw/zinc/45/36/92/943453692.db2.gz BSZBKHIVCIVXFR-GIWBLDEGSA-N 2 1 365.521 3.655 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ncc(Br)cc1F ZINC000423293132 943465973 /nfs/dbraw/zinc/46/59/73/943465973.db2.gz PWAHKSCHWDUSCD-WDEREUQCSA-N 2 1 352.251 3.854 20 0 FHADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000423293131 943466045 /nfs/dbraw/zinc/46/60/45/943466045.db2.gz PWAHKSCHWDUSCD-QWRGUYRKSA-N 2 1 352.251 3.854 20 0 FHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423297618 943476069 /nfs/dbraw/zinc/47/60/69/943476069.db2.gz LAYVMLHTAJORJJ-NXHRZFHOSA-N 2 1 352.494 3.942 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423337875 943484060 /nfs/dbraw/zinc/48/40/60/943484060.db2.gz UHQYUSLPHHZJRY-FQEVSTJZSA-N 2 1 359.558 3.683 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C1 ZINC000584723622 943490733 /nfs/dbraw/zinc/49/07/33/943490733.db2.gz ZWLPQGBPMDLRAM-PKOBYXMFSA-N 2 1 363.571 3.909 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423369210 943493657 /nfs/dbraw/zinc/49/36/57/943493657.db2.gz SQSQTGMEBIUPEX-WDEREUQCSA-N 2 1 350.356 3.682 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@@H]32)cc1 ZINC000423391076 943499950 /nfs/dbraw/zinc/49/99/50/943499950.db2.gz PFOUHZZVTNLTMU-HJOGWXRNSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@@H]32)cc1 ZINC000423391076 943499954 /nfs/dbraw/zinc/49/99/54/943499954.db2.gz PFOUHZZVTNLTMU-HJOGWXRNSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@@H]32)cc1 ZINC000423391076 943499959 /nfs/dbraw/zinc/49/99/59/943499959.db2.gz PFOUHZZVTNLTMU-HJOGWXRNSA-N 2 1 361.533 3.823 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000423444265 943512982 /nfs/dbraw/zinc/51/29/82/943512982.db2.gz WOIQMIRLDTWHGO-QRWLVFNGSA-N 2 1 354.498 3.656 20 0 FHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743362 943514090 /nfs/dbraw/zinc/51/40/90/943514090.db2.gz ITBOGRKRXCUVIQ-QZTJIDSGSA-N 2 1 365.521 3.563 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1nc2ccccc2n1C ZINC000423461348 943522777 /nfs/dbraw/zinc/52/27/77/943522777.db2.gz CDCZNPVLQWPAGH-VDZJLULYSA-N 2 1 366.484 3.756 20 0 FHADMP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435628248 943527588 /nfs/dbraw/zinc/52/75/88/943527588.db2.gz UDNFGDNDIWIFQA-IBGZPJMESA-N 2 1 359.901 3.888 20 0 FHADMP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435628248 943527590 /nfs/dbraw/zinc/52/75/90/943527590.db2.gz UDNFGDNDIWIFQA-IBGZPJMESA-N 2 1 359.901 3.888 20 0 FHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423505869 943531634 /nfs/dbraw/zinc/53/16/34/943531634.db2.gz GSTDHARWSGQPSI-WBMJQRKESA-N 2 1 365.930 3.801 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccsc3)CC2)c1C ZINC000584746815 943532749 /nfs/dbraw/zinc/53/27/49/943532749.db2.gz NLLHVHIKHIYTKR-UHFFFAOYSA-N 2 1 359.539 3.865 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccsc3)CC2)c1C ZINC000584746815 943532754 /nfs/dbraw/zinc/53/27/54/943532754.db2.gz NLLHVHIKHIYTKR-UHFFFAOYSA-N 2 1 359.539 3.865 20 0 FHADMP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@H]2C[NH2+]CCCO2)cs1 ZINC000423489305 943534905 /nfs/dbraw/zinc/53/49/05/943534905.db2.gz FWDHAVGMZYARQS-MJGOQNOKSA-N 2 1 364.942 3.962 20 0 FHADMP C[C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1Cc1ccccc1 ZINC000423530965 943538581 /nfs/dbraw/zinc/53/85/81/943538581.db2.gz RYPFMRCCFTVPFI-AYLRFPOSSA-N 2 1 367.581 3.783 20 0 FHADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414748540 943539810 /nfs/dbraw/zinc/53/98/10/943539810.db2.gz IQWNOHWRYGSNAK-HXUWFJFHSA-N 2 1 354.494 3.848 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423517476 943543274 /nfs/dbraw/zinc/54/32/74/943543274.db2.gz YXEINCAXYZOWQD-NMNUPHIUSA-N 2 1 351.538 3.749 20 0 FHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1OC(F)F ZINC000423520574 943544913 /nfs/dbraw/zinc/54/49/13/943544913.db2.gz RMOKFXQGPJPQNS-LEOMRAHMSA-N 2 1 367.484 3.545 20 0 FHADMP c1csc(C[N@@H+](CCSc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435687050 943546769 /nfs/dbraw/zinc/54/67/69/943546769.db2.gz BYYJLKUARUGILM-QGZVFWFLSA-N 2 1 359.564 3.880 20 0 FHADMP c1csc(C[N@H+](CCSc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435687050 943546774 /nfs/dbraw/zinc/54/67/74/943546774.db2.gz BYYJLKUARUGILM-QGZVFWFLSA-N 2 1 359.564 3.880 20 0 FHADMP C[C@@H]1CCSCC[NH+]1Cc1cncc(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000584761156 943547727 /nfs/dbraw/zinc/54/77/27/943547727.db2.gz HJUFUDQIOHLHAI-IAGOWNOFSA-N 2 1 365.612 3.736 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962251 943649966 /nfs/dbraw/zinc/64/99/66/943649966.db2.gz DQZDCPILNWALBD-LEWJYISDSA-N 2 1 357.542 3.521 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256701 943804751 /nfs/dbraw/zinc/80/47/51/943804751.db2.gz NRSYLGNXAWIHGL-GBESFXJTSA-N 2 1 363.590 3.514 20 0 FHADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424298934 943827031 /nfs/dbraw/zinc/82/70/31/943827031.db2.gz URSKWJKOXITWEG-GOSISDBHSA-N 2 1 365.521 3.657 20 0 FHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424274074 943830882 /nfs/dbraw/zinc/83/08/82/943830882.db2.gz VDIKWQYJXVWJCH-HXMRDFBYSA-N 2 1 372.553 3.589 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000424281589 943834709 /nfs/dbraw/zinc/83/47/09/943834709.db2.gz JJVJJHJMLRYZMO-AWEZNQCLSA-N 2 1 363.889 3.535 20 0 FHADMP COc1ccccc1-c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424301902 943850849 /nfs/dbraw/zinc/85/08/49/943850849.db2.gz YFDOETDTNYKNNS-HNNXBMFYSA-N 2 1 357.523 3.783 20 0 FHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CCCC[C@H]4[NH3+])cc3)nc12 ZINC000424363270 943867748 /nfs/dbraw/zinc/86/77/48/943867748.db2.gz BMWLTISYLASBIY-NHCUHLMSSA-N 2 1 364.493 3.581 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000516979993 943880626 /nfs/dbraw/zinc/88/06/26/943880626.db2.gz UGEFMJBHTYNYIS-WIYYLYMNSA-N 2 1 363.590 3.610 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OCc1ccc(F)cc1 ZINC000424372829 943883285 /nfs/dbraw/zinc/88/32/85/943883285.db2.gz WZGJAWRMZKBZMY-RTBURBONSA-N 2 1 358.457 3.773 20 0 FHADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000516964576 943885333 /nfs/dbraw/zinc/88/53/33/943885333.db2.gz WGFAFTJBZDVYJJ-AEFFLSMTSA-N 2 1 352.494 3.812 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1OCc1cccnc1)CC[NH2+]CC2 ZINC000424386474 943894257 /nfs/dbraw/zinc/89/42/57/943894257.db2.gz XDJPJRFJRQMOMJ-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000424442152 943917153 /nfs/dbraw/zinc/91/71/53/943917153.db2.gz XIRARZDOOHEYOB-PXNSSMCTSA-N 2 1 366.509 3.628 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000424428169 943923059 /nfs/dbraw/zinc/92/30/59/943923059.db2.gz RUAQESOESZNLBG-MOPGFXCFSA-N 2 1 372.900 3.674 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000424428169 943923071 /nfs/dbraw/zinc/92/30/71/943923071.db2.gz RUAQESOESZNLBG-MOPGFXCFSA-N 2 1 372.900 3.674 20 0 FHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)s2)cc1 ZINC000414789324 943931380 /nfs/dbraw/zinc/93/13/80/943931380.db2.gz OCRLMLXIIDLBGT-GOSISDBHSA-N 2 1 356.535 3.911 20 0 FHADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414792637 943946843 /nfs/dbraw/zinc/94/68/43/943946843.db2.gz CMWWVKWOXRCBBT-GUYCJALGSA-N 2 1 365.930 3.983 20 0 FHADMP [NH3+]C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC1 ZINC000414796357 943967269 /nfs/dbraw/zinc/96/72/69/943967269.db2.gz HRTUCTJRLNRWQW-HXUWFJFHSA-N 2 1 350.441 3.505 20 0 FHADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647937265 944030583 /nfs/dbraw/zinc/03/05/83/944030583.db2.gz URCUEGNCGSKJDQ-UTKZUKDTSA-N 2 1 367.493 3.867 20 0 FHADMP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487999 944067544 /nfs/dbraw/zinc/06/75/44/944067544.db2.gz BIIQYLRGINRMMY-CQSZACIVSA-N 2 1 351.332 3.928 20 0 FHADMP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CCO1 ZINC000664656070 944094407 /nfs/dbraw/zinc/09/44/07/944094407.db2.gz DKGWPEJASJSHAL-HNNXBMFYSA-N 2 1 367.415 3.801 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000500112685 944120508 /nfs/dbraw/zinc/12/05/08/944120508.db2.gz FDJJLSWUQACMBO-UHFFFAOYSA-N 2 1 361.549 3.986 20 0 FHADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000436235717 944139014 /nfs/dbraw/zinc/13/90/14/944139014.db2.gz ARPUESSOGCCVTL-ZLNRFVROSA-N 2 1 350.506 3.549 20 0 FHADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000436235717 944139020 /nfs/dbraw/zinc/13/90/20/944139020.db2.gz ARPUESSOGCCVTL-ZLNRFVROSA-N 2 1 350.506 3.549 20 0 FHADMP c1ccc([C@@H]2CC[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000436264417 944156259 /nfs/dbraw/zinc/15/62/59/944156259.db2.gz KGLMQDPARZUKDX-PKTZIBPZSA-N 2 1 350.506 3.945 20 0 FHADMP COCCC1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000436265692 944156571 /nfs/dbraw/zinc/15/65/71/944156571.db2.gz MLBPCLSBRWYAOT-UHFFFAOYSA-N 2 1 360.542 3.595 20 0 FHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000437842454 944157254 /nfs/dbraw/zinc/15/72/54/944157254.db2.gz LGFLPVKBFLEDJG-JOCHJYFZSA-N 2 1 369.553 3.809 20 0 FHADMP C[N@H+](CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1CCCCC1 ZINC000436278195 944158477 /nfs/dbraw/zinc/15/84/77/944158477.db2.gz CPODWEIRHXCQNF-UHFFFAOYSA-N 2 1 358.505 3.815 20 0 FHADMP C[N@@H+](CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1CCCCC1 ZINC000436278195 944158482 /nfs/dbraw/zinc/15/84/82/944158482.db2.gz CPODWEIRHXCQNF-UHFFFAOYSA-N 2 1 358.505 3.815 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000436282885 944161783 /nfs/dbraw/zinc/16/17/83/944161783.db2.gz SCDILWKZOOQIHR-UHFFFAOYSA-N 2 1 352.507 3.676 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000436282885 944161786 /nfs/dbraw/zinc/16/17/86/944161786.db2.gz SCDILWKZOOQIHR-UHFFFAOYSA-N 2 1 352.507 3.676 20 0 FHADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882038 944221766 /nfs/dbraw/zinc/22/17/66/944221766.db2.gz BJIYYFRKBLVDJS-SGTLLEGYSA-N 2 1 363.299 3.697 20 0 FHADMP CCCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000390460174 944224949 /nfs/dbraw/zinc/22/49/49/944224949.db2.gz GLWFYWZWWNBJMB-ZDUSSCGKSA-N 2 1 373.335 3.534 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167975072 944268873 /nfs/dbraw/zinc/26/88/73/944268873.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167975072 944268880 /nfs/dbraw/zinc/26/88/80/944268880.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167975072 944268889 /nfs/dbraw/zinc/26/88/89/944268889.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167975072 944268899 /nfs/dbraw/zinc/26/88/99/944268899.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167975072 944268910 /nfs/dbraw/zinc/26/89/10/944268910.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414883957 944272400 /nfs/dbraw/zinc/27/24/00/944272400.db2.gz TYASTUCHFNZYMZ-INIZCTEOSA-N 2 1 374.916 3.530 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436400765 944277054 /nfs/dbraw/zinc/27/70/54/944277054.db2.gz LOBSQLBUNXLIAF-FGCOXFRFSA-N 2 1 364.533 3.754 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474441 944299173 /nfs/dbraw/zinc/29/91/73/944299173.db2.gz MUHLMUUQLYZLFV-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474441 944299183 /nfs/dbraw/zinc/29/91/83/944299183.db2.gz MUHLMUUQLYZLFV-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474441 944299190 /nfs/dbraw/zinc/29/91/90/944299190.db2.gz MUHLMUUQLYZLFV-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474441 944299199 /nfs/dbraw/zinc/29/91/99/944299199.db2.gz MUHLMUUQLYZLFV-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP C[C@]1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311173268 944300965 /nfs/dbraw/zinc/30/09/65/944300965.db2.gz USMIUOQJCUPNMK-KZNAEPCWSA-N 2 1 356.432 3.598 20 0 FHADMP CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483933 944321290 /nfs/dbraw/zinc/32/12/90/944321290.db2.gz CXCDAOSXDLZCNV-AQNXPRMDSA-N 2 1 351.579 3.607 20 0 FHADMP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000436468774 944348216 /nfs/dbraw/zinc/34/82/16/944348216.db2.gz JQVPPFDVYWSCMW-UHFFFAOYSA-N 2 1 350.506 3.729 20 0 FHADMP Cc1cccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167975807 944365439 /nfs/dbraw/zinc/36/54/39/944365439.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1cccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167975807 944365444 /nfs/dbraw/zinc/36/54/44/944365444.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1cccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167975807 944365453 /nfs/dbraw/zinc/36/54/53/944365453.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1cccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167975807 944365463 /nfs/dbraw/zinc/36/54/63/944365463.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1cccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167975807 944365469 /nfs/dbraw/zinc/36/54/69/944365469.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP COc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837512 944369575 /nfs/dbraw/zinc/36/95/75/944369575.db2.gz OKJACYADQYGDJB-OAQYLSRUSA-N 2 1 369.509 3.806 20 0 FHADMP COc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837512 944369582 /nfs/dbraw/zinc/36/95/82/944369582.db2.gz OKJACYADQYGDJB-OAQYLSRUSA-N 2 1 369.509 3.806 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425954229 944377229 /nfs/dbraw/zinc/37/72/29/944377229.db2.gz MSMNTJRIIYHYAL-NRFANRHFSA-N 2 1 373.928 3.719 20 0 FHADMP Cn1cnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000664838203 944401761 /nfs/dbraw/zinc/40/17/61/944401761.db2.gz RNNAFOAXOXIHEU-OAQYLSRUSA-N 2 1 352.526 3.543 20 0 FHADMP Cn1nccc1CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838205 944402028 /nfs/dbraw/zinc/40/20/28/944402028.db2.gz RROYWSJVLAHVLR-QFIPXVFZSA-N 2 1 366.553 3.585 20 0 FHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000467365832 944405861 /nfs/dbraw/zinc/40/58/61/944405861.db2.gz SCYUTLGZPCQSCN-WOJBJXKFSA-N 2 1 357.542 3.651 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c2)cc1 ZINC000517567599 944407663 /nfs/dbraw/zinc/40/76/63/944407663.db2.gz NQYHBXGPZIRRGI-NRFANRHFSA-N 2 1 369.509 3.753 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+]Cc1csc2c1cccc2Br ZINC000516088474 944466167 /nfs/dbraw/zinc/46/61/67/944466167.db2.gz GVKADZMFDZPEDN-UHFFFAOYSA-N 2 1 350.285 3.959 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801263 944519765 /nfs/dbraw/zinc/51/97/65/944519765.db2.gz GWXCYLNVRHPTHW-PBHICJAKSA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801263 944519769 /nfs/dbraw/zinc/51/97/69/944519769.db2.gz GWXCYLNVRHPTHW-PBHICJAKSA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801263 944519773 /nfs/dbraw/zinc/51/97/73/944519773.db2.gz GWXCYLNVRHPTHW-PBHICJAKSA-N 2 1 360.420 3.626 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC000426356094 944544353 /nfs/dbraw/zinc/54/43/53/944544353.db2.gz HBHIYFATYDRWOK-YQVWRLOYSA-N 2 1 360.542 3.965 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000608061516 944559510 /nfs/dbraw/zinc/55/95/10/944559510.db2.gz XCDGQMRBMQUXQZ-LPHOPBHVSA-N 2 1 367.493 3.520 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000608061516 944559517 /nfs/dbraw/zinc/55/95/17/944559517.db2.gz XCDGQMRBMQUXQZ-LPHOPBHVSA-N 2 1 367.493 3.520 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419295 944602167 /nfs/dbraw/zinc/60/21/67/944602167.db2.gz BKJXDDKVBMYXPM-GHTZIAJQSA-N 2 1 356.510 3.617 20 0 FHADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419297 944602502 /nfs/dbraw/zinc/60/25/02/944602502.db2.gz BKJXDDKVBMYXPM-RXVVDRJESA-N 2 1 356.510 3.617 20 0 FHADMP CC[C@@H]1C[NH+](Cc2cccc(C[N@H+]3CCCO[C@H](CC)C3)c2)CCCO1 ZINC000439476616 944658138 /nfs/dbraw/zinc/65/81/38/944658138.db2.gz RSKWJMUFDOVAMI-FGZHOGPDSA-N 2 1 360.542 3.688 20 0 FHADMP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH+]3CCC(OC)CC3)CCCC1)C2 ZINC000426032179 944692274 /nfs/dbraw/zinc/69/22/74/944692274.db2.gz XCBWADDIYYGIGI-LJQANCHMSA-N 2 1 372.553 3.566 20 0 FHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000162739616 944702511 /nfs/dbraw/zinc/70/25/11/944702511.db2.gz XHCIIEHHVRPLKQ-MRXNPFEDSA-N 2 1 374.916 3.564 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000438560524 944770138 /nfs/dbraw/zinc/77/01/38/944770138.db2.gz GKHUALWUXCZCEB-QFIPXVFZSA-N 2 1 365.521 3.784 20 0 FHADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000505925387 944899635 /nfs/dbraw/zinc/89/96/35/944899635.db2.gz SEQMEZBPWNHIEF-PWRODBHTSA-N 2 1 363.590 3.610 20 0 FHADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000261999219 944939072 /nfs/dbraw/zinc/93/90/72/944939072.db2.gz OYDHMGCPAOZNIV-CQSZACIVSA-N 2 1 362.905 3.696 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000505937924 944943575 /nfs/dbraw/zinc/94/35/75/944943575.db2.gz ZWCTXEGBCULVGT-ONTIZHBOSA-N 2 1 371.569 3.792 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000505937924 944943579 /nfs/dbraw/zinc/94/35/79/944943579.db2.gz ZWCTXEGBCULVGT-ONTIZHBOSA-N 2 1 371.569 3.792 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000660699400 945404318 /nfs/dbraw/zinc/40/43/18/945404318.db2.gz WFVWCPRWRFZLEV-UHFFFAOYSA-N 2 1 358.551 3.988 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000519478685 945464591 /nfs/dbraw/zinc/46/45/91/945464591.db2.gz RSICTEBNBJYCQV-UHFFFAOYSA-N 2 1 355.461 3.887 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000519478685 945464596 /nfs/dbraw/zinc/46/45/96/945464596.db2.gz RSICTEBNBJYCQV-UHFFFAOYSA-N 2 1 355.461 3.887 20 0 FHADMP c1n[nH]nc1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764442 945473690 /nfs/dbraw/zinc/47/36/90/945473690.db2.gz NPXGYNCGGXKGMB-JOCHJYFZSA-N 2 1 367.541 3.504 20 0 FHADMP c1[nH]nnc1CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764442 945473692 /nfs/dbraw/zinc/47/36/92/945473692.db2.gz NPXGYNCGGXKGMB-JOCHJYFZSA-N 2 1 367.541 3.504 20 0 FHADMP c1[nH]nnc1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764442 945473695 /nfs/dbraw/zinc/47/36/95/945473695.db2.gz NPXGYNCGGXKGMB-JOCHJYFZSA-N 2 1 367.541 3.504 20 0 FHADMP Clc1cccnc1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167967482 945543618 /nfs/dbraw/zinc/54/36/18/945543618.db2.gz FHWLBFZMPPZDLG-YQQQUEKLSA-N 2 1 374.960 3.699 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCC(=O)N3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048649 945560465 /nfs/dbraw/zinc/56/04/65/945560465.db2.gz XGZMHNMETQLOOG-CEQLMSFQSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)CCO1 ZINC000651687944 945663772 /nfs/dbraw/zinc/66/37/72/945663772.db2.gz WBHFGTPYUGCVJW-SFHVURJKSA-N 2 1 350.506 3.686 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)CCO1 ZINC000651687944 945663776 /nfs/dbraw/zinc/66/37/76/945663776.db2.gz WBHFGTPYUGCVJW-SFHVURJKSA-N 2 1 350.506 3.686 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)CCO1 ZINC000651687943 945663902 /nfs/dbraw/zinc/66/39/02/945663902.db2.gz WBHFGTPYUGCVJW-GOSISDBHSA-N 2 1 350.506 3.686 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)CCO1 ZINC000651687943 945663907 /nfs/dbraw/zinc/66/39/07/945663907.db2.gz WBHFGTPYUGCVJW-GOSISDBHSA-N 2 1 350.506 3.686 20 0 FHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894454951 945684837 /nfs/dbraw/zinc/68/48/37/945684837.db2.gz CPHJRLXYVPMTLS-AWEZNQCLSA-N 2 1 353.532 3.915 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894454951 945684842 /nfs/dbraw/zinc/68/48/42/945684842.db2.gz CPHJRLXYVPMTLS-AWEZNQCLSA-N 2 1 353.532 3.915 20 0 FHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519911589 945879042 /nfs/dbraw/zinc/87/90/42/945879042.db2.gz OXFSDCVCDPCWQA-YADHBBJMSA-N 2 1 371.569 3.525 20 0 FHADMP Cc1nc(C)c(C)c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000301732106 945938484 /nfs/dbraw/zinc/93/84/84/945938484.db2.gz YJCRPSQOIXDELR-RTWAWAEBSA-N 2 1 350.510 3.893 20 0 FHADMP C[NH+](C)Cc1cnc(CNc2[nH+]ccn2Cc2ccccc2Cl)s1 ZINC000508464760 945978187 /nfs/dbraw/zinc/97/81/87/945978187.db2.gz FIZVVSRZFDMRHK-UHFFFAOYSA-N 2 1 361.902 3.715 20 0 FHADMP C[C@@H](CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056677 946020830 /nfs/dbraw/zinc/02/08/30/946020830.db2.gz LKISGFVMYJJRIA-PCCBWWKXSA-N 2 1 374.569 3.803 20 0 FHADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000045807157 946163350 /nfs/dbraw/zinc/16/33/50/946163350.db2.gz MUUROEIXSMMWEL-UHFFFAOYSA-N 2 1 357.542 3.830 20 0 FHADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708391 946288744 /nfs/dbraw/zinc/28/87/44/946288744.db2.gz CVWWTNVPLSCXHZ-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708391 946288751 /nfs/dbraw/zinc/28/87/51/946288751.db2.gz CVWWTNVPLSCXHZ-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3cccnc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056015 946320667 /nfs/dbraw/zinc/32/06/67/946320667.db2.gz ZWTQOSCBSVSWOA-QRICJDHISA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056015 946320677 /nfs/dbraw/zinc/32/06/77/946320677.db2.gz ZWTQOSCBSVSWOA-QRICJDHISA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056015 946320688 /nfs/dbraw/zinc/32/06/88/946320688.db2.gz ZWTQOSCBSVSWOA-QRICJDHISA-N 2 1 365.521 3.976 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000520251569 946321989 /nfs/dbraw/zinc/32/19/89/946321989.db2.gz GNHAGGDJOVRMIU-SFHVURJKSA-N 2 1 363.590 3.515 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441235576 946327543 /nfs/dbraw/zinc/32/75/43/946327543.db2.gz SOAWYLYSPJVMPI-DLBZAZTESA-N 2 1 363.933 3.939 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441235576 946327554 /nfs/dbraw/zinc/32/75/54/946327554.db2.gz SOAWYLYSPJVMPI-DLBZAZTESA-N 2 1 363.933 3.939 20 0 FHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341017 /nfs/dbraw/zinc/34/10/17/946341017.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341029 /nfs/dbraw/zinc/34/10/29/946341029.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341039 /nfs/dbraw/zinc/34/10/39/946341039.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341049 /nfs/dbraw/zinc/34/10/49/946341049.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341063 /nfs/dbraw/zinc/34/10/63/946341063.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341077 /nfs/dbraw/zinc/34/10/77/946341077.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341092 /nfs/dbraw/zinc/34/10/92/946341092.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 2 1 355.570 3.702 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652162685 946410820 /nfs/dbraw/zinc/41/08/20/946410820.db2.gz WPSBPZUWXKVFAP-QGZVFWFLSA-N 2 1 350.503 3.626 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475497124 946437576 /nfs/dbraw/zinc/43/75/76/946437576.db2.gz IRRUTZCMHMFRMM-HMFYCAOWSA-N 2 1 369.553 3.550 20 0 FHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(Br)cc1Cl ZINC000550322429 946449924 /nfs/dbraw/zinc/44/99/24/946449924.db2.gz BRHNGIAWJNXRIG-UHFFFAOYSA-N 2 1 368.706 3.896 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188183518 946452016 /nfs/dbraw/zinc/45/20/16/946452016.db2.gz SYNPCYRRSVDNBC-ZIAGYGMSSA-N 2 1 350.304 3.811 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000047978496 946474092 /nfs/dbraw/zinc/47/40/92/946474092.db2.gz ASYLSXYEARWJLJ-UHFFFAOYSA-N 2 1 350.457 3.985 20 0 FHADMP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000303174609 946512266 /nfs/dbraw/zinc/51/22/66/946512266.db2.gz JIKGZCVOBWIUEC-UHFFFAOYSA-N 2 1 357.542 3.730 20 0 FHADMP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000164509950 946595592 /nfs/dbraw/zinc/59/55/92/946595592.db2.gz CXCAVWOGXFOXPK-QGZVFWFLSA-N 2 1 352.482 3.979 20 0 FHADMP CCCC[N@H+](C)CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000112466192 946628326 /nfs/dbraw/zinc/62/83/26/946628326.db2.gz UCSOIWVQDHKLOL-UHFFFAOYSA-N 2 1 371.529 3.908 20 0 FHADMP CCCC[N@@H+](C)CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000112466192 946628338 /nfs/dbraw/zinc/62/83/38/946628338.db2.gz UCSOIWVQDHKLOL-UHFFFAOYSA-N 2 1 371.529 3.908 20 0 FHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058808 946629790 /nfs/dbraw/zinc/62/97/90/946629790.db2.gz CNTSRWUPKWDPAF-DPECMYTMSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058808 946629796 /nfs/dbraw/zinc/62/97/96/946629796.db2.gz CNTSRWUPKWDPAF-DPECMYTMSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058808 946629803 /nfs/dbraw/zinc/62/98/03/946629803.db2.gz CNTSRWUPKWDPAF-DPECMYTMSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058808 946629809 /nfs/dbraw/zinc/62/98/09/946629809.db2.gz CNTSRWUPKWDPAF-DPECMYTMSA-N 2 1 370.537 3.702 20 0 FHADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000192745287 946634290 /nfs/dbraw/zinc/63/42/90/946634290.db2.gz MIULSDVVGRMIFD-LQCXBHPOSA-N 2 1 354.469 3.644 20 0 FHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000475197203 946685855 /nfs/dbraw/zinc/68/58/55/946685855.db2.gz XMEWOVDZCSSNGU-ZACQAIPSSA-N 2 1 361.555 3.879 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000579268474 946821915 /nfs/dbraw/zinc/82/19/15/946821915.db2.gz CEABSYJTSNMTFU-HSZRJFAPSA-N 2 1 366.553 3.774 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000579268474 946821932 /nfs/dbraw/zinc/82/19/32/946821932.db2.gz CEABSYJTSNMTFU-HSZRJFAPSA-N 2 1 366.553 3.774 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000579268474 946821942 /nfs/dbraw/zinc/82/19/42/946821942.db2.gz CEABSYJTSNMTFU-HSZRJFAPSA-N 2 1 366.553 3.774 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000579268474 946821955 /nfs/dbraw/zinc/82/19/55/946821955.db2.gz CEABSYJTSNMTFU-HSZRJFAPSA-N 2 1 366.553 3.774 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475286903 946824870 /nfs/dbraw/zinc/82/48/70/946824870.db2.gz SJCRNEPYPZVKLM-GOSISDBHSA-N 2 1 364.518 3.817 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475286903 946824880 /nfs/dbraw/zinc/82/48/80/946824880.db2.gz SJCRNEPYPZVKLM-GOSISDBHSA-N 2 1 364.518 3.817 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(Cl)nc3)cc2)CC1 ZINC000179106737 946825758 /nfs/dbraw/zinc/82/57/58/946825758.db2.gz KXJYANVMOFRLOS-KRWDZBQOSA-N 2 1 372.944 3.723 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824619269 946868731 /nfs/dbraw/zinc/86/87/31/946868731.db2.gz WADSSIHVARDDAP-INIZCTEOSA-N 2 1 364.497 3.558 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000164602193 946869700 /nfs/dbraw/zinc/86/97/00/946869700.db2.gz BRMPRRKLDRRQIE-HNNXBMFYSA-N 2 1 355.486 3.606 20 0 FHADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652346801 946875105 /nfs/dbraw/zinc/87/51/05/946875105.db2.gz INISQZZFYLBRIU-DWLFOUALSA-N 2 1 374.569 3.971 20 0 FHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995092 946891968 /nfs/dbraw/zinc/89/19/68/946891968.db2.gz VQZPWHSDGAHIRX-VDXGAUASSA-N 2 1 367.581 3.988 20 0 FHADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995092 946891979 /nfs/dbraw/zinc/89/19/79/946891979.db2.gz VQZPWHSDGAHIRX-VDXGAUASSA-N 2 1 367.581 3.988 20 0 FHADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995092 946891989 /nfs/dbraw/zinc/89/19/89/946891989.db2.gz VQZPWHSDGAHIRX-VDXGAUASSA-N 2 1 367.581 3.988 20 0 FHADMP Fc1ccc(C[N@H+]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001167995189 946893173 /nfs/dbraw/zinc/89/31/73/946893173.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 1 371.544 3.739 20 0 FHADMP Fc1ccc(C[NH+]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995189 946893184 /nfs/dbraw/zinc/89/31/84/946893184.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 1 371.544 3.739 20 0 FHADMP Fc1ccc(C[NH+]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995189 946893198 /nfs/dbraw/zinc/89/31/98/946893198.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 1 371.544 3.739 20 0 FHADMP Fc1ccc(CN2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001167995189 946893216 /nfs/dbraw/zinc/89/32/16/946893216.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 1 371.544 3.739 20 0 FHADMP Fc1ccc(CN2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001167995189 946893230 /nfs/dbraw/zinc/89/32/30/946893230.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 1 371.544 3.739 20 0 FHADMP Fc1ccc(CN2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995189 946893242 /nfs/dbraw/zinc/89/32/42/946893242.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 1 371.544 3.739 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)C1 ZINC000652348593 946894039 /nfs/dbraw/zinc/89/40/39/946894039.db2.gz JIFXUOVZGFREPS-QZNHQXDQSA-N 2 1 352.522 3.991 20 0 FHADMP CC(C)c1nccn1Cc1cccc(NC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000102061754 946903258 /nfs/dbraw/zinc/90/32/58/946903258.db2.gz SKJHQBPEMSIVAB-UHFFFAOYSA-N 2 1 357.502 3.517 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000102061754 946903266 /nfs/dbraw/zinc/90/32/66/946903266.db2.gz SKJHQBPEMSIVAB-UHFFFAOYSA-N 2 1 357.502 3.517 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000102061754 946903274 /nfs/dbraw/zinc/90/32/74/946903274.db2.gz SKJHQBPEMSIVAB-UHFFFAOYSA-N 2 1 357.502 3.517 20 0 FHADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@H]1CC[NH3+] ZINC000652353502 946904122 /nfs/dbraw/zinc/90/41/22/946904122.db2.gz MBFOGNAOKHKEPJ-UTKZUKDTSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@H]1CC[NH3+] ZINC000652353502 946904127 /nfs/dbraw/zinc/90/41/27/946904127.db2.gz MBFOGNAOKHKEPJ-UTKZUKDTSA-N 2 1 351.494 3.741 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000652364475 946933354 /nfs/dbraw/zinc/93/33/54/946933354.db2.gz SKORLPCCFCBVAH-SWUCNREESA-N 2 1 366.505 3.732 20 0 FHADMP c1ccc(C[N@@H+]2CCC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)cc1 ZINC000444613466 947039267 /nfs/dbraw/zinc/03/92/67/947039267.db2.gz KGXAYBPNYNIEJJ-UHFFFAOYSA-N 3 1 355.570 3.851 20 0 FHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC000444613466 947039274 /nfs/dbraw/zinc/03/92/74/947039274.db2.gz KGXAYBPNYNIEJJ-UHFFFAOYSA-N 3 1 355.570 3.851 20 0 FHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC000444613466 947039282 /nfs/dbraw/zinc/03/92/82/947039282.db2.gz KGXAYBPNYNIEJJ-UHFFFAOYSA-N 2 1 355.570 3.851 20 0 FHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000192918785 947106140 /nfs/dbraw/zinc/10/61/40/947106140.db2.gz LPYODSNUQXVFNY-KNQAVFIVSA-N 2 1 350.506 3.664 20 0 FHADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C)n1 ZINC000301268361 947260240 /nfs/dbraw/zinc/26/02/40/947260240.db2.gz ITFBOIARUMZYHM-MRXNPFEDSA-N 2 1 350.388 3.799 20 0 FHADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C)[nH+]1 ZINC000301268361 947260264 /nfs/dbraw/zinc/26/02/64/947260264.db2.gz ITFBOIARUMZYHM-MRXNPFEDSA-N 2 1 350.388 3.799 20 0 FHADMP COC1CC[NH+](CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000125915206 947304296 /nfs/dbraw/zinc/30/42/96/947304296.db2.gz GACJZROZAZXAEP-UHFFFAOYSA-N 2 1 353.388 3.776 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250479990 947339964 /nfs/dbraw/zinc/33/99/64/947339964.db2.gz BSYOXSGSKJPGGN-KSSFIOAISA-N 2 1 351.332 3.626 20 0 FHADMP COCCC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000189004530 947579322 /nfs/dbraw/zinc/57/93/22/947579322.db2.gz CLYIGZJEYJHEEG-UHFFFAOYSA-N 2 1 360.542 3.595 20 0 FHADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523852315 947653446 /nfs/dbraw/zinc/65/34/46/947653446.db2.gz OUBNBEMPRUWEQY-ABSDTBQOSA-N 2 1 361.574 3.771 20 0 FHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254953 947674981 /nfs/dbraw/zinc/67/49/81/947674981.db2.gz CCOHTEBJHRKUMM-YLJYHZDGSA-N 2 1 366.505 3.876 20 0 FHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254945 947675660 /nfs/dbraw/zinc/67/56/60/947675660.db2.gz CCOHTEBJHRKUMM-FXAWDEMLSA-N 2 1 366.505 3.876 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264090 947682618 /nfs/dbraw/zinc/68/26/18/947682618.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 2 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264090 947682629 /nfs/dbraw/zinc/68/26/29/947682629.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 2 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264090 947682635 /nfs/dbraw/zinc/68/26/35/947682635.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 2 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264090 947682644 /nfs/dbraw/zinc/68/26/44/947682644.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 3 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264090 947682654 /nfs/dbraw/zinc/68/26/54/947682654.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 3 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264090 947682661 /nfs/dbraw/zinc/68/26/61/947682661.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 3 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264090 947682672 /nfs/dbraw/zinc/68/26/72/947682672.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 3 1 363.549 3.817 20 0 FHADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274560 947699929 /nfs/dbraw/zinc/69/99/29/947699929.db2.gz VXKWFYLFZUNILI-STQMWFEESA-N 2 1 372.738 3.709 20 0 FHADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274560 947699932 /nfs/dbraw/zinc/69/99/32/947699932.db2.gz VXKWFYLFZUNILI-STQMWFEESA-N 2 1 372.738 3.709 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286948 947710318 /nfs/dbraw/zinc/71/03/18/947710318.db2.gz URDNNWXVNCLWDK-QGPMSJSTSA-N 2 1 354.947 3.650 20 0 FHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294025 947716690 /nfs/dbraw/zinc/71/66/90/947716690.db2.gz AEVSJKUWFJASEU-IEBWSBKVSA-N 2 1 357.542 3.849 20 0 FHADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294409 947717746 /nfs/dbraw/zinc/71/77/46/947717746.db2.gz VVGPTWYKELYBHN-LJQANCHMSA-N 2 1 355.551 3.946 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1F ZINC000662297862 947719069 /nfs/dbraw/zinc/71/90/69/947719069.db2.gz SNIODUCQZDKQJJ-HNNXBMFYSA-N 2 1 367.896 3.519 20 0 FHADMP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298426 947720824 /nfs/dbraw/zinc/72/08/24/947720824.db2.gz WCANKADRPKGCQT-XJKSGUPXSA-N 2 1 374.554 3.786 20 0 FHADMP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298426 947720831 /nfs/dbraw/zinc/72/08/31/947720831.db2.gz WCANKADRPKGCQT-XJKSGUPXSA-N 2 1 374.554 3.786 20 0 FHADMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1Cl ZINC000662295774 947722093 /nfs/dbraw/zinc/72/20/93/947722093.db2.gz TVMSJXHEGCVNAW-CQSZACIVSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1Cl ZINC000662295774 947722099 /nfs/dbraw/zinc/72/20/99/947722099.db2.gz TVMSJXHEGCVNAW-CQSZACIVSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(c1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1)N1CCCCC1 ZINC000662296522 947722450 /nfs/dbraw/zinc/72/24/50/947722450.db2.gz LQWVIXCABXFEEH-QFIPXVFZSA-N 2 1 369.553 3.524 20 0 FHADMP Fc1ccc2c(c1)[C@H]([NH+]1CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC1)CC2 ZINC000662327133 947751248 /nfs/dbraw/zinc/75/12/48/947751248.db2.gz KDNXGFPFSSUEBK-JOCHJYFZSA-N 2 1 368.500 3.883 20 0 FHADMP c1sc(C2CC2)nc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327761 947758226 /nfs/dbraw/zinc/75/82/26/947758226.db2.gz UVUIMKHYLZWLCP-UHFFFAOYSA-N 2 1 371.554 3.590 20 0 FHADMP CSc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327283 947759402 /nfs/dbraw/zinc/75/94/02/947759402.db2.gz MDGHCSPLTBYTSK-UHFFFAOYSA-N 2 1 370.566 3.978 20 0 FHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327328 947759470 /nfs/dbraw/zinc/75/94/70/947759470.db2.gz NIZOOSIRJYYSCT-OAHLLOKOSA-N 2 1 356.489 3.956 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344078 947807337 /nfs/dbraw/zinc/80/73/37/947807337.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344078 947807350 /nfs/dbraw/zinc/80/73/50/947807350.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344078 947807361 /nfs/dbraw/zinc/80/73/61/947807361.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344078 947807370 /nfs/dbraw/zinc/80/73/70/947807370.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344078 947807382 /nfs/dbraw/zinc/80/73/82/947807382.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344078 947807392 /nfs/dbraw/zinc/80/73/92/947807392.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344078 947807404 /nfs/dbraw/zinc/80/74/04/947807404.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344078 947807412 /nfs/dbraw/zinc/80/74/12/947807412.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344078 947807422 /nfs/dbraw/zinc/80/74/22/947807422.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 3 1 355.570 3.751 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344923 947810764 /nfs/dbraw/zinc/81/07/64/947810764.db2.gz ZHLFTSYVJJLLJN-LJQANCHMSA-N 2 1 365.521 3.969 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344923 947810765 /nfs/dbraw/zinc/81/07/65/947810765.db2.gz ZHLFTSYVJJLLJN-LJQANCHMSA-N 2 1 365.521 3.969 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662590691 947917773 /nfs/dbraw/zinc/91/77/73/947917773.db2.gz SLIGYDKIKORAJY-QFIPXVFZSA-N 2 1 371.569 3.770 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000511976892 947933478 /nfs/dbraw/zinc/93/34/78/947933478.db2.gz JRRXHRZSCWQHHA-SFHVURJKSA-N 2 1 357.542 3.521 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466179 948051382 /nfs/dbraw/zinc/05/13/82/948051382.db2.gz OYZCCJSAMXNLKC-HIFRSBDPSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466179 948051385 /nfs/dbraw/zinc/05/13/85/948051385.db2.gz OYZCCJSAMXNLKC-HIFRSBDPSA-N 2 1 352.320 3.617 20 0 FHADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467343 948055661 /nfs/dbraw/zinc/05/56/61/948055661.db2.gz DYMNARWPHQKAQB-OXJNMPFZSA-N 2 1 357.498 3.942 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466998 948056991 /nfs/dbraw/zinc/05/69/91/948056991.db2.gz YNUKVLUBZUIUTE-MJGOQNOKSA-N 2 1 352.526 3.860 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466998 948057000 /nfs/dbraw/zinc/05/70/00/948057000.db2.gz YNUKVLUBZUIUTE-MJGOQNOKSA-N 2 1 352.526 3.860 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057813 /nfs/dbraw/zinc/05/78/13/948057813.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057820 /nfs/dbraw/zinc/05/78/20/948057820.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057829 /nfs/dbraw/zinc/05/78/29/948057829.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057838 /nfs/dbraw/zinc/05/78/38/948057838.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057846 /nfs/dbraw/zinc/05/78/46/948057846.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057857 /nfs/dbraw/zinc/05/78/57/948057857.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057865 /nfs/dbraw/zinc/05/78/65/948057865.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 3 1 367.581 3.894 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470144 948064142 /nfs/dbraw/zinc/06/41/42/948064142.db2.gz SLPOPXNNOJIETD-SJLPKXTDSA-N 2 1 370.541 3.743 20 0 FHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471776 948069101 /nfs/dbraw/zinc/06/91/01/948069101.db2.gz XXZJKDNCHZKKAI-WBVHZDCISA-N 2 1 373.932 3.693 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471776 948069109 /nfs/dbraw/zinc/06/91/09/948069109.db2.gz XXZJKDNCHZKKAI-WBVHZDCISA-N 2 1 373.932 3.693 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471776 948069116 /nfs/dbraw/zinc/06/91/16/948069116.db2.gz XXZJKDNCHZKKAI-WBVHZDCISA-N 2 1 373.932 3.693 20 0 FHADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190583398 948087664 /nfs/dbraw/zinc/08/76/64/948087664.db2.gz QVLSHKZQGBIFDY-OAHLLOKOSA-N 2 1 361.349 3.520 20 0 FHADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190583416 948087812 /nfs/dbraw/zinc/08/78/12/948087812.db2.gz QVLSHKZQGBIFDY-HNNXBMFYSA-N 2 1 361.349 3.520 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780547 948092636 /nfs/dbraw/zinc/09/26/36/948092636.db2.gz FTQDMDKWIXCOJY-DGCLKSJQSA-N 2 1 350.425 3.939 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823545 948100584 /nfs/dbraw/zinc/10/05/84/948100584.db2.gz DIEHFINRDBBMTD-NZQKXSOJSA-N 2 1 371.569 3.934 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167826989 948134864 /nfs/dbraw/zinc/13/48/64/948134864.db2.gz SSCRKAKYCQIUMS-QGZVFWFLSA-N 2 1 355.567 3.828 20 0 FHADMP CCc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)on1 ZINC001203217765 948169045 /nfs/dbraw/zinc/16/90/45/948169045.db2.gz JDJASBOOIQQGJV-UHFFFAOYSA-N 2 1 369.509 3.734 20 0 FHADMP C[NH+](C)CCCOc1ccc(CNc2[nH+]ccc3c(N)cccc32)cc1 ZINC000663538678 948182819 /nfs/dbraw/zinc/18/28/19/948182819.db2.gz JNFJLMOWTOOEID-UHFFFAOYSA-N 2 1 350.466 3.760 20 0 FHADMP COc1cccc(OC)c1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512017336 948199299 /nfs/dbraw/zinc/19/92/99/948199299.db2.gz VGGNLAJIIRMZRJ-QRWLVFNGSA-N 2 1 360.523 3.938 20 0 FHADMP COc1cccc(OC)c1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512017335 948199519 /nfs/dbraw/zinc/19/95/19/948199519.db2.gz VGGNLAJIIRMZRJ-MGPUTAFESA-N 2 1 360.523 3.938 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167833404 948223241 /nfs/dbraw/zinc/22/32/41/948223241.db2.gz AWRQXPLEOAFPAT-INDMIFKZSA-N 2 1 367.578 3.732 20 0 FHADMP COc1ccccc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432368255 948236467 /nfs/dbraw/zinc/23/64/67/948236467.db2.gz PCPSVMGGBCIMEG-LJQANCHMSA-N 2 1 368.521 3.953 20 0 FHADMP Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001143586304 948274958 /nfs/dbraw/zinc/27/49/58/948274958.db2.gz WESDQAQJEIKZIS-HXUWFJFHSA-N 2 1 372.484 3.983 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001167838090 948312797 /nfs/dbraw/zinc/31/27/97/948312797.db2.gz PSQQZPNQUOIXKP-MSOLQXFVSA-N 2 1 355.567 3.876 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003777 948314394 /nfs/dbraw/zinc/31/43/94/948314394.db2.gz QMCVJQIFRQZXFF-WRURNZQNSA-N 2 1 370.537 3.681 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003777 948314403 /nfs/dbraw/zinc/31/44/03/948314403.db2.gz QMCVJQIFRQZXFF-WRURNZQNSA-N 2 1 370.537 3.681 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003777 948314407 /nfs/dbraw/zinc/31/44/07/948314407.db2.gz QMCVJQIFRQZXFF-WRURNZQNSA-N 2 1 370.537 3.681 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407191 948346260 /nfs/dbraw/zinc/34/62/60/948346260.db2.gz LBGGBUSQOSFLRE-LSDHHAIUSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407191 948346269 /nfs/dbraw/zinc/34/62/69/948346269.db2.gz LBGGBUSQOSFLRE-LSDHHAIUSA-N 2 1 360.420 3.737 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167841118 948354181 /nfs/dbraw/zinc/35/41/81/948354181.db2.gz KIWCVMVEJTZWSC-INIZCTEOSA-N 2 1 353.551 3.581 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367187 948386306 /nfs/dbraw/zinc/38/63/06/948386306.db2.gz WLXXRQMITUKXHR-SJORKVTESA-N 2 1 358.530 3.695 20 0 FHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432422942 948389033 /nfs/dbraw/zinc/38/90/33/948389033.db2.gz HLELQZDDUIICTB-IRXDYDNUSA-N 2 1 370.484 3.700 20 0 FHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432422942 948389037 /nfs/dbraw/zinc/38/90/37/948389037.db2.gz HLELQZDDUIICTB-IRXDYDNUSA-N 2 1 370.484 3.700 20 0 FHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422941 948389155 /nfs/dbraw/zinc/38/91/55/948389155.db2.gz HLELQZDDUIICTB-IAGOWNOFSA-N 2 1 370.484 3.700 20 0 FHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422941 948389159 /nfs/dbraw/zinc/38/91/59/948389159.db2.gz HLELQZDDUIICTB-IAGOWNOFSA-N 2 1 370.484 3.700 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426721 948390576 /nfs/dbraw/zinc/39/05/76/948390576.db2.gz UPMPUMUQFAFZPO-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426721 948390582 /nfs/dbraw/zinc/39/05/82/948390582.db2.gz UPMPUMUQFAFZPO-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842953 948398467 /nfs/dbraw/zinc/39/84/67/948398467.db2.gz ZYLMYIQSVYXGNB-MSOLQXFVSA-N 2 1 355.567 3.686 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CCO1 ZINC000512132982 948507431 /nfs/dbraw/zinc/50/74/31/948507431.db2.gz WQHOUFNZDDESKS-QGZVFWFLSA-N 2 1 350.462 3.943 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CCO1 ZINC000512132982 948507439 /nfs/dbraw/zinc/50/74/39/948507439.db2.gz WQHOUFNZDDESKS-QGZVFWFLSA-N 2 1 350.462 3.943 20 0 FHADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000512133808 948518116 /nfs/dbraw/zinc/51/81/16/948518116.db2.gz XABNCXXWGKPTAP-UHFFFAOYSA-N 2 1 363.299 3.809 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507797164 948580486 /nfs/dbraw/zinc/58/04/86/948580486.db2.gz RBSOKMFPNOLAPK-OPYAIIAOSA-N 2 1 372.532 3.996 20 0 FHADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000544710080 948701486 /nfs/dbraw/zinc/70/14/86/948701486.db2.gz RUCDOYZXDFWCDY-LBPRGKRZSA-N 2 1 366.278 3.770 20 0 FHADMP c1coc(C2=CCC[NH+](CCOCC[N@H+]3CCC=C(c4ccco4)C3)C2)c1 ZINC000511118908 370687536 /nfs/dbraw/zinc/68/75/36/370687536.db2.gz BWXAVAJQJCLEIR-UHFFFAOYSA-N 2 1 368.477 3.768 20 0 FHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000188584997 567972396 /nfs/dbraw/zinc/97/23/96/567972396.db2.gz IKHDOFVKPMNFBJ-LJQANCHMSA-N 2 1 374.573 3.544 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602672363 568008266 /nfs/dbraw/zinc/00/82/66/568008266.db2.gz XJKSICZFRAZLHO-SNOBZRMMSA-N 2 1 368.546 3.882 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602672363 568008268 /nfs/dbraw/zinc/00/82/68/568008268.db2.gz XJKSICZFRAZLHO-SNOBZRMMSA-N 2 1 368.546 3.882 20 0 FHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843043 568186176 /nfs/dbraw/zinc/18/61/76/568186176.db2.gz HMFLPKLLFJVWGQ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843043 568186177 /nfs/dbraw/zinc/18/61/77/568186177.db2.gz HMFLPKLLFJVWGQ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843043 568186178 /nfs/dbraw/zinc/18/61/78/568186178.db2.gz HMFLPKLLFJVWGQ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843043 568186179 /nfs/dbraw/zinc/18/61/79/568186179.db2.gz HMFLPKLLFJVWGQ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000563119971 568224719 /nfs/dbraw/zinc/22/47/19/568224719.db2.gz ODALRIHTDMDQAW-LJQANCHMSA-N 2 1 368.525 3.912 20 0 FHADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000563119971 568224720 /nfs/dbraw/zinc/22/47/20/568224720.db2.gz ODALRIHTDMDQAW-LJQANCHMSA-N 2 1 368.525 3.912 20 0 FHADMP C[C@H](CC[N@H+]1CCC[C@@]2(CCCOC2)C1)[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334233 /nfs/dbraw/zinc/33/42/33/568334233.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@@]2(CCCOC2)C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334234 /nfs/dbraw/zinc/33/42/34/568334234.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@@]2(CCCOC2)C1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334235 /nfs/dbraw/zinc/33/42/35/568334235.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 2 1 364.574 3.550 20 0 FHADMP C=Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000365284692 568410229 /nfs/dbraw/zinc/41/02/29/568410229.db2.gz HOLPYJFYYZKARY-UHFFFAOYSA-N 2 1 369.553 3.598 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822476939 607014975 /nfs/dbraw/zinc/01/49/75/607014975.db2.gz AMGPBMBNOYZBCG-LSDHHAIUSA-N 2 1 373.464 3.773 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822477086 607087246 /nfs/dbraw/zinc/08/72/46/607087246.db2.gz FXEGQNNWGPZXSM-LSDHHAIUSA-N 2 1 373.464 3.773 20 0 FHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813055 720185180 /nfs/dbraw/zinc/18/51/80/720185180.db2.gz CDNICPMZQBLMLP-OFNKIYASSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813055 720185187 /nfs/dbraw/zinc/18/51/87/720185187.db2.gz CDNICPMZQBLMLP-OFNKIYASSA-N 2 1 365.521 3.728 20 0 FHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)c1ccnc(Cl)c1 ZINC001164732609 720547212 /nfs/dbraw/zinc/54/72/12/720547212.db2.gz ABEWTTAHORGUTG-INIZCTEOSA-N 2 1 365.949 3.982 20 0 FHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCCC3)[C@H]2C ZINC001164863399 720950956 /nfs/dbraw/zinc/95/09/56/720950956.db2.gz ZSIZAFDSTJLTOT-INIZCTEOSA-N 2 1 353.514 3.578 20 0 FHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCCC3)[C@H]2C ZINC001164863399 720950968 /nfs/dbraw/zinc/95/09/68/720950968.db2.gz ZSIZAFDSTJLTOT-INIZCTEOSA-N 2 1 353.514 3.578 20 0 FHADMP Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165026840 721808891 /nfs/dbraw/zinc/80/88/91/721808891.db2.gz RQZOYQCMMCIORR-CEWLAPEOSA-N 2 1 350.510 3.830 20 0 FHADMP CN(C)c1cc[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164992743 722198921 /nfs/dbraw/zinc/19/89/21/722198921.db2.gz AVRSPTSNJHVYKQ-OAQYLSRUSA-N 2 1 354.473 3.532 20 0 FHADMP C[NH+](C)CC1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCCCC1 ZINC000427085124 945068041 /nfs/dbraw/zinc/06/80/41/945068041.db2.gz POFRVLARXORYEM-UHFFFAOYSA-N 2 1 357.542 3.774 20 0 FHADMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807949 937096623 /nfs/dbraw/zinc/09/66/23/937096623.db2.gz BGAWGFPQVVDSMP-INIZCTEOSA-N 2 1 352.482 3.607 20 0 FHADMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807949 937096626 /nfs/dbraw/zinc/09/66/26/937096626.db2.gz BGAWGFPQVVDSMP-INIZCTEOSA-N 2 1 352.482 3.607 20 0 FHADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807949 937096629 /nfs/dbraw/zinc/09/66/29/937096629.db2.gz BGAWGFPQVVDSMP-INIZCTEOSA-N 2 1 352.482 3.607 20 0 FHADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807949 937096632 /nfs/dbraw/zinc/09/66/32/937096632.db2.gz BGAWGFPQVVDSMP-INIZCTEOSA-N 2 1 352.482 3.607 20 0 FHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583111565 937128733 /nfs/dbraw/zinc/12/87/33/937128733.db2.gz ZCYCGOJVGYAXDH-QHCPKHFHSA-N 2 1 366.553 3.643 20 0 FHADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583111565 937128734 /nfs/dbraw/zinc/12/87/34/937128734.db2.gz ZCYCGOJVGYAXDH-QHCPKHFHSA-N 2 1 366.553 3.643 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583111565 937128735 /nfs/dbraw/zinc/12/87/35/937128735.db2.gz ZCYCGOJVGYAXDH-QHCPKHFHSA-N 2 1 366.553 3.643 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583111565 937128736 /nfs/dbraw/zinc/12/87/36/937128736.db2.gz ZCYCGOJVGYAXDH-QHCPKHFHSA-N 2 1 366.553 3.643 20 0 FHADMP [NH3+]C1(CN[C@@H]2CCc3c2cc(F)cc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000643544608 927380547 /nfs/dbraw/zinc/38/05/47/927380547.db2.gz GKGQLMACHWIQKW-OAQYLSRUSA-N 2 1 371.475 3.535 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000579811380 927757362 /nfs/dbraw/zinc/75/73/62/927757362.db2.gz BRCKACKGYWGEOK-HXUWFJFHSA-N 2 1 372.557 3.961 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274740654 927764977 /nfs/dbraw/zinc/76/49/77/927764977.db2.gz ADYHWSLUQWJJCK-BYIDQZDESA-N 2 1 362.583 3.566 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274740654 927764984 /nfs/dbraw/zinc/76/49/84/927764984.db2.gz ADYHWSLUQWJJCK-BYIDQZDESA-N 2 1 362.583 3.566 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1F ZINC000150804488 937209259 /nfs/dbraw/zinc/20/92/59/937209259.db2.gz JYAOAMSCRVJPRC-KRWDZBQOSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1F ZINC000150804488 937209260 /nfs/dbraw/zinc/20/92/60/937209260.db2.gz JYAOAMSCRVJPRC-KRWDZBQOSA-N 2 1 372.488 3.534 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274761667 928105295 /nfs/dbraw/zinc/10/52/95/928105295.db2.gz KCPOBVCXNPGGJQ-HNAYVOBHSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274761667 928105301 /nfs/dbraw/zinc/10/53/01/928105301.db2.gz KCPOBVCXNPGGJQ-HNAYVOBHSA-N 2 1 359.901 3.543 20 0 FHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150818274 937226557 /nfs/dbraw/zinc/22/65/57/937226557.db2.gz VAQNUGMDLMJXKU-GOSISDBHSA-N 2 1 351.494 3.586 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154460077 928850937 /nfs/dbraw/zinc/85/09/37/928850937.db2.gz LNHOJWQHWFKTKG-INIZCTEOSA-N 2 1 373.463 3.654 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154484606 928861145 /nfs/dbraw/zinc/86/11/45/928861145.db2.gz URBHEDGPMYTKCO-SFHVURJKSA-N 2 1 367.990 3.884 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154549643 928938199 /nfs/dbraw/zinc/93/81/99/928938199.db2.gz NIVRDZQNYUCJEJ-HXUWFJFHSA-N 2 1 366.553 3.817 20 0 FHADMP CN(C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109947 929319574 /nfs/dbraw/zinc/31/95/74/929319574.db2.gz FCSHWDRZCAECHI-RXVVDRJESA-N 2 1 358.913 3.827 20 0 FHADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109947 929319587 /nfs/dbraw/zinc/31/95/87/929319587.db2.gz FCSHWDRZCAECHI-RXVVDRJESA-N 2 1 358.913 3.827 20 0 FHADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109947 929319593 /nfs/dbraw/zinc/31/95/93/929319593.db2.gz FCSHWDRZCAECHI-RXVVDRJESA-N 2 1 358.913 3.827 20 0 FHADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109947 929319601 /nfs/dbraw/zinc/31/96/01/929319601.db2.gz FCSHWDRZCAECHI-RXVVDRJESA-N 2 1 358.913 3.827 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CC3 ZINC000180701156 929622133 /nfs/dbraw/zinc/62/21/33/929622133.db2.gz XVSYMFSWGJDWCQ-LJQANCHMSA-N 2 1 369.553 3.813 20 0 FHADMP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167310523 929632242 /nfs/dbraw/zinc/63/22/42/929632242.db2.gz VLPDZKTVSZUCEE-QFIPXVFZSA-N 2 1 366.505 3.865 20 0 FHADMP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167310523 929632248 /nfs/dbraw/zinc/63/22/48/929632248.db2.gz VLPDZKTVSZUCEE-QFIPXVFZSA-N 2 1 366.505 3.865 20 0 FHADMP COc1ccccc1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683689679 929802411 /nfs/dbraw/zinc/80/24/11/929802411.db2.gz HSRCIIMRUOAUIN-MZADTFQBSA-N 2 1 366.505 3.859 20 0 FHADMP CC(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691285 929807895 /nfs/dbraw/zinc/80/78/95/929807895.db2.gz AVVHAMQWQTYUCV-LRSLUSHPSA-N 2 1 366.553 3.945 20 0 FHADMP FC(F)(F)C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683721340 929918772 /nfs/dbraw/zinc/91/87/72/929918772.db2.gz SRPOMNXOVCYWDQ-QGZVFWFLSA-N 2 1 356.432 3.936 20 0 FHADMP CN(c1ccccc1CNc1[nH]c2ccc(F)cc2[nH+]1)C1CC[NH+](C)CC1 ZINC000683750828 930023196 /nfs/dbraw/zinc/02/31/96/930023196.db2.gz KBMFLRHDKKSILD-UHFFFAOYSA-N 2 1 367.472 3.845 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000275731550 930061599 /nfs/dbraw/zinc/06/15/99/930061599.db2.gz XIMKKTKTNQOZGH-OAQYLSRUSA-N 2 1 369.484 3.533 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000275731550 930061602 /nfs/dbraw/zinc/06/16/02/930061602.db2.gz XIMKKTKTNQOZGH-OAQYLSRUSA-N 2 1 369.484 3.533 20 0 FHADMP C[NH+](C)CCCOc1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548060156 930237550 /nfs/dbraw/zinc/23/75/50/930237550.db2.gz NRACFOIXWJYRTO-UHFFFAOYSA-N 2 1 361.530 3.610 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064611 930267836 /nfs/dbraw/zinc/26/78/36/930267836.db2.gz KMNLTUZGOALLFX-KNQAVFIVSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064611 930267842 /nfs/dbraw/zinc/26/78/42/930267842.db2.gz KMNLTUZGOALLFX-KNQAVFIVSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064611 930267846 /nfs/dbraw/zinc/26/78/46/930267846.db2.gz KMNLTUZGOALLFX-KNQAVFIVSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(-c2ccccc2)c1 ZINC000580314140 930483480 /nfs/dbraw/zinc/48/34/80/930483480.db2.gz AWNIVRLDZAMLAV-INIZCTEOSA-N 2 1 361.493 3.790 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379649129 930497276 /nfs/dbraw/zinc/49/72/76/930497276.db2.gz NZMFEPOSQHINBO-WYNBGMTASA-N 2 1 358.526 3.751 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379649129 930497277 /nfs/dbraw/zinc/49/72/77/930497277.db2.gz NZMFEPOSQHINBO-WYNBGMTASA-N 2 1 358.526 3.751 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3ccccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000683927894 930639300 /nfs/dbraw/zinc/63/93/00/930639300.db2.gz QAJLLTCUZGHXNF-QHCPKHFHSA-N 2 1 362.521 3.636 20 0 FHADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000312838265 930641495 /nfs/dbraw/zinc/64/14/95/930641495.db2.gz DZSSXLSVQAQJJW-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000312838265 930641496 /nfs/dbraw/zinc/64/14/96/930641496.db2.gz DZSSXLSVQAQJJW-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000312838265 930641499 /nfs/dbraw/zinc/64/14/99/930641499.db2.gz DZSSXLSVQAQJJW-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000312838265 930641500 /nfs/dbraw/zinc/64/15/00/930641500.db2.gz DZSSXLSVQAQJJW-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C[C@H]1c1ccccc1 ZINC000580414394 930653239 /nfs/dbraw/zinc/65/32/39/930653239.db2.gz SFDQDNPKRIFZJB-UXHICEINSA-N 2 1 352.478 3.773 20 0 FHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C[C@H]1c1ccccc1 ZINC000580414394 930653244 /nfs/dbraw/zinc/65/32/44/930653244.db2.gz SFDQDNPKRIFZJB-UXHICEINSA-N 2 1 352.478 3.773 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756949 930741963 /nfs/dbraw/zinc/74/19/63/930741963.db2.gz CYSADOCVQUWWKR-CZUORRHYSA-N 2 1 355.320 3.620 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756949 930741972 /nfs/dbraw/zinc/74/19/72/930741972.db2.gz CYSADOCVQUWWKR-CZUORRHYSA-N 2 1 355.320 3.620 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756949 930741976 /nfs/dbraw/zinc/74/19/76/930741976.db2.gz CYSADOCVQUWWKR-CZUORRHYSA-N 2 1 355.320 3.620 20 0 FHADMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807709 930752304 /nfs/dbraw/zinc/75/23/04/930752304.db2.gz BGAWGFPQVVDSMP-MRXNPFEDSA-N 2 1 352.482 3.607 20 0 FHADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807709 930752309 /nfs/dbraw/zinc/75/23/09/930752309.db2.gz BGAWGFPQVVDSMP-MRXNPFEDSA-N 2 1 352.482 3.607 20 0 FHADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807709 930752317 /nfs/dbraw/zinc/75/23/17/930752317.db2.gz BGAWGFPQVVDSMP-MRXNPFEDSA-N 2 1 352.482 3.607 20 0 FHADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000122807709 930752327 /nfs/dbraw/zinc/75/23/27/930752327.db2.gz BGAWGFPQVVDSMP-MRXNPFEDSA-N 2 1 352.482 3.607 20 0 FHADMP Cc1ccc(-c2ncc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)s2)cc1C ZINC000656264823 930956283 /nfs/dbraw/zinc/95/62/83/930956283.db2.gz UGJGZHVXQLMNIQ-UHFFFAOYSA-N 2 1 371.550 3.724 20 0 FHADMP Cc1ccc(-c2ncc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)s2)cc1C ZINC000656264823 930956288 /nfs/dbraw/zinc/95/62/88/930956288.db2.gz UGJGZHVXQLMNIQ-UHFFFAOYSA-N 2 1 371.550 3.724 20 0 FHADMP O=C(CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000580735022 931078453 /nfs/dbraw/zinc/07/84/53/931078453.db2.gz RKYIUIGDJBSNKV-UHFFFAOYSA-N 2 1 371.912 3.707 20 0 FHADMP O=C(CC[NH2+]CCC[N@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000580735022 931078458 /nfs/dbraw/zinc/07/84/58/931078458.db2.gz RKYIUIGDJBSNKV-UHFFFAOYSA-N 2 1 371.912 3.707 20 0 FHADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773824 931134623 /nfs/dbraw/zinc/13/46/23/931134623.db2.gz UFGUVNFSNSIGIW-JOCHJYFZSA-N 2 1 355.570 3.895 20 0 FHADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773824 931134626 /nfs/dbraw/zinc/13/46/26/931134626.db2.gz UFGUVNFSNSIGIW-JOCHJYFZSA-N 2 1 355.570 3.895 20 0 FHADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000088163817 931205222 /nfs/dbraw/zinc/20/52/22/931205222.db2.gz CBMNNWZNXVMSPR-GOOCMWNKSA-N 2 1 353.304 3.563 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2)cc1OC ZINC000580952793 931399430 /nfs/dbraw/zinc/39/94/30/931399430.db2.gz VDJLIZNSJSKXAX-KDURUIRLSA-N 2 1 366.505 3.802 20 0 FHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000581103154 931569930 /nfs/dbraw/zinc/56/99/30/931569930.db2.gz NHJHTFAFMSGWPU-KCLUMXDGSA-N 2 1 364.574 3.569 20 0 FHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000581161089 931625553 /nfs/dbraw/zinc/62/55/53/931625553.db2.gz ZJOKLDVMGDMFAR-UHFFFAOYSA-N 2 1 363.221 3.819 20 0 FHADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000558256125 931724224 /nfs/dbraw/zinc/72/42/24/931724224.db2.gz NMDADVFUQIKBAI-YHYVQYDKSA-N 2 1 355.501 3.681 20 0 FHADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000558256125 931724237 /nfs/dbraw/zinc/72/42/37/931724237.db2.gz NMDADVFUQIKBAI-YHYVQYDKSA-N 2 1 355.501 3.681 20 0 FHADMP COCC[C@H](Cc1ccco1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157747 931748721 /nfs/dbraw/zinc/74/87/21/931748721.db2.gz SPHIIXRZLSAPHP-HLAWJBBLSA-N 2 1 356.510 3.727 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)o2)cc1 ZINC000581277812 931776963 /nfs/dbraw/zinc/77/69/63/931776963.db2.gz JHXBYWBNBJUHHW-INIZCTEOSA-N 2 1 356.466 3.553 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)o2)cc1 ZINC000581277812 931776969 /nfs/dbraw/zinc/77/69/69/931776969.db2.gz JHXBYWBNBJUHHW-INIZCTEOSA-N 2 1 356.466 3.553 20 0 FHADMP [NH3+]Cc1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)cc1 ZINC000647159095 932015358 /nfs/dbraw/zinc/01/53/58/932015358.db2.gz WLBMSSFZMZNEAX-NFBKMPQASA-N 2 1 374.488 3.749 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC2(CC1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000581416545 932015525 /nfs/dbraw/zinc/01/55/25/932015525.db2.gz LEJZTZWKHQRREZ-UHFFFAOYSA-N 2 1 374.492 3.714 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000564452586 932249544 /nfs/dbraw/zinc/24/95/44/932249544.db2.gz GWXFVBFPZHWSNY-QXAKKESOSA-N 2 1 372.534 3.895 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000581596081 932291929 /nfs/dbraw/zinc/29/19/29/932291929.db2.gz RYCGATVQKOQZGU-SIKLNZKXSA-N 2 1 371.569 3.586 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781930 932410982 /nfs/dbraw/zinc/41/09/82/932410982.db2.gz AAMUIDRLGZJHLC-OAQYLSRUSA-N 2 1 365.521 3.872 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000656792322 932425255 /nfs/dbraw/zinc/42/52/55/932425255.db2.gz KAYYRQKCIRFZNQ-JOCHJYFZSA-N 2 1 367.537 3.918 20 0 FHADMP FC(F)(F)COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000155197112 932573325 /nfs/dbraw/zinc/57/33/25/932573325.db2.gz ZTYWWLYLKCNFID-UHFFFAOYSA-N 2 1 371.447 3.909 20 0 FHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](C)C(=O)OC)C2 ZINC001279517698 932621941 /nfs/dbraw/zinc/62/19/41/932621941.db2.gz OJAIHBIXCWXABO-DYXWJJEUSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](C)C(=O)OC)C2 ZINC001279517698 932621943 /nfs/dbraw/zinc/62/19/43/932621943.db2.gz OJAIHBIXCWXABO-DYXWJJEUSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](C)C(=O)OC)C2 ZINC001279517698 932621948 /nfs/dbraw/zinc/62/19/48/932621948.db2.gz OJAIHBIXCWXABO-DYXWJJEUSA-N 2 1 352.563 3.800 20 0 FHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160491 932991785 /nfs/dbraw/zinc/99/17/85/932991785.db2.gz NZQVHROEEJSNFQ-SJLPKXTDSA-N 2 1 369.912 3.637 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160491 932991787 /nfs/dbraw/zinc/99/17/87/932991787.db2.gz NZQVHROEEJSNFQ-SJLPKXTDSA-N 2 1 369.912 3.637 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000157761463 933028914 /nfs/dbraw/zinc/02/89/14/933028914.db2.gz QBNBQYYRKPDULU-GOTSBHOMSA-N 2 1 368.496 3.952 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000430763254 933217529 /nfs/dbraw/zinc/21/75/29/933217529.db2.gz NMSUGWRFXIXNSZ-LAUBAEHRSA-N 2 1 351.494 3.742 20 0 FHADMP C[NH+](CCC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)C1CCCCC1 ZINC000548391912 933312914 /nfs/dbraw/zinc/31/29/14/933312914.db2.gz JOAHMGXYXXBAKD-UHFFFAOYSA-N 2 1 357.542 3.916 20 0 FHADMP C[NH+](CCc1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1)C1CC1 ZINC000548391912 933312922 /nfs/dbraw/zinc/31/29/22/933312922.db2.gz JOAHMGXYXXBAKD-UHFFFAOYSA-N 2 1 357.542 3.916 20 0 FHADMP C[NH+](CCc1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1)C1CC1 ZINC000548391912 933312940 /nfs/dbraw/zinc/31/29/40/933312940.db2.gz JOAHMGXYXXBAKD-UHFFFAOYSA-N 2 1 357.542 3.916 20 0 FHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000430914036 933400314 /nfs/dbraw/zinc/40/03/14/933400314.db2.gz HMDGBHRONICEJT-HSZRJFAPSA-N 2 1 373.560 3.941 20 0 FHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000430914036 933400321 /nfs/dbraw/zinc/40/03/21/933400321.db2.gz HMDGBHRONICEJT-HSZRJFAPSA-N 3 1 373.560 3.941 20 0 FHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000430914036 933400323 /nfs/dbraw/zinc/40/03/23/933400323.db2.gz HMDGBHRONICEJT-HSZRJFAPSA-N 3 1 373.560 3.941 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000510696219 933435557 /nfs/dbraw/zinc/43/55/57/933435557.db2.gz QQXANDJDSHVCAF-VGOFRKELSA-N 2 1 374.475 3.513 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000510696219 933435567 /nfs/dbraw/zinc/43/55/67/933435567.db2.gz QQXANDJDSHVCAF-VGOFRKELSA-N 2 1 374.475 3.513 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430963523 933510248 /nfs/dbraw/zinc/51/02/48/933510248.db2.gz AAKBMXWHLUUSCY-LNLFQRSKSA-N 2 1 351.494 3.740 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430963523 933510249 /nfs/dbraw/zinc/51/02/49/933510249.db2.gz AAKBMXWHLUUSCY-LNLFQRSKSA-N 2 1 351.494 3.740 20 0 FHADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cs2)o1 ZINC000410075914 933633080 /nfs/dbraw/zinc/63/30/80/933633080.db2.gz VFUIYEHJYUPHCP-AEFFLSMTSA-N 2 1 353.491 3.886 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cs2)o1 ZINC000410075914 933633098 /nfs/dbraw/zinc/63/30/98/933633098.db2.gz VFUIYEHJYUPHCP-AEFFLSMTSA-N 2 1 353.491 3.886 20 0 FHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)CC2 ZINC000684552174 933820427 /nfs/dbraw/zinc/82/04/27/933820427.db2.gz NQINOAUIWAAZCR-FQEVSTJZSA-N 2 1 358.526 3.935 20 0 FHADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000131452262 933863417 /nfs/dbraw/zinc/86/34/17/933863417.db2.gz DAMXHVBXOMJOLS-JOCHJYFZSA-N 2 1 356.485 3.810 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000510868279 933902953 /nfs/dbraw/zinc/90/29/53/933902953.db2.gz KPNZMXORPLEFAN-OALUTQOASA-N 2 1 371.569 3.769 20 0 FHADMP C[N@H+](Cc1sccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000891933101 934086097 /nfs/dbraw/zinc/08/60/97/934086097.db2.gz AWIJSYNMYSOJRH-UHFFFAOYSA-N 2 1 353.532 3.869 20 0 FHADMP CC(C)c1ncc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587052 934100110 /nfs/dbraw/zinc/10/01/10/934100110.db2.gz VBMUVPWYXFKNDR-IYBDPMFKSA-N 2 1 351.560 3.588 20 0 FHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682607 934272712 /nfs/dbraw/zinc/27/27/12/934272712.db2.gz ZCNVYQWRIQKXPH-GOSISDBHSA-N 2 1 358.526 3.705 20 0 FHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535682607 934272721 /nfs/dbraw/zinc/27/27/21/934272721.db2.gz ZCNVYQWRIQKXPH-GOSISDBHSA-N 2 1 358.526 3.705 20 0 FHADMP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535682606 934273257 /nfs/dbraw/zinc/27/32/57/934273257.db2.gz ZCFNVIAGCDOYSD-HXUWFJFHSA-N 2 1 371.569 3.525 20 0 FHADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1OCC[NH+](C)C ZINC000458193491 934365051 /nfs/dbraw/zinc/36/50/51/934365051.db2.gz IVMSKPTYPVAFSE-SFHVURJKSA-N 2 1 373.541 3.529 20 0 FHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535810061 934402168 /nfs/dbraw/zinc/40/21/68/934402168.db2.gz ZAEHVQRAYHNINH-DYESRHJHSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535810061 934402171 /nfs/dbraw/zinc/40/21/71/934402171.db2.gz ZAEHVQRAYHNINH-DYESRHJHSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535810061 934402174 /nfs/dbraw/zinc/40/21/74/934402174.db2.gz ZAEHVQRAYHNINH-DYESRHJHSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535810061 934402178 /nfs/dbraw/zinc/40/21/78/934402178.db2.gz ZAEHVQRAYHNINH-DYESRHJHSA-N 2 1 351.494 3.692 20 0 FHADMP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510987586 934462444 /nfs/dbraw/zinc/46/24/44/934462444.db2.gz SRDNWYMFEOAIJH-BWAGFHJFSA-N 2 1 350.506 3.880 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510987021 934467515 /nfs/dbraw/zinc/46/75/15/934467515.db2.gz QPLKEJILZIRXNN-PZJWPPBQSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510987021 934467519 /nfs/dbraw/zinc/46/75/19/934467519.db2.gz QPLKEJILZIRXNN-PZJWPPBQSA-N 2 1 352.526 3.688 20 0 FHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825759 934500187 /nfs/dbraw/zinc/50/01/87/934500187.db2.gz MLSILPILMCSJDI-RCBQFDQVSA-N 2 1 372.294 3.815 20 0 FHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825759 934500194 /nfs/dbraw/zinc/50/01/94/934500194.db2.gz MLSILPILMCSJDI-RCBQFDQVSA-N 2 1 372.294 3.815 20 0 FHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684611209 934505649 /nfs/dbraw/zinc/50/56/49/934505649.db2.gz CEKPVRJGEHPUTF-QAPCUYQASA-N 2 1 370.459 3.869 20 0 FHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000548515785 934771560 /nfs/dbraw/zinc/77/15/60/934771560.db2.gz MVBJRTUNCVFCPL-FQEVSTJZSA-N 2 1 372.557 3.517 20 0 FHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000548515785 934771563 /nfs/dbraw/zinc/77/15/63/934771563.db2.gz MVBJRTUNCVFCPL-FQEVSTJZSA-N 2 1 372.557 3.517 20 0 FHADMP CCn1nc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c2ccccc21 ZINC000472036461 934864779 /nfs/dbraw/zinc/86/47/79/934864779.db2.gz DXXJPUDYLHBPLF-UHFFFAOYSA-N 2 1 363.440 3.979 20 0 FHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000657286451 934935225 /nfs/dbraw/zinc/93/52/25/934935225.db2.gz XBOYOBIPZDTKFG-LJQANCHMSA-N 2 1 368.521 3.855 20 0 FHADMP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)n1 ZINC000653178398 934970964 /nfs/dbraw/zinc/97/09/64/934970964.db2.gz RDSUMZDSHFSZEA-HKUYNNGSSA-N 2 1 352.482 3.964 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000657293164 934973576 /nfs/dbraw/zinc/97/35/76/934973576.db2.gz JJMUVGGJJPFFBP-UHFFFAOYSA-N 2 1 354.494 3.516 20 0 FHADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000537021130 935010914 /nfs/dbraw/zinc/01/09/14/935010914.db2.gz FSKBXYRZCQHQHZ-INIZCTEOSA-N 2 1 371.481 3.761 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Br ZINC000511049078 935078808 /nfs/dbraw/zinc/07/88/08/935078808.db2.gz LLZFAHUGVUKUBB-LBPRGKRZSA-N 2 1 352.276 3.704 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000157906859 935220691 /nfs/dbraw/zinc/22/06/91/935220691.db2.gz CCSVVJCFNBDQBX-MSOLQXFVSA-N 2 1 359.514 3.806 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000582241525 935448758 /nfs/dbraw/zinc/44/87/58/935448758.db2.gz WOTIOGFJMWJXBP-FUHWJXTLSA-N 2 1 370.541 3.873 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374660 935453678 /nfs/dbraw/zinc/45/36/78/935453678.db2.gz PHLIDWBEIBGKJH-WBMJQRKESA-N 2 1 372.460 3.673 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374660 935453681 /nfs/dbraw/zinc/45/36/81/935453681.db2.gz PHLIDWBEIBGKJH-WBMJQRKESA-N 2 1 372.460 3.673 20 0 FHADMP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000582268205 935470459 /nfs/dbraw/zinc/47/04/59/935470459.db2.gz CJXIWEKJVPGRGQ-UHFFFAOYSA-N 2 1 351.878 3.774 20 0 FHADMP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000582268205 935470463 /nfs/dbraw/zinc/47/04/63/935470463.db2.gz CJXIWEKJVPGRGQ-UHFFFAOYSA-N 2 1 351.878 3.774 20 0 FHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)oc21 ZINC000657400062 935563448 /nfs/dbraw/zinc/56/34/48/935563448.db2.gz LCUDXJRREFAPQW-LEWJYISDSA-N 2 1 356.510 3.853 20 0 FHADMP CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)CC(C)(C)C[NH+](C)C)CC1 ZINC001207289141 935617787 /nfs/dbraw/zinc/61/77/87/935617787.db2.gz ZWKWVGYHQDBAML-UHFFFAOYSA-N 2 1 355.567 3.684 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237070736 935708593 /nfs/dbraw/zinc/70/85/93/935708593.db2.gz QQXUYEUCDUXAQU-HXUWFJFHSA-N 2 1 351.494 3.647 20 0 FHADMP CCCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657433249 935723229 /nfs/dbraw/zinc/72/32/29/935723229.db2.gz YSLFWZBNSNLDQO-KSEOMHKRSA-N 2 1 352.526 3.683 20 0 FHADMP COCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000563366561 935754335 /nfs/dbraw/zinc/75/43/35/935754335.db2.gz RKXPDDRTMVXMRB-QGZVFWFLSA-N 2 1 355.404 3.739 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452423 935805422 /nfs/dbraw/zinc/80/54/22/935805422.db2.gz FEUKPXQBKQTHOW-QGZVFWFLSA-N 2 1 374.326 3.764 20 0 FHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc4occc4c3)CC2)C[C@H](C)O1 ZINC000582573813 935843426 /nfs/dbraw/zinc/84/34/26/935843426.db2.gz UXIYUNBSIRBLPY-ROUUACIJSA-N 2 1 372.509 3.523 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586400 935849343 /nfs/dbraw/zinc/84/93/43/935849343.db2.gz MINCXZMSQLQKRO-PCODUJHASA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586400 935849348 /nfs/dbraw/zinc/84/93/48/935849348.db2.gz MINCXZMSQLQKRO-PCODUJHASA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586400 935849352 /nfs/dbraw/zinc/84/93/52/935849352.db2.gz MINCXZMSQLQKRO-PCODUJHASA-N 2 1 370.459 3.973 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000048750380 935852703 /nfs/dbraw/zinc/85/27/03/935852703.db2.gz UIMZYBVHKDDPLC-UHFFFAOYSA-N 2 1 372.476 3.619 20 0 FHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152883648 935877395 /nfs/dbraw/zinc/87/73/95/935877395.db2.gz IMMIMXCDCIDNKH-HSZRJFAPSA-N 2 1 365.521 3.764 20 0 FHADMP Fc1ccc(/C=C\CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793782 945130841 /nfs/dbraw/zinc/13/08/41/945130841.db2.gz QXKPDLOCZTXNBR-CWWFIGIMSA-N 2 1 372.459 3.859 20 0 FHADMP COCC[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)cc1 ZINC000152908822 935898150 /nfs/dbraw/zinc/89/81/50/935898150.db2.gz RCGFFDZCSPXNMJ-QFIPXVFZSA-N 2 1 371.500 3.595 20 0 FHADMP C[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000077276262 936043240 /nfs/dbraw/zinc/04/32/40/936043240.db2.gz QHGCUSFVODXYNT-UHFFFAOYSA-N 2 1 350.934 3.848 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000077417406 936051007 /nfs/dbraw/zinc/05/10/07/936051007.db2.gz PMYMDXSDIJEGHL-UHFFFAOYSA-N 2 1 371.916 3.886 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000563460845 936065454 /nfs/dbraw/zinc/06/54/54/936065454.db2.gz ZKHCSHCSQAHOOM-ZBFHGGJFSA-N 2 1 363.552 3.590 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)oc4ccccc43)cc2)C1 ZINC000657594882 936075591 /nfs/dbraw/zinc/07/55/91/936075591.db2.gz FDXUOBVLJYGTSF-QGZVFWFLSA-N 2 1 370.880 3.943 20 0 FHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237478419 936076138 /nfs/dbraw/zinc/07/61/38/936076138.db2.gz YZTNHPCQUKUZRB-OALUTQOASA-N 2 1 371.569 3.703 20 0 FHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CCC[NH+]4CCCC4)C3)n2)cc1 ZINC000119879667 936162258 /nfs/dbraw/zinc/16/22/58/936162258.db2.gz LSLOTDMXWOZMHM-QGZVFWFLSA-N 2 1 358.461 3.541 20 0 FHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCC4)C3)n2)cc1 ZINC000119879667 936162265 /nfs/dbraw/zinc/16/22/65/936162265.db2.gz LSLOTDMXWOZMHM-QGZVFWFLSA-N 2 1 358.461 3.541 20 0 FHADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167624992 936187995 /nfs/dbraw/zinc/18/79/95/936187995.db2.gz ORRSVRZPJCMWSM-KRWDZBQOSA-N 3 1 369.557 3.836 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237687527 936207334 /nfs/dbraw/zinc/20/73/34/936207334.db2.gz BDYKVSXJYLUVGR-HDICACEKSA-N 2 1 365.521 3.553 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000611728401 936221632 /nfs/dbraw/zinc/22/16/32/936221632.db2.gz XHJJYWZLCBTXJQ-LJQANCHMSA-N 2 1 374.573 3.592 20 0 FHADMP C[NH+](C)CC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000090668712 936252053 /nfs/dbraw/zinc/25/20/53/936252053.db2.gz VBDZWIMLQUJMDM-UHFFFAOYSA-N 3 1 361.549 3.543 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338845 938249303 /nfs/dbraw/zinc/24/93/03/938249303.db2.gz ZWQZNDNEUYLUAU-HTAPYJJXSA-N 2 1 351.494 3.788 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338845 938249304 /nfs/dbraw/zinc/24/93/04/938249304.db2.gz ZWQZNDNEUYLUAU-HTAPYJJXSA-N 2 1 351.494 3.788 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000583472446 938269192 /nfs/dbraw/zinc/26/91/92/938269192.db2.gz IRXZFFLOSQLRSE-YADHBBJMSA-N 2 1 371.569 3.608 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000472290738 938280739 /nfs/dbraw/zinc/28/07/39/938280739.db2.gz DDCLDALSGLKJSY-HXUWFJFHSA-N 2 1 360.542 3.747 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000635012986 938281226 /nfs/dbraw/zinc/28/12/26/938281226.db2.gz PQMYBHSBQCDRFW-JTQLQIEISA-N 2 1 355.816 3.954 20 0 FHADMP CCCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705602 938283803 /nfs/dbraw/zinc/28/38/03/938283803.db2.gz NKLKHDIRUJGRMK-VWPQPMDRSA-N 2 1 360.542 3.974 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723252 938310394 /nfs/dbraw/zinc/31/03/94/938310394.db2.gz KIHNCRXRNMPLSM-HYVNUMGLSA-N 2 1 363.552 3.732 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)co2)cc1 ZINC000650723451 938310732 /nfs/dbraw/zinc/31/07/32/938310732.db2.gz OFINAVSCQYBWNE-DFQSSKMNSA-N 2 1 355.482 3.511 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773872 938318861 /nfs/dbraw/zinc/31/88/61/938318861.db2.gz VBHHXHQRUMHMIQ-FQEVSTJZSA-N 2 1 364.537 3.689 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](NC[C@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630195 938326246 /nfs/dbraw/zinc/32/62/46/938326246.db2.gz MYJVYBSWQREMJV-IFMALSPDSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@H]3CCCC[N@@H+]3C3CC3)CC23CC3)cc1 ZINC000583630195 938326247 /nfs/dbraw/zinc/32/62/47/938326247.db2.gz MYJVYBSWQREMJV-IFMALSPDSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@H]3CCCC[N@H+]3C3CC3)CC23CC3)cc1 ZINC000583630195 938326250 /nfs/dbraw/zinc/32/62/50/938326250.db2.gz MYJVYBSWQREMJV-IFMALSPDSA-N 2 1 353.554 3.790 20 0 FHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646810 938336118 /nfs/dbraw/zinc/33/61/18/938336118.db2.gz MDADQIFGTMSCHU-AEFFLSMTSA-N 2 1 365.949 3.541 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646810 938336122 /nfs/dbraw/zinc/33/61/22/938336122.db2.gz MDADQIFGTMSCHU-AEFFLSMTSA-N 2 1 365.949 3.541 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657778519 938337408 /nfs/dbraw/zinc/33/74/08/938337408.db2.gz QPEGMBAIMNILMP-FGTMMUONSA-N 2 1 351.332 3.987 20 0 FHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000583656223 938341336 /nfs/dbraw/zinc/34/13/36/938341336.db2.gz LZJTYYLEWDLRAE-LZOLKVDOSA-N 2 1 370.459 3.791 20 0 FHADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665589 938348962 /nfs/dbraw/zinc/34/89/62/938348962.db2.gz FGMVTQMSXLEIMI-FCHUYYIVSA-N 2 1 371.569 3.606 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000246281297 938354887 /nfs/dbraw/zinc/35/48/87/938354887.db2.gz MONLWCUXGWQCLN-AMZGXZFVSA-N 2 1 369.553 3.598 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)c(F)c1 ZINC000650754333 938407940 /nfs/dbraw/zinc/40/79/40/938407940.db2.gz GNBIIWMAAOMEFI-MRXNPFEDSA-N 2 1 367.237 3.963 20 0 FHADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000583812247 938423880 /nfs/dbraw/zinc/42/38/80/938423880.db2.gz ZOPDTLRGWNWZGE-LZBANZJXSA-N 3 1 355.570 3.894 20 0 FHADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000583812247 938423883 /nfs/dbraw/zinc/42/38/83/938423883.db2.gz ZOPDTLRGWNWZGE-LZBANZJXSA-N 3 1 355.570 3.894 20 0 FHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583895283 938471064 /nfs/dbraw/zinc/47/10/64/938471064.db2.gz FWSJVXXQVLGOQI-PXNSSMCTSA-N 2 1 354.469 3.933 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151393007 938538889 /nfs/dbraw/zinc/53/88/89/938538889.db2.gz FYAHCVKGJVWFDI-FPOVZHCZSA-N 2 1 362.583 3.789 20 0 FHADMP CN(c1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000133118715 938560717 /nfs/dbraw/zinc/56/07/17/938560717.db2.gz JLXWSESXTFMVLP-UHFFFAOYSA-N 3 1 372.601 3.570 20 0 FHADMP CCc1onc(C)c1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000892379519 938804582 /nfs/dbraw/zinc/80/45/82/938804582.db2.gz DAUYJABYTXHQHY-UHFFFAOYSA-N 2 1 356.514 3.936 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000708539706 938814526 /nfs/dbraw/zinc/81/45/26/938814526.db2.gz DXUNRKPWMBQXSR-JXFKEZNVSA-N 2 1 364.493 3.836 20 0 FHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@@]12CCCO2 ZINC000562838746 938831190 /nfs/dbraw/zinc/83/11/90/938831190.db2.gz NJAMZGKCTYWSFQ-GPVXHPMSSA-N 2 1 372.553 3.746 20 0 FHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(O)c(F)c3)cc2)CC1 ZINC000892381109 938857341 /nfs/dbraw/zinc/85/73/41/938857341.db2.gz SCEOXFOMADDQEB-UHFFFAOYSA-N 2 1 357.473 3.921 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666747 938862691 /nfs/dbraw/zinc/86/26/91/938862691.db2.gz ZYESLCLQTNUCME-KNQAVFIVSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666747 938862695 /nfs/dbraw/zinc/86/26/95/938862695.db2.gz ZYESLCLQTNUCME-KNQAVFIVSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408855 938873171 /nfs/dbraw/zinc/87/31/71/938873171.db2.gz NINXDVGHBJOXOQ-SJLPKXTDSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408855 938873173 /nfs/dbraw/zinc/87/31/73/938873173.db2.gz NINXDVGHBJOXOQ-SJLPKXTDSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090667801 938881862 /nfs/dbraw/zinc/88/18/62/938881862.db2.gz ZDVFZSVFKWHLMI-LJQANCHMSA-N 2 1 370.585 3.994 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319083 938924543 /nfs/dbraw/zinc/92/45/43/938924543.db2.gz ZBRLJITXLGZBOF-INIZCTEOSA-N 2 1 368.403 3.539 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319083 938924545 /nfs/dbraw/zinc/92/45/45/938924545.db2.gz ZBRLJITXLGZBOF-INIZCTEOSA-N 2 1 368.403 3.539 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000657887857 938981889 /nfs/dbraw/zinc/98/18/89/938981889.db2.gz MUGJSXJTONDETP-GCJKJVERSA-N 2 1 360.542 3.633 20 0 FHADMP CCCCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457306 938987800 /nfs/dbraw/zinc/98/78/00/938987800.db2.gz ALFPKDOXYIVANP-QFIPXVFZSA-N 2 1 373.585 3.856 20 0 FHADMP C[N@H+](Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457751 938987855 /nfs/dbraw/zinc/98/78/55/938987855.db2.gz LYDJMYYISHNDKM-LJQANCHMSA-N 2 1 369.509 3.672 20 0 FHADMP C[N@@H+](Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457751 938987856 /nfs/dbraw/zinc/98/78/56/938987856.db2.gz LYDJMYYISHNDKM-LJQANCHMSA-N 2 1 369.509 3.672 20 0 FHADMP CC(C)C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457387 938987910 /nfs/dbraw/zinc/98/79/10/938987910.db2.gz BKNPVHWFPSVHTN-GMAHTHKFSA-N 2 1 357.586 3.917 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000685462139 938988512 /nfs/dbraw/zinc/98/85/12/938988512.db2.gz HHAMOFJHFDDYPK-UHFFFAOYSA-N 2 1 357.889 3.861 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000685462139 938988513 /nfs/dbraw/zinc/98/85/13/938988513.db2.gz HHAMOFJHFDDYPK-UHFFFAOYSA-N 2 1 357.889 3.861 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C2)CC1 ZINC000685462829 938988621 /nfs/dbraw/zinc/98/86/21/938988621.db2.gz OQOWOTTZTZMZHZ-JOCHJYFZSA-N 2 1 365.521 3.824 20 0 FHADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685471300 938989499 /nfs/dbraw/zinc/98/94/99/938989499.db2.gz BIGMABAEWCCVGT-NRFANRHFSA-N 2 1 368.525 3.838 20 0 FHADMP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000080339313 939000444 /nfs/dbraw/zinc/00/04/44/939000444.db2.gz PIQWBOGYYKMYDB-FXAWDEMLSA-N 2 1 354.494 3.847 20 0 FHADMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000080339313 939000445 /nfs/dbraw/zinc/00/04/45/939000445.db2.gz PIQWBOGYYKMYDB-FXAWDEMLSA-N 2 1 354.494 3.847 20 0 FHADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453237 939003460 /nfs/dbraw/zinc/00/34/60/939003460.db2.gz QGUZCCDAGHOKMD-JOCHJYFZSA-N 2 1 369.553 3.648 20 0 FHADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453237 939003461 /nfs/dbraw/zinc/00/34/61/939003461.db2.gz QGUZCCDAGHOKMD-JOCHJYFZSA-N 2 1 369.553 3.648 20 0 FHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C(F)F)nc1 ZINC000658014500 939018173 /nfs/dbraw/zinc/01/81/73/939018173.db2.gz VZQWTPOEEPXWSJ-AWEZNQCLSA-N 2 1 364.440 3.596 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134709 939030257 /nfs/dbraw/zinc/03/02/57/939030257.db2.gz BGCWJKQOFRIQNA-MVJPYGJCSA-N 2 1 356.535 3.597 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137064 939030675 /nfs/dbraw/zinc/03/06/75/939030675.db2.gz IRGAHCLZNWBNDF-IFMALSPDSA-N 2 1 354.469 3.560 20 0 FHADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136734 939031189 /nfs/dbraw/zinc/03/11/89/939031189.db2.gz FAHCWEMKQMNHMM-RBBKRZOGSA-N 2 1 353.510 3.525 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142214 939036071 /nfs/dbraw/zinc/03/60/71/939036071.db2.gz DNQOUMDXGSQJNA-ICSRJNTNSA-N 2 1 354.519 3.580 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138052 939040683 /nfs/dbraw/zinc/04/06/83/939040683.db2.gz MJIFFCCTMWSULA-DWJNZPNVSA-N 2 1 350.506 3.535 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658138196 939042488 /nfs/dbraw/zinc/04/24/88/939042488.db2.gz NBPVHTDGKWOCQJ-YADHBBJMSA-N 2 1 353.510 3.525 20 0 FHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138359 939042563 /nfs/dbraw/zinc/04/25/63/939042563.db2.gz JIBHULKIQFDNBH-IFMALSPDSA-N 2 1 366.505 3.565 20 0 FHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140822 939043342 /nfs/dbraw/zinc/04/33/42/939043342.db2.gz RDWXIKJZZDGBPP-FGSXEWAUSA-N 2 1 368.521 3.544 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000414900812 945227397 /nfs/dbraw/zinc/22/73/97/945227397.db2.gz FCTAZYNCYSATMR-KRWDZBQOSA-N 2 1 369.513 3.648 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109532 /nfs/dbraw/zinc/10/95/32/939109532.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109535 /nfs/dbraw/zinc/10/95/35/939109535.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109538 /nfs/dbraw/zinc/10/95/38/939109538.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 2 1 367.581 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109542 /nfs/dbraw/zinc/10/95/42/939109542.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 3 1 367.581 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109544 /nfs/dbraw/zinc/10/95/44/939109544.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109548 /nfs/dbraw/zinc/10/95/48/939109548.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109550 /nfs/dbraw/zinc/10/95/50/939109550.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 3 1 367.581 3.751 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)cc1 ZINC000658341796 939118429 /nfs/dbraw/zinc/11/84/29/939118429.db2.gz ALJTZKBJTHGOAT-MRXNPFEDSA-N 2 1 354.498 3.657 20 0 FHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658353358 939124085 /nfs/dbraw/zinc/12/40/85/939124085.db2.gz MFSKALOIAPZCPO-FQEVSTJZSA-N 2 1 369.597 3.794 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356226 939124892 /nfs/dbraw/zinc/12/48/92/939124892.db2.gz NBCJPZPACJXFTF-AUSIDOKSSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356226 939124896 /nfs/dbraw/zinc/12/48/96/939124896.db2.gz NBCJPZPACJXFTF-AUSIDOKSSA-N 2 1 355.570 3.609 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357151 939125523 /nfs/dbraw/zinc/12/55/23/939125523.db2.gz RQSARBYQEUPSFV-QGZVFWFLSA-N 3 1 352.526 3.953 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000519224112 945230896 /nfs/dbraw/zinc/23/08/96/945230896.db2.gz OIYULXYFEMWVEK-IBGZPJMESA-N 2 1 359.558 3.872 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225168 945232038 /nfs/dbraw/zinc/23/20/38/945232038.db2.gz WULDRDIGNRKCMV-QUCCMNQESA-N 2 1 351.579 3.610 20 0 FHADMP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472372458 939173761 /nfs/dbraw/zinc/17/37/61/939173761.db2.gz XPHJXNIVPPSAFH-PMACEKPBSA-N 2 1 354.494 3.573 20 0 FHADMP Nc1cccc(C[NH+]2CCCC3(CCC[N@H+](Cc4cccc(N)c4)C3)C2)c1 ZINC000660566785 945249635 /nfs/dbraw/zinc/24/96/35/945249635.db2.gz RRFSJUFSMGSDHV-UHFFFAOYSA-N 2 1 364.537 3.729 20 0 FHADMP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507472096 945257473 /nfs/dbraw/zinc/25/74/73/945257473.db2.gz QHTAFLSTIOHJJF-GVDBMIGSSA-N 2 1 358.473 3.782 20 0 FHADMP COc1cc2c(cc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)O[C@H](C)C2 ZINC000518267608 945271264 /nfs/dbraw/zinc/27/12/64/945271264.db2.gz NILCKVYUUOQGQS-FGTMMUONSA-N 2 1 360.542 3.866 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000511850526 945273881 /nfs/dbraw/zinc/27/38/81/945273881.db2.gz RJBSQJWLRUEFSD-SFHVURJKSA-N 2 1 357.542 3.523 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000507489684 945277113 /nfs/dbraw/zinc/27/71/13/945277113.db2.gz XUDXBNYXVPQBOC-ROUUACIJSA-N 2 1 353.510 3.716 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000507489684 945277120 /nfs/dbraw/zinc/27/71/20/945277120.db2.gz XUDXBNYXVPQBOC-ROUUACIJSA-N 2 1 353.510 3.716 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1c(C)nn(C)c1C ZINC000507493356 945277915 /nfs/dbraw/zinc/27/79/15/945277915.db2.gz HLGJFFHKWCWSKK-CLAROIROSA-N 2 1 366.553 3.988 20 0 FHADMP FC(F)(F)c1cccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000628233224 939913942 /nfs/dbraw/zinc/91/39/42/939913942.db2.gz PFPAIHDKNKBDFP-UHFFFAOYSA-N 2 1 370.459 3.873 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000507503539 945285112 /nfs/dbraw/zinc/28/51/12/945285112.db2.gz AFYSRLXOEQZOPW-DENIHFKCSA-N 2 1 366.553 3.673 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3C[C@H]3c3ccccc3)CC2)nc(C)[nH+]1 ZINC000584482221 940084871 /nfs/dbraw/zinc/08/48/71/940084871.db2.gz KYFXFFVLLOSVDM-NDXORKPFSA-N 2 1 350.510 3.844 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483056 940104641 /nfs/dbraw/zinc/10/46/41/940104641.db2.gz VVFSMHIKXPYYAR-UHFFFAOYSA-N 2 1 352.906 3.854 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483056 940104644 /nfs/dbraw/zinc/10/46/44/940104644.db2.gz VVFSMHIKXPYYAR-UHFFFAOYSA-N 2 1 352.906 3.854 20 0 FHADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135746 945309121 /nfs/dbraw/zinc/30/91/21/945309121.db2.gz ZYKTZHXRFHXCPH-QGZVFWFLSA-N 2 1 350.503 3.629 20 0 FHADMP Brc1cncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000309665709 940305184 /nfs/dbraw/zinc/30/51/84/940305184.db2.gz PGIVICQMQNHTNN-QGZVFWFLSA-N 2 1 374.326 3.846 20 0 FHADMP Brc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309665709 940305189 /nfs/dbraw/zinc/30/51/89/940305189.db2.gz PGIVICQMQNHTNN-QGZVFWFLSA-N 2 1 374.326 3.846 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548973773 940390547 /nfs/dbraw/zinc/39/05/47/940390547.db2.gz HBHVXLHPZJOQDF-IBGZPJMESA-N 2 1 357.542 3.524 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000376164788 940397907 /nfs/dbraw/zinc/39/79/07/940397907.db2.gz WTZLAVBFTYCEDU-SAWYMBPVSA-N 2 1 351.494 3.989 20 0 FHADMP CC[NH+](CC)CCSCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000511416883 940425415 /nfs/dbraw/zinc/42/54/15/940425415.db2.gz UTJSZZHVZSOACS-UHFFFAOYSA-N 2 1 363.571 3.672 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000414056841 940464807 /nfs/dbraw/zinc/46/48/07/940464807.db2.gz DWUMJXPQEVVTFI-SFHVURJKSA-N 2 1 354.494 3.687 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431752233 940470906 /nfs/dbraw/zinc/47/09/06/940470906.db2.gz RRLDPMFEMKKXBC-JOCHJYFZSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431752233 940470907 /nfs/dbraw/zinc/47/09/07/940470907.db2.gz RRLDPMFEMKKXBC-JOCHJYFZSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431752233 940470908 /nfs/dbraw/zinc/47/09/08/940470908.db2.gz RRLDPMFEMKKXBC-JOCHJYFZSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000414070117 940476708 /nfs/dbraw/zinc/47/67/08/940476708.db2.gz CDBQPVMQZFFHRO-MSOLQXFVSA-N 2 1 352.563 3.593 20 0 FHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777270 940492730 /nfs/dbraw/zinc/49/27/30/940492730.db2.gz APZHCDIZHPXUSA-UXHICEINSA-N 2 1 373.541 3.638 20 0 FHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777270 940492731 /nfs/dbraw/zinc/49/27/31/940492731.db2.gz APZHCDIZHPXUSA-UXHICEINSA-N 2 1 373.541 3.638 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccco1 ZINC000431783664 940498164 /nfs/dbraw/zinc/49/81/64/940498164.db2.gz UTIHMZVRCKSDHS-OALUTQOASA-N 2 1 361.530 3.576 20 0 FHADMP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)n2)c1 ZINC000161753172 940502197 /nfs/dbraw/zinc/50/21/97/940502197.db2.gz QTTGVXIGXJUGFA-GOSISDBHSA-N 2 1 372.488 3.931 20 0 FHADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)n2)c1 ZINC000161753172 940502200 /nfs/dbraw/zinc/50/22/00/940502200.db2.gz QTTGVXIGXJUGFA-GOSISDBHSA-N 2 1 372.488 3.931 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414104354 940508790 /nfs/dbraw/zinc/50/87/90/940508790.db2.gz FOYCMMIPQPVAMS-NQIIRXRSSA-N 2 1 368.521 3.811 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000414132737 940641160 /nfs/dbraw/zinc/64/11/60/940641160.db2.gz ZVMAGRFPGZPFNE-ZWKOTPCHSA-N 2 1 353.510 3.836 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414178045 940717274 /nfs/dbraw/zinc/71/72/74/940717274.db2.gz KBILSPPXQHBPSO-MSOLQXFVSA-N 2 1 360.546 3.943 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219499 940787292 /nfs/dbraw/zinc/78/72/92/940787292.db2.gz HMVXLJXPKQDFEX-TZMOSPSESA-N 2 1 350.506 3.942 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219499 940787293 /nfs/dbraw/zinc/78/72/93/940787293.db2.gz HMVXLJXPKQDFEX-TZMOSPSESA-N 2 1 350.506 3.942 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414297130 940913692 /nfs/dbraw/zinc/91/36/92/940913692.db2.gz SAYVTWKJPMPFHV-RDABAPPSSA-N 2 1 370.512 3.934 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000414301048 940916736 /nfs/dbraw/zinc/91/67/36/940916736.db2.gz VLDXGJCHZQMILX-NQSCKRDGSA-N 2 1 356.485 3.544 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000414301048 940916738 /nfs/dbraw/zinc/91/67/38/940916738.db2.gz VLDXGJCHZQMILX-NQSCKRDGSA-N 2 1 356.485 3.544 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660985 945365663 /nfs/dbraw/zinc/36/56/63/945365663.db2.gz YCAICQKBDVOVEV-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892607152 940937179 /nfs/dbraw/zinc/93/71/79/940937179.db2.gz HHVRMOUJDYKDKL-UONOGXRCSA-N 2 1 351.516 3.812 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892607152 940937182 /nfs/dbraw/zinc/93/71/82/940937182.db2.gz HHVRMOUJDYKDKL-UONOGXRCSA-N 2 1 351.516 3.812 20 0 FHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660985 945365626 /nfs/dbraw/zinc/36/56/26/945365626.db2.gz YCAICQKBDVOVEV-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660985 945365639 /nfs/dbraw/zinc/36/56/39/945365639.db2.gz YCAICQKBDVOVEV-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660985 945365651 /nfs/dbraw/zinc/36/56/51/945365651.db2.gz YCAICQKBDVOVEV-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000414351368 941024498 /nfs/dbraw/zinc/02/44/98/941024498.db2.gz RNTLMKVNUGAYOX-NRFANRHFSA-N 2 1 353.485 3.659 20 0 FHADMP CCN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000057888825 941066671 /nfs/dbraw/zinc/06/66/71/941066671.db2.gz RNVOIOYGFUTKLS-UHFFFAOYSA-N 2 1 357.542 3.628 20 0 FHADMP C[NH2+][C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1Cl ZINC000659291735 941150839 /nfs/dbraw/zinc/15/08/39/941150839.db2.gz MGPUYAHVULPTKN-GTNSWQLSSA-N 2 1 366.292 3.590 20 0 FHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000311249608 941152481 /nfs/dbraw/zinc/15/24/81/941152481.db2.gz IXCBOWCNNZVODM-INDMIFKZSA-N 2 1 367.578 3.875 20 0 FHADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000376595111 941285326 /nfs/dbraw/zinc/28/53/26/941285326.db2.gz KOUSCVNUAYIZCS-QHGAOEGBSA-N 2 1 368.525 3.667 20 0 FHADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000311429619 941288883 /nfs/dbraw/zinc/28/88/83/941288883.db2.gz GSABDXLCSRPKIS-QFIPXVFZSA-N 2 1 354.542 3.719 20 0 FHADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000311429619 941288889 /nfs/dbraw/zinc/28/88/89/941288889.db2.gz GSABDXLCSRPKIS-QFIPXVFZSA-N 2 1 354.542 3.719 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781893 941321775 /nfs/dbraw/zinc/32/17/75/941321775.db2.gz HYVGBOZNIOPYES-HARLFGEKSA-N 2 1 350.506 3.801 20 0 FHADMP [NH3+]C1(c2noc([C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)CCCC1 ZINC000414628422 941418820 /nfs/dbraw/zinc/41/88/20/941418820.db2.gz OIUQQDCRMOGOHS-HNNXBMFYSA-N 2 1 355.486 3.772 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651316 941425626 /nfs/dbraw/zinc/42/56/26/941425626.db2.gz BXRHDKDHZJBQLT-DLBZAZTESA-N 2 1 353.514 3.619 20 0 FHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000376861192 941453787 /nfs/dbraw/zinc/45/37/87/941453787.db2.gz RNQRZVJWNAPHQV-DDBAPUKQSA-N 2 1 356.432 3.597 20 0 FHADMP COc1ncc([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cc1Cl ZINC000377114631 941523515 /nfs/dbraw/zinc/52/35/15/941523515.db2.gz NDPRUEYGTSEBAX-GFCCVEGCSA-N 2 1 360.820 3.919 20 0 FHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000613644440 941538201 /nfs/dbraw/zinc/53/82/01/941538201.db2.gz KYFLFUMTIWRMEO-IBGZPJMESA-N 2 1 357.542 3.910 20 0 FHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000151973200 941558311 /nfs/dbraw/zinc/55/83/11/941558311.db2.gz CAJUTKWTTGGJLE-PWZMACLNSA-N 2 1 355.526 3.529 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000151973200 941558313 /nfs/dbraw/zinc/55/83/13/941558313.db2.gz CAJUTKWTTGGJLE-PWZMACLNSA-N 2 1 355.526 3.529 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056575 941576253 /nfs/dbraw/zinc/57/62/53/941576253.db2.gz SKNQGOMKDQCUDS-TZIWHRDSSA-N 2 1 350.510 3.814 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689947 941577110 /nfs/dbraw/zinc/57/71/10/941577110.db2.gz UMOFWLAYXZEVLI-PKOBYXMFSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689947 941577113 /nfs/dbraw/zinc/57/71/13/941577113.db2.gz UMOFWLAYXZEVLI-PKOBYXMFSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689947 941577116 /nfs/dbraw/zinc/57/71/16/941577116.db2.gz UMOFWLAYXZEVLI-PKOBYXMFSA-N 2 1 372.488 3.930 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000472691843 941584354 /nfs/dbraw/zinc/58/43/54/941584354.db2.gz QKFUNGKXRAAFRD-LJQANCHMSA-N 2 1 353.514 3.526 20 0 FHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000415120891 941617173 /nfs/dbraw/zinc/61/71/73/941617173.db2.gz GMWXBNSNOWSCOL-RDJZCZTQSA-N 2 1 374.859 3.660 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCCCCC2)CC1 ZINC000549194352 941624152 /nfs/dbraw/zinc/62/41/52/941624152.db2.gz KAMPEDKIDBTIJH-UHFFFAOYSA-N 2 1 371.569 3.730 20 0 FHADMP [NH3+]C1(CNCc2cc(F)cc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415135780 941625936 /nfs/dbraw/zinc/62/59/36/941625936.db2.gz QPDKQPZIJXICIU-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP [NH3+]C1(CNCc2ccc(Cl)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140394 941627337 /nfs/dbraw/zinc/62/73/37/941627337.db2.gz ZCHXUOXKTZBYDV-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc[nH+]c2ccsc21 ZINC000431840505 941649469 /nfs/dbraw/zinc/64/94/69/941649469.db2.gz NUTSZKTWOHRJHA-UHFFFAOYSA-N 2 1 372.582 3.929 20 0 FHADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCCC[NH+]1C ZINC000472736292 941655108 /nfs/dbraw/zinc/65/51/08/941655108.db2.gz IKZQGQVJEHKPQW-FQEVSTJZSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCCC[N@@H+]1C ZINC000472736292 941655111 /nfs/dbraw/zinc/65/51/11/941655111.db2.gz IKZQGQVJEHKPQW-FQEVSTJZSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCCC[N@H+]1C ZINC000472736292 941655116 /nfs/dbraw/zinc/65/51/16/941655116.db2.gz IKZQGQVJEHKPQW-FQEVSTJZSA-N 2 1 358.505 3.955 20 0 FHADMP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000729330073 941718332 /nfs/dbraw/zinc/71/83/32/941718332.db2.gz ICAZSSCAGLIUAL-UNMCSNQZSA-N 2 1 371.569 3.937 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000509916212 941804388 /nfs/dbraw/zinc/80/43/88/941804388.db2.gz WGHAFIQIXDPPQO-MRXNPFEDSA-N 2 1 362.468 3.670 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4C)o3)C2)CC1 ZINC000093132982 941871462 /nfs/dbraw/zinc/87/14/62/941871462.db2.gz BIWYSNHQYCSTLN-LJQANCHMSA-N 2 1 371.500 3.606 20 0 FHADMP CN1CCN([C@@H]2CCCC[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692882 941906604 /nfs/dbraw/zinc/90/66/04/941906604.db2.gz GZZPHORAADSWHG-ZRBLBEILSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692882 941906606 /nfs/dbraw/zinc/90/66/06/941906606.db2.gz GZZPHORAADSWHG-ZRBLBEILSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692882 941906611 /nfs/dbraw/zinc/90/66/11/941906611.db2.gz GZZPHORAADSWHG-ZRBLBEILSA-N 2 1 355.570 3.599 20 0 FHADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000513460826 941939710 /nfs/dbraw/zinc/93/97/10/941939710.db2.gz IKMFEDGACBZWCG-ROUUACIJSA-N 2 1 369.347 3.583 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543933 942004586 /nfs/dbraw/zinc/00/45/86/942004586.db2.gz BCIIBOSDGFFBEP-QUCCMNQESA-N 2 1 362.521 3.964 20 0 FHADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3ccccc3)s2)CC1 ZINC000513578001 942021921 /nfs/dbraw/zinc/02/19/21/942021921.db2.gz NDPMJETYKWLFNJ-KRWDZBQOSA-N 2 1 358.551 3.940 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H]2CCC[C@H]21 ZINC000513656724 942059478 /nfs/dbraw/zinc/05/94/78/942059478.db2.gz WVLBEKCVTXJXKA-XOKHGSTOSA-N 2 1 355.295 3.593 20 0 FHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4cccc(C)c4s3)CC2)CC1 ZINC000420630708 942127767 /nfs/dbraw/zinc/12/77/67/942127767.db2.gz TTWLALMPYWQKFL-UHFFFAOYSA-N 2 1 358.555 3.601 20 0 FHADMP CC[NH+]1CCC([N@H+]2CCCN(c3nc4cccc(C)c4s3)CC2)CC1 ZINC000420630708 942127781 /nfs/dbraw/zinc/12/77/81/942127781.db2.gz TTWLALMPYWQKFL-UHFFFAOYSA-N 2 1 358.555 3.601 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000415914202 942137048 /nfs/dbraw/zinc/13/70/48/942137048.db2.gz VFUINFIWNMNELZ-GOSISDBHSA-N 2 1 372.557 3.914 20 0 FHADMP CCN(C(=O)Nc1ccccc1C[NH2+]C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415917386 942141473 /nfs/dbraw/zinc/14/14/73/942141473.db2.gz DDCOFBHGPPUUHT-FQEVSTJZSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415926938 942163978 /nfs/dbraw/zinc/16/39/78/942163978.db2.gz BZLXYIHMUIUMAK-MSOLQXFVSA-N 2 1 366.509 3.533 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000415953326 942193390 /nfs/dbraw/zinc/19/33/90/942193390.db2.gz LDFRQDRDEABOSU-SFHVURJKSA-N 2 1 368.525 3.828 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000415954870 942196461 /nfs/dbraw/zinc/19/64/61/942196461.db2.gz HDKTYKUZPUJRLN-MOPGFXCFSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000415954870 942196463 /nfs/dbraw/zinc/19/64/63/942196463.db2.gz HDKTYKUZPUJRLN-MOPGFXCFSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000415974831 942227103 /nfs/dbraw/zinc/22/71/03/942227103.db2.gz RNJUFRVALBUPCC-UHFFFAOYSA-N 2 1 358.530 3.526 20 0 FHADMP Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414475723 942228810 /nfs/dbraw/zinc/22/88/10/942228810.db2.gz YFFSGGZTJMJANL-QFIPXVFZSA-N 2 1 366.553 3.851 20 0 FHADMP Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414475723 942228814 /nfs/dbraw/zinc/22/88/14/942228814.db2.gz YFFSGGZTJMJANL-QFIPXVFZSA-N 2 1 366.553 3.851 20 0 FHADMP COCC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000420906542 942248273 /nfs/dbraw/zinc/24/82/73/942248273.db2.gz SMDJIAJTVIFEDE-HXUWFJFHSA-N 2 1 368.521 3.728 20 0 FHADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000420906542 942248277 /nfs/dbraw/zinc/24/82/77/942248277.db2.gz SMDJIAJTVIFEDE-HXUWFJFHSA-N 2 1 368.521 3.728 20 0 FHADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000420906542 942248280 /nfs/dbraw/zinc/24/82/80/942248280.db2.gz SMDJIAJTVIFEDE-HXUWFJFHSA-N 2 1 368.521 3.728 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415999230 942249931 /nfs/dbraw/zinc/24/99/31/942249931.db2.gz VADKAPKKYSCVCU-QGZVFWFLSA-N 2 1 370.541 3.798 20 0 FHADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCc2cccnc21 ZINC000501054190 942280476 /nfs/dbraw/zinc/28/04/76/942280476.db2.gz WWGAIJZEVLPVRR-JOCHJYFZSA-N 2 1 372.601 3.833 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc4ccccc4c3)CC2)CC1 ZINC000420982002 942280936 /nfs/dbraw/zinc/28/09/36/942280936.db2.gz NZJONYCMMGTPKU-UHFFFAOYSA-N 2 1 365.565 3.874 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000420978702 942288865 /nfs/dbraw/zinc/28/88/65/942288865.db2.gz JPKVGEUDSVSGSO-UHFFFAOYSA-N 2 1 351.485 3.616 20 0 FHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260405 942320200 /nfs/dbraw/zinc/32/02/00/942320200.db2.gz WUUVHRQLVYLXID-SFTDATJTSA-N 2 1 360.542 3.635 20 0 FHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260405 942320206 /nfs/dbraw/zinc/32/02/06/942320206.db2.gz WUUVHRQLVYLXID-SFTDATJTSA-N 2 1 360.542 3.635 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180131313 942327143 /nfs/dbraw/zinc/32/71/43/942327143.db2.gz HXEZSAOLEQBUQJ-VIQWUECVSA-N 2 1 367.578 3.924 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000501154889 942328504 /nfs/dbraw/zinc/32/85/04/942328504.db2.gz QYKZJJOPJMXIRQ-HDICACEKSA-N 2 1 354.604 3.874 20 0 FHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292508 942336837 /nfs/dbraw/zinc/33/68/37/942336837.db2.gz XEMFHKGMQBKXNO-XLIONFOSSA-N 2 1 360.542 3.797 20 0 FHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292508 942336842 /nfs/dbraw/zinc/33/68/42/942336842.db2.gz XEMFHKGMQBKXNO-XLIONFOSSA-N 2 1 360.542 3.797 20 0 FHADMP [NH3+]CCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378203385 942393150 /nfs/dbraw/zinc/39/31/50/942393150.db2.gz QDNGSWAFAISLPS-NHCUHLMSSA-N 2 1 357.542 3.551 20 0 FHADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502430223 942428159 /nfs/dbraw/zinc/42/81/59/942428159.db2.gz KKADHZQWJVLRBI-LMVRJCEZSA-N 2 1 360.542 3.591 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@]3(CO)C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000421342811 942495815 /nfs/dbraw/zinc/49/58/15/942495815.db2.gz OOAFYTHBTNPPMH-MGPUTAFESA-N 2 1 365.587 3.577 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@]3(CO)C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000421342811 942495816 /nfs/dbraw/zinc/49/58/16/942495816.db2.gz OOAFYTHBTNPPMH-MGPUTAFESA-N 2 1 365.587 3.577 20 0 FHADMP C[NH2+]C[C@H](C)CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420196350 942570888 /nfs/dbraw/zinc/57/08/88/942570888.db2.gz KUNYIPRNDWJZKO-AWEZNQCLSA-N 2 1 369.538 3.687 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420298656 942608683 /nfs/dbraw/zinc/60/86/83/942608683.db2.gz FNJHXENGNWJXLS-SUMWQHHRSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420298656 942608686 /nfs/dbraw/zinc/60/86/86/942608686.db2.gz FNJHXENGNWJXLS-SUMWQHHRSA-N 2 1 370.324 3.786 20 0 FHADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420301808 942611769 /nfs/dbraw/zinc/61/17/69/942611769.db2.gz AZPUBNFRYBIPJA-WIYYLYMNSA-N 2 1 351.494 3.736 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420319509 942620266 /nfs/dbraw/zinc/62/02/66/942620266.db2.gz AIGLDFZKTPFPDQ-SFTDATJTSA-N 2 1 363.505 3.760 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420332579 942631111 /nfs/dbraw/zinc/63/11/11/942631111.db2.gz DHDVUNCZFBTRMG-QAPCUYQASA-N 2 1 363.933 3.748 20 0 FHADMP CC(C)c1ccc([C@H](NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)C(C)C)cc1 ZINC000420358756 942637003 /nfs/dbraw/zinc/63/70/03/942637003.db2.gz JDBGCHIRMOAHTA-PZJWPPBQSA-N 2 1 359.558 3.601 20 0 FHADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420363071 942640053 /nfs/dbraw/zinc/64/00/53/942640053.db2.gz NRWSAEHXCUHAJX-WOJBJXKFSA-N 2 1 371.569 3.625 20 0 FHADMP c1ccc(C(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000420366651 942641752 /nfs/dbraw/zinc/64/17/52/942641752.db2.gz JLTUZFPRJYHNJK-HSZRJFAPSA-N 2 1 350.506 3.868 20 0 FHADMP c1ccc(C(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000420366651 942641756 /nfs/dbraw/zinc/64/17/56/942641756.db2.gz JLTUZFPRJYHNJK-HSZRJFAPSA-N 2 1 350.506 3.868 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377981 942646359 /nfs/dbraw/zinc/64/63/59/942646359.db2.gz AUYQRAZDUVQXGK-XJKSGUPXSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405574 942662731 /nfs/dbraw/zinc/66/27/31/942662731.db2.gz TYOAIQHPKYIMKS-UNMCSNQZSA-N 2 1 363.505 3.903 20 0 FHADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420403507 942662768 /nfs/dbraw/zinc/66/27/68/942662768.db2.gz LAGJBEOQAJNBDW-PKOBYXMFSA-N 2 1 351.494 3.599 20 0 FHADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420407710 942664189 /nfs/dbraw/zinc/66/41/89/942664189.db2.gz OOCOKSFWDAXBOQ-QZTJIDSGSA-N 2 1 367.493 3.724 20 0 FHADMP Cc1ccc2nc(NC(=O)C[NH+]3CCC(CCC[NH+](C)C)CC3)sc2c1 ZINC000501780253 942669887 /nfs/dbraw/zinc/66/98/87/942669887.db2.gz YLXXNGZZEBVXMY-UHFFFAOYSA-N 2 1 374.554 3.597 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)[C@H](C)C1 ZINC000502722774 942695036 /nfs/dbraw/zinc/69/50/36/942695036.db2.gz PQCIBPNJQIZGIR-LQWHRVPQSA-N 2 1 362.562 3.786 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)[C@H](C)C1 ZINC000502722774 942695039 /nfs/dbraw/zinc/69/50/39/942695039.db2.gz PQCIBPNJQIZGIR-LQWHRVPQSA-N 2 1 362.562 3.786 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414541232 942728134 /nfs/dbraw/zinc/72/81/34/942728134.db2.gz CFVSRGDPJHEYIV-JOCHJYFZSA-N 2 1 374.488 3.929 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000514094549 942744173 /nfs/dbraw/zinc/74/41/73/942744173.db2.gz KRRHJTRTRGQRRZ-PZJWPPBQSA-N 2 1 352.563 3.896 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(C)c(OC)c3)no2)CC1 ZINC000434622267 942795299 /nfs/dbraw/zinc/79/52/99/942795299.db2.gz CFRGUTBLZBSCMA-UHFFFAOYSA-N 2 1 372.513 3.607 20 0 FHADMP COc1ccc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cc1C[NH+]1CCCCC1 ZINC000378512194 942846260 /nfs/dbraw/zinc/84/62/60/942846260.db2.gz JVFDUYQVRZHCPC-JXFKEZNVSA-N 2 1 368.525 3.612 20 0 FHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1C[NH+]1CCCCC1 ZINC000378512199 942846270 /nfs/dbraw/zinc/84/62/70/942846270.db2.gz JVFDUYQVRZHCPC-OXQOHEQNSA-N 2 1 368.525 3.612 20 0 FHADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688678 942865885 /nfs/dbraw/zinc/86/58/85/942865885.db2.gz ORRNEBQSUPPSFA-HKUYNNGSSA-N 2 1 372.557 3.578 20 0 FHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000502960367 942877569 /nfs/dbraw/zinc/87/75/69/942877569.db2.gz NVSKEYHKQAPBPM-FHWLQOOXSA-N 2 1 374.573 3.678 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000509978681 942889096 /nfs/dbraw/zinc/88/90/96/942889096.db2.gz WCGYSUNWGYQJMG-UHFFFAOYSA-N 2 1 374.229 3.735 20 0 FHADMP CCN1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730232 942899307 /nfs/dbraw/zinc/89/93/07/942899307.db2.gz YMAISNGMVRFDRW-LQBOVUBWSA-N 2 1 370.541 3.895 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)oc1C ZINC000503044891 942936798 /nfs/dbraw/zinc/93/67/98/942936798.db2.gz OMAFTRWFSFLESI-LEWJYISDSA-N 2 1 353.510 3.897 20 0 FHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503048266 942939378 /nfs/dbraw/zinc/93/93/78/942939378.db2.gz BBIOIQJZFNXPJA-QYZOEREBSA-N 2 1 374.573 3.535 20 0 FHADMP Cc1nc(C(F)(F)F)c(C[N@H+](C)C2CCN(c3ccccn3)CC2)s1 ZINC000363888022 942968787 /nfs/dbraw/zinc/96/87/87/942968787.db2.gz OWYYXQGBCJMGLB-UHFFFAOYSA-N 2 1 370.444 3.966 20 0 FHADMP C[NH2+][C@H](C)Cc1noc(-c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC000414652383 943104345 /nfs/dbraw/zinc/10/43/45/943104345.db2.gz WLJYCXBHBCETFX-MRXNPFEDSA-N 2 1 350.466 3.519 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000503316902 943121061 /nfs/dbraw/zinc/12/10/61/943121061.db2.gz RUHRPTHTMVFYQU-NRFANRHFSA-N 2 1 365.606 3.858 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1)CC(C)C ZINC000503316902 943121065 /nfs/dbraw/zinc/12/10/65/943121065.db2.gz RUHRPTHTMVFYQU-NRFANRHFSA-N 2 1 365.606 3.858 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1)CC(C)C ZINC000503316902 943121069 /nfs/dbraw/zinc/12/10/69/943121069.db2.gz RUHRPTHTMVFYQU-NRFANRHFSA-N 2 1 365.606 3.858 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414666691 943160304 /nfs/dbraw/zinc/16/03/04/943160304.db2.gz XAPGUSCSMPULTO-SFHVURJKSA-N 2 1 350.457 3.573 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414666691 943160306 /nfs/dbraw/zinc/16/03/06/943160306.db2.gz XAPGUSCSMPULTO-SFHVURJKSA-N 2 1 350.457 3.573 20 0 FHADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435125163 943180147 /nfs/dbraw/zinc/18/01/47/943180147.db2.gz VWRULHHIAVHALG-GOSISDBHSA-N 2 1 350.466 3.624 20 0 FHADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435125163 943180150 /nfs/dbraw/zinc/18/01/50/943180150.db2.gz VWRULHHIAVHALG-GOSISDBHSA-N 2 1 350.466 3.624 20 0 FHADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435125163 943180153 /nfs/dbraw/zinc/18/01/53/943180153.db2.gz VWRULHHIAVHALG-GOSISDBHSA-N 2 1 350.466 3.624 20 0 FHADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435125163 943180156 /nfs/dbraw/zinc/18/01/56/943180156.db2.gz VWRULHHIAVHALG-GOSISDBHSA-N 2 1 350.466 3.624 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733777 943211893 /nfs/dbraw/zinc/21/18/93/943211893.db2.gz JHUWWUBRWTZTHQ-VXKWHMMOSA-N 2 1 354.469 3.633 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430129184 943222504 /nfs/dbraw/zinc/22/25/04/943222504.db2.gz ZPEYZVKDZVFQFH-OAQYLSRUSA-N 2 1 372.944 3.729 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430129184 943222507 /nfs/dbraw/zinc/22/25/07/943222507.db2.gz ZPEYZVKDZVFQFH-OAQYLSRUSA-N 2 1 372.944 3.729 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430129184 943222510 /nfs/dbraw/zinc/22/25/10/943222510.db2.gz ZPEYZVKDZVFQFH-OAQYLSRUSA-N 2 1 372.944 3.729 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430129184 943222513 /nfs/dbraw/zinc/22/25/13/943222513.db2.gz ZPEYZVKDZVFQFH-OAQYLSRUSA-N 2 1 372.944 3.729 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272866328 943235183 /nfs/dbraw/zinc/23/51/83/943235183.db2.gz LKXXBDJEPIDNBP-KGLIPLIRSA-N 2 1 352.320 3.587 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272866328 943235188 /nfs/dbraw/zinc/23/51/88/943235188.db2.gz LKXXBDJEPIDNBP-KGLIPLIRSA-N 2 1 352.320 3.587 20 0 FHADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422695004 943248190 /nfs/dbraw/zinc/24/81/90/943248190.db2.gz OTFULIWIBOEVTO-HLLQZAQXSA-N 2 1 356.441 3.741 20 0 FHADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422724019 943259148 /nfs/dbraw/zinc/25/91/48/943259148.db2.gz UBHXOGMFEZEIFM-UTKZUKDTSA-N 2 1 353.510 3.719 20 0 FHADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726339 943260351 /nfs/dbraw/zinc/26/03/51/943260351.db2.gz DQBSBCJIIQFHAO-SCLBCKFNSA-N 2 1 356.341 3.545 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757795 943262587 /nfs/dbraw/zinc/26/25/87/943262587.db2.gz IYZXRTXOKMVNOL-WLWJZTKJSA-N 2 1 369.475 3.818 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000422758737 943263179 /nfs/dbraw/zinc/26/31/79/943263179.db2.gz KQXUNEJNLRWWFU-SNVBAGLBSA-N 2 1 352.251 3.601 20 0 FHADMP CC1CC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431913276 943264113 /nfs/dbraw/zinc/26/41/13/943264113.db2.gz LXAPRXYMYIVDPU-JOCHJYFZSA-N 2 1 371.569 3.799 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744047 943267723 /nfs/dbraw/zinc/26/77/23/943267723.db2.gz JRAUGNUAQDXQPF-ZDFPQIBNSA-N 2 1 371.569 3.733 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744045 943268160 /nfs/dbraw/zinc/26/81/60/943268160.db2.gz JRAUGNUAQDXQPF-PDGJWGCVSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422802128 943288764 /nfs/dbraw/zinc/28/87/64/943288764.db2.gz AXSJLOOVCWHSJV-DNVCBOLYSA-N 2 1 366.427 3.814 20 0 FHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)c2ccccc21 ZINC000422808177 943290173 /nfs/dbraw/zinc/29/01/73/943290173.db2.gz APFOXJZGCAQBKV-ZWKOTPCHSA-N 2 1 350.384 4.000 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422865492 943310905 /nfs/dbraw/zinc/31/09/05/943310905.db2.gz YFQVTEDXCIVFOD-DNVCBOLYSA-N 2 1 359.901 3.525 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880443 943314900 /nfs/dbraw/zinc/31/49/00/943314900.db2.gz LWVMFCVGOJSVRW-FGTMMUONSA-N 2 1 352.526 3.823 20 0 FHADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422892349 943320105 /nfs/dbraw/zinc/32/01/05/943320105.db2.gz MWGSRDHQGPNSRC-GDIGMMSISA-N 2 1 356.466 3.516 20 0 FHADMP CC[N@H+](Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc1)C1CC1 ZINC000505661266 943321798 /nfs/dbraw/zinc/32/17/98/943321798.db2.gz MYPMNSVEOSSRBK-UHFFFAOYSA-N 2 1 366.509 3.653 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc1)C1CC1 ZINC000505661266 943321803 /nfs/dbraw/zinc/32/18/03/943321803.db2.gz MYPMNSVEOSSRBK-UHFFFAOYSA-N 2 1 366.509 3.653 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422911225 943328321 /nfs/dbraw/zinc/32/83/21/943328321.db2.gz KKJUMUFQEVVDAN-RJGXRXQPSA-N 2 1 371.569 3.562 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422933869 943336339 /nfs/dbraw/zinc/33/63/39/943336339.db2.gz IOTCIIVECOJNMR-FDFHNCONSA-N 2 1 366.505 3.512 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422933867 943336431 /nfs/dbraw/zinc/33/64/31/943336431.db2.gz IOTCIIVECOJNMR-BHDDXSALSA-N 2 1 366.505 3.512 20 0 FHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000422941812 943340289 /nfs/dbraw/zinc/34/02/89/943340289.db2.gz IMTHHVRFMMQSCL-YOOVYSLHSA-N 2 1 353.329 3.859 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422953074 943348145 /nfs/dbraw/zinc/34/81/45/943348145.db2.gz CXHQUVJCKKHDCW-QPXQOZNCSA-N 2 1 367.537 3.666 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422953073 943348199 /nfs/dbraw/zinc/34/81/99/943348199.db2.gz CXHQUVJCKKHDCW-ISJRUSPKSA-N 2 1 367.537 3.666 20 0 FHADMP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706782 943350234 /nfs/dbraw/zinc/35/02/34/943350234.db2.gz HISZPROBZFAOTA-UHFFFAOYSA-N 2 1 360.546 3.900 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@](C)(C[NH3+])C1)C1CCCCC1 ZINC000414708846 943351537 /nfs/dbraw/zinc/35/15/37/943351537.db2.gz JIXJLNHBKKQPHT-OAQYLSRUSA-N 2 1 358.530 3.654 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000435374341 943355752 /nfs/dbraw/zinc/35/57/52/943355752.db2.gz QKUBDHFYRVWUAF-IFXJQAMLSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000435374341 943355757 /nfs/dbraw/zinc/35/57/57/943355757.db2.gz QKUBDHFYRVWUAF-IFXJQAMLSA-N 2 1 357.885 3.761 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423003291 943361708 /nfs/dbraw/zinc/36/17/08/943361708.db2.gz HHFBAHLYJCOTLU-YTFSRNRJSA-N 3 1 367.537 3.922 20 0 FHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423003291 943361713 /nfs/dbraw/zinc/36/17/13/943361713.db2.gz HHFBAHLYJCOTLU-YTFSRNRJSA-N 2 1 367.537 3.922 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002977 943362220 /nfs/dbraw/zinc/36/22/20/943362220.db2.gz KKHCOBBPOPUBFI-LQWHRVPQSA-N 3 1 366.553 3.800 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369279 943362528 /nfs/dbraw/zinc/36/25/28/943362528.db2.gz DDFTVWZCTNJPFN-INIZCTEOSA-N 2 1 357.885 3.634 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369279 943362535 /nfs/dbraw/zinc/36/25/35/943362535.db2.gz DDFTVWZCTNJPFN-INIZCTEOSA-N 2 1 357.885 3.634 20 0 FHADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435369983 943364288 /nfs/dbraw/zinc/36/42/88/943364288.db2.gz HEPPULANHNKDRS-QFBILLFUSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435369983 943364290 /nfs/dbraw/zinc/36/42/90/943364290.db2.gz HEPPULANHNKDRS-QFBILLFUSA-N 2 1 366.534 3.829 20 0 FHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012603 943364655 /nfs/dbraw/zinc/36/46/55/943364655.db2.gz LEAXODMZVHNUEL-IYWMVGAKSA-N 2 1 359.876 3.959 20 0 FHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370529 943364643 /nfs/dbraw/zinc/36/46/43/943364643.db2.gz JCRIQGUXNBCQGI-HOCLYGCPSA-N 2 1 357.885 3.761 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435377062 943366897 /nfs/dbraw/zinc/36/68/97/943366897.db2.gz XRUACZROAVRYEV-IBGZPJMESA-N 2 1 353.510 3.709 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435379126 943368226 /nfs/dbraw/zinc/36/82/26/943368226.db2.gz LBTCEFABCXZWSA-PBHICJAKSA-N 2 1 360.933 3.761 20 0 FHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382152 943371198 /nfs/dbraw/zinc/37/11/98/943371198.db2.gz ZTNMNOZPNSJYKW-RXVVDRJESA-N 2 1 360.505 3.768 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382891 943371950 /nfs/dbraw/zinc/37/19/50/943371950.db2.gz FOUYZOSZNFKGJF-RHSMWYFYSA-N 2 1 366.431 3.509 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382891 943371958 /nfs/dbraw/zinc/37/19/58/943371958.db2.gz FOUYZOSZNFKGJF-RHSMWYFYSA-N 2 1 366.431 3.509 20 0 FHADMP COc1cc(Br)ccc1CCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423036986 943372938 /nfs/dbraw/zinc/37/29/38/943372938.db2.gz VFIBRQUDCHRCLU-LBPRGKRZSA-N 2 1 364.287 3.549 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387358 943374508 /nfs/dbraw/zinc/37/45/08/943374508.db2.gz ZWIVIXUBVPNAKJ-AZUAARDMSA-N 2 1 353.510 3.837 20 0 FHADMP COc1c(C)cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435387143 943374697 /nfs/dbraw/zinc/37/46/97/943374697.db2.gz XKKYREWLTCCVEA-OAQYLSRUSA-N 2 1 353.510 3.851 20 0 FHADMP COc1c(C)cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435387143 943374704 /nfs/dbraw/zinc/37/47/04/943374704.db2.gz XKKYREWLTCCVEA-OAQYLSRUSA-N 2 1 353.510 3.851 20 0 FHADMP C[C@@H](CCc1ccccc1)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435420368 943400711 /nfs/dbraw/zinc/40/07/11/943400711.db2.gz BUNGCGSYCMFKOC-FPOVZHCZSA-N 2 1 366.553 3.633 20 0 FHADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423104793 943401832 /nfs/dbraw/zinc/40/18/32/943401832.db2.gz MRNDSXJGGOKJJR-PWRODBHTSA-N 2 1 351.494 3.671 20 0 FHADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423113320 943405789 /nfs/dbraw/zinc/40/57/89/943405789.db2.gz UANPRGWXIVIURT-NSHDSACASA-N 2 1 369.387 3.607 20 0 FHADMP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414718604 943406732 /nfs/dbraw/zinc/40/67/32/943406732.db2.gz WGUMTVLQEIHYMF-OAQYLSRUSA-N 2 1 360.546 3.946 20 0 FHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423148683 943408771 /nfs/dbraw/zinc/40/87/71/943408771.db2.gz WHYGDEOITPIBIR-ATZDWAIDSA-N 2 1 358.917 3.926 20 0 FHADMP Cc1cccc2ncc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n21 ZINC000435430104 943409015 /nfs/dbraw/zinc/40/90/15/943409015.db2.gz YBILNTAWVBTJBO-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP Cc1cccc2ncc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n21 ZINC000435430104 943409019 /nfs/dbraw/zinc/40/90/19/943409019.db2.gz YBILNTAWVBTJBO-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423135168 943414630 /nfs/dbraw/zinc/41/46/30/943414630.db2.gz FHQAIDYLRZFSQX-TUACAJSNSA-N 2 1 365.565 3.837 20 0 FHADMP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423136618 943415868 /nfs/dbraw/zinc/41/58/68/943415868.db2.gz VJDHWRSHKVKQKH-LLGFUMIMSA-N 2 1 372.415 3.634 20 0 FHADMP CC1CC[NH+](CCC[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208311 943431379 /nfs/dbraw/zinc/43/13/79/943431379.db2.gz HQTWMMCEWKTHNW-KNQAVFIVSA-N 2 1 361.549 3.968 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H](C)c1nc2ccccc2s1 ZINC000423190666 943435618 /nfs/dbraw/zinc/43/56/18/943435618.db2.gz RIUAKWGEVCZLGC-HOTGVXAUSA-N 2 1 354.523 3.953 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNCc2cccnc2)CC1 ZINC000423192242 943436890 /nfs/dbraw/zinc/43/68/90/943436890.db2.gz UYGVTTJRBVJFED-UHFFFAOYSA-N 2 1 366.553 3.594 20 0 FHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000423192242 943436895 /nfs/dbraw/zinc/43/68/95/943436895.db2.gz UYGVTTJRBVJFED-UHFFFAOYSA-N 3 1 366.553 3.594 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000423192242 943436899 /nfs/dbraw/zinc/43/68/99/943436899.db2.gz UYGVTTJRBVJFED-UHFFFAOYSA-N 3 1 366.553 3.594 20 0 FHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423286406 943465030 /nfs/dbraw/zinc/46/50/30/943465030.db2.gz GZYOMDPVAJAIMM-WBVHZDCISA-N 2 1 352.494 3.942 20 0 FHADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423297617 943475772 /nfs/dbraw/zinc/47/57/72/943475772.db2.gz LAYVMLHTAJORJJ-KBAYOESNSA-N 2 1 352.494 3.942 20 0 FHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423297615 943476117 /nfs/dbraw/zinc/47/61/17/943476117.db2.gz LAYVMLHTAJORJJ-CGTJXYLNSA-N 2 1 352.494 3.942 20 0 FHADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1F ZINC000423358210 943490354 /nfs/dbraw/zinc/49/03/54/943490354.db2.gz BKGWPYLKLSQVAK-YLJYHZDGSA-N 2 1 364.480 3.739 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000423381368 943496364 /nfs/dbraw/zinc/49/63/64/943496364.db2.gz ZNTKWWJTLHCXLN-ODKKXURNSA-N 2 1 364.480 3.595 20 0 FHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743363 943514245 /nfs/dbraw/zinc/51/42/45/943514245.db2.gz ITBOGRKRXCUVIQ-ROUUACIJSA-N 2 1 365.521 3.563 20 0 FHADMP COc1ccc(OCCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435631049 943528066 /nfs/dbraw/zinc/52/80/66/943528066.db2.gz ZNWQXODTQVTOPT-HXUWFJFHSA-N 2 1 369.509 3.503 20 0 FHADMP COc1ccc(OCCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435631049 943528070 /nfs/dbraw/zinc/52/80/70/943528070.db2.gz ZNWQXODTQVTOPT-HXUWFJFHSA-N 2 1 369.509 3.503 20 0 FHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423481724 943528264 /nfs/dbraw/zinc/52/82/64/943528264.db2.gz QLIYCYWKACSVMT-SJLPKXTDSA-N 2 1 365.855 3.853 20 0 FHADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423498056 943528796 /nfs/dbraw/zinc/52/87/96/943528796.db2.gz ZUGOIAMOGLURFI-AEFFLSMTSA-N 2 1 350.915 3.653 20 0 FHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1OC ZINC000423506415 943531629 /nfs/dbraw/zinc/53/16/29/943531629.db2.gz IVLRXACISSQFQC-FAFZWHIHSA-N 2 1 365.949 3.606 20 0 FHADMP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@@H]2C[NH2+]CCCO2)cs1 ZINC000423489306 943534828 /nfs/dbraw/zinc/53/48/28/943534828.db2.gz FWDHAVGMZYARQS-PKOBYXMFSA-N 2 1 364.942 3.962 20 0 FHADMP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@@H]2C[NH2+]CCCO2)cs1 ZINC000423489303 943535142 /nfs/dbraw/zinc/53/51/42/943535142.db2.gz FWDHAVGMZYARQS-HKUYNNGSSA-N 2 1 364.942 3.962 20 0 FHADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414749487 943538608 /nfs/dbraw/zinc/53/86/08/943538608.db2.gz KDYWHVODLZYBFS-FQEVSTJZSA-N 2 1 354.494 3.848 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000423509023 943540520 /nfs/dbraw/zinc/54/05/20/943540520.db2.gz LCTXMEFCAQWKAO-NNGSBXSVSA-N 2 1 355.448 3.572 20 0 FHADMP CCCCOc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423517354 943543423 /nfs/dbraw/zinc/54/34/23/943543423.db2.gz YAVFMMLDCZBCLF-PELRDEGISA-N 2 1 359.558 3.733 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cc1Cl ZINC000423523980 943545636 /nfs/dbraw/zinc/54/56/36/943545636.db2.gz WOKUOMHAASFWJF-JEYLPNPQSA-N 2 1 356.341 3.860 20 0 FHADMP Clc1ccc([C@@H](CC2CC2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423524867 943546737 /nfs/dbraw/zinc/54/67/37/943546737.db2.gz XKEFVUKYXBAJDU-XVAXZDLZSA-N 2 1 361.961 3.987 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCc1ccccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435693942 943560389 /nfs/dbraw/zinc/56/03/89/943560389.db2.gz WKILWFLQPAWNBG-NRFANRHFSA-N 2 1 366.553 3.788 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423573159 943560949 /nfs/dbraw/zinc/56/09/49/943560949.db2.gz YZRPHNJNJHEONE-QAPCUYQASA-N 2 1 350.478 3.566 20 0 FHADMP COc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000515204643 943565730 /nfs/dbraw/zinc/56/57/30/943565730.db2.gz JQYPWIVTCHVDCU-FOUBCARRSA-N 2 1 353.510 3.897 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000435769086 943600337 /nfs/dbraw/zinc/60/03/37/943600337.db2.gz UFGYMPROGNBTPQ-QFIPXVFZSA-N 2 1 352.526 3.884 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423729282 943605961 /nfs/dbraw/zinc/60/59/61/943605961.db2.gz NSCNCAVKCFMEFL-BWPNAZKDSA-N 2 1 357.542 3.576 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423904807 943643871 /nfs/dbraw/zinc/64/38/71/943643871.db2.gz ORBRQWSYDIFYSP-HBFSDRIKSA-N 2 1 365.521 3.737 20 0 FHADMP Cc1ccccc1-c1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414772496 943705741 /nfs/dbraw/zinc/70/57/41/943705741.db2.gz BXEBZYFUPMIRRH-OAQYLSRUSA-N 2 1 350.506 3.849 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCn1cccn1 ZINC000584827618 943716834 /nfs/dbraw/zinc/71/68/34/943716834.db2.gz UFWPRTQNPPYLSR-OAQYLSRUSA-N 2 1 354.542 3.944 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCCn1cccn1 ZINC000584827618 943716844 /nfs/dbraw/zinc/71/68/44/943716844.db2.gz UFWPRTQNPPYLSR-OAQYLSRUSA-N 2 1 354.542 3.944 20 0 FHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000584839581 943737617 /nfs/dbraw/zinc/73/76/17/943737617.db2.gz RCWBKOCHDGVUAY-XHSDSOJGSA-N 2 1 372.431 3.586 20 0 FHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000584839578 943737813 /nfs/dbraw/zinc/73/78/13/943737813.db2.gz RCWBKOCHDGVUAY-ARFHVFGLSA-N 2 1 372.431 3.586 20 0 FHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549475063 943741795 /nfs/dbraw/zinc/74/17/95/943741795.db2.gz CEINWNYWAPYGCX-QSFXBCCZSA-N 2 1 369.475 3.703 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424134853 943747649 /nfs/dbraw/zinc/74/76/49/943747649.db2.gz ODNUPRXKECTJDI-QUCCMNQESA-N 2 1 351.579 3.835 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424130203 943757854 /nfs/dbraw/zinc/75/78/54/943757854.db2.gz HCDGFBSCBKFUCY-ICSRJNTNSA-N 2 1 351.579 3.693 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC12CCOCC2 ZINC000414776898 943770014 /nfs/dbraw/zinc/77/00/14/943770014.db2.gz DTVSGTUACNGESS-LJQANCHMSA-N 2 1 352.478 3.666 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC12CCOCC2 ZINC000414776895 943770072 /nfs/dbraw/zinc/77/00/72/943770072.db2.gz DTVSGTUACNGESS-IBGZPJMESA-N 2 1 352.478 3.666 20 0 FHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000516885580 943793920 /nfs/dbraw/zinc/79/39/20/943793920.db2.gz WWNZUAFBGZPKFB-HXUWFJFHSA-N 2 1 357.542 3.523 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000424230664 943795286 /nfs/dbraw/zinc/79/52/86/943795286.db2.gz BGWJSXFLEGOCEW-FQEVSTJZSA-N 2 1 355.457 3.586 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000424230664 943795291 /nfs/dbraw/zinc/79/52/91/943795291.db2.gz BGWJSXFLEGOCEW-FQEVSTJZSA-N 2 1 355.457 3.586 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000515318331 943798049 /nfs/dbraw/zinc/79/80/49/943798049.db2.gz AUPLEZJFACFBNF-YWZLYKJASA-N 2 1 353.441 3.574 20 0 FHADMP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866934 943827189 /nfs/dbraw/zinc/82/71/89/943827189.db2.gz YGDHYMHUXWZUMU-OFNKIYASSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866934 943827203 /nfs/dbraw/zinc/82/72/03/943827203.db2.gz YGDHYMHUXWZUMU-OFNKIYASSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866934 943827218 /nfs/dbraw/zinc/82/72/18/943827218.db2.gz YGDHYMHUXWZUMU-OFNKIYASSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866934 943827226 /nfs/dbraw/zinc/82/72/26/943827226.db2.gz YGDHYMHUXWZUMU-OFNKIYASSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866934 943827235 /nfs/dbraw/zinc/82/72/35/943827235.db2.gz YGDHYMHUXWZUMU-OFNKIYASSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866932 943827706 /nfs/dbraw/zinc/82/77/06/943827706.db2.gz YGDHYMHUXWZUMU-NFBKMPQASA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866932 943827715 /nfs/dbraw/zinc/82/77/15/943827715.db2.gz YGDHYMHUXWZUMU-NFBKMPQASA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866932 943827718 /nfs/dbraw/zinc/82/77/18/943827718.db2.gz YGDHYMHUXWZUMU-NFBKMPQASA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866932 943827726 /nfs/dbraw/zinc/82/77/26/943827726.db2.gz YGDHYMHUXWZUMU-NFBKMPQASA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H](NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866932 943827730 /nfs/dbraw/zinc/82/77/30/943827730.db2.gz YGDHYMHUXWZUMU-NFBKMPQASA-N 2 1 351.538 3.619 20 0 FHADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2C1 ZINC000504824425 943829515 /nfs/dbraw/zinc/82/95/15/943829515.db2.gz CGSSCNVUYZWHIZ-UHFFFAOYSA-N 2 1 363.505 3.765 20 0 FHADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2C1 ZINC000504824425 943829517 /nfs/dbraw/zinc/82/95/17/943829517.db2.gz CGSSCNVUYZWHIZ-UHFFFAOYSA-N 2 1 363.505 3.765 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000424281591 943835072 /nfs/dbraw/zinc/83/50/72/943835072.db2.gz JJVJJHJMLRYZMO-CQSZACIVSA-N 2 1 363.889 3.535 20 0 FHADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424284695 943837061 /nfs/dbraw/zinc/83/70/61/943837061.db2.gz DPPLXYNHDNNOCC-KRWDZBQOSA-N 2 1 351.494 3.632 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414906452 943856811 /nfs/dbraw/zinc/85/68/11/943856811.db2.gz PQXYXVKLQMPHOL-IEBWSBKVSA-N 2 1 369.513 3.694 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424369311 943882119 /nfs/dbraw/zinc/88/21/19/943882119.db2.gz BECPGOHMBIJAEX-OAHLLOKOSA-N 2 1 358.917 3.798 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424380146 943889366 /nfs/dbraw/zinc/88/93/66/943889366.db2.gz PMWNVWDCXDJTSK-QGZVFWFLSA-N 2 1 351.494 3.721 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000424420266 943897986 /nfs/dbraw/zinc/89/79/86/943897986.db2.gz QDMZWAWGJLBNMI-UYAOXDASSA-N 2 1 358.530 3.843 20 0 FHADMP CCN(C(=O)Nc1cc(C)cc(C[NH3+])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424426112 943922163 /nfs/dbraw/zinc/92/21/63/943922163.db2.gz LJPSJECIULDUEH-OAQYLSRUSA-N 2 1 366.509 3.582 20 0 FHADMP Cc1cn2c(n1)CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676261 943932185 /nfs/dbraw/zinc/93/21/85/943932185.db2.gz FRUWXFQJJFDVBT-NYLDSWQDSA-N 2 1 352.526 3.539 20 0 FHADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790526 943938939 /nfs/dbraw/zinc/93/89/39/943938939.db2.gz ZZIOKPACNPQNKW-CABCVRRESA-N 2 1 360.395 3.588 20 0 FHADMP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414793876 943953157 /nfs/dbraw/zinc/95/31/57/943953157.db2.gz UREROQDCONMUQA-UHFFFAOYSA-N 2 1 350.441 3.520 20 0 FHADMP C[C@@H]1C[C@@H](NCc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959191 944009930 /nfs/dbraw/zinc/00/99/30/944009930.db2.gz LNJZKYQSSJUJTD-NQIIRXRSSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CCN1Cc1ccccc1 ZINC000417959191 944009936 /nfs/dbraw/zinc/00/99/36/944009936.db2.gz LNJZKYQSSJUJTD-NQIIRXRSSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417959191 944009937 /nfs/dbraw/zinc/00/99/37/944009937.db2.gz LNJZKYQSSJUJTD-NQIIRXRSSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959191 944009944 /nfs/dbraw/zinc/00/99/44/944009944.db2.gz LNJZKYQSSJUJTD-NQIIRXRSSA-N 2 1 365.521 3.531 20 0 FHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000505136574 944065644 /nfs/dbraw/zinc/06/56/44/944065644.db2.gz SKQZMFZIXGIEEI-LEWJYISDSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000505136574 944065652 /nfs/dbraw/zinc/06/56/52/944065652.db2.gz SKQZMFZIXGIEEI-LEWJYISDSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000505136574 944065661 /nfs/dbraw/zinc/06/56/61/944065661.db2.gz SKQZMFZIXGIEEI-LEWJYISDSA-N 2 1 359.558 3.524 20 0 FHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000120147525 944096086 /nfs/dbraw/zinc/09/60/86/944096086.db2.gz LZFQBHPPSFHIMT-QGZVFWFLSA-N 2 1 351.494 3.960 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000414812280 944105206 /nfs/dbraw/zinc/10/52/06/944105206.db2.gz QYZDGEUDSFYWPQ-QGZVFWFLSA-N 3 1 355.501 3.642 20 0 FHADMP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000414812280 944105207 /nfs/dbraw/zinc/10/52/07/944105207.db2.gz QYZDGEUDSFYWPQ-QGZVFWFLSA-N 2 1 355.501 3.642 20 0 FHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436286116 944164723 /nfs/dbraw/zinc/16/47/23/944164723.db2.gz ARKDZTUFELEFNV-MOMVYJMYSA-N 2 1 350.547 3.885 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436293355 944178990 /nfs/dbraw/zinc/17/89/90/944178990.db2.gz MJZYSIOUEZIURE-UEVCKROQSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293355 944178994 /nfs/dbraw/zinc/17/89/94/944178994.db2.gz MJZYSIOUEZIURE-UEVCKROQSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293355 944178998 /nfs/dbraw/zinc/17/89/98/944178998.db2.gz MJZYSIOUEZIURE-UEVCKROQSA-N 2 1 370.585 3.679 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H]1C ZINC000436296658 944181020 /nfs/dbraw/zinc/18/10/20/944181020.db2.gz SGHABJGARPSJSR-LCLWPZTBSA-N 2 1 350.547 3.741 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000414916972 944188131 /nfs/dbraw/zinc/18/81/31/944188131.db2.gz QOUCZDLTVUJTOC-INIZCTEOSA-N 2 1 357.502 3.694 20 0 FHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1)C(C)C ZINC000101627233 944286027 /nfs/dbraw/zinc/28/60/27/944286027.db2.gz OBVCBKNTDIWMBP-LJQANCHMSA-N 2 1 357.498 3.543 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1)C(C)C ZINC000101627233 944286037 /nfs/dbraw/zinc/28/60/37/944286037.db2.gz OBVCBKNTDIWMBP-LJQANCHMSA-N 2 1 357.498 3.543 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397953583 944308289 /nfs/dbraw/zinc/30/82/89/944308289.db2.gz ASEBDTQBAZIHRB-FYZZASKESA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397953583 944308299 /nfs/dbraw/zinc/30/82/99/944308299.db2.gz ASEBDTQBAZIHRB-FYZZASKESA-N 2 1 358.526 3.609 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000439081346 944321571 /nfs/dbraw/zinc/32/15/71/944321571.db2.gz VRXNMKWXGCWALT-KRWDZBQOSA-N 2 1 369.509 3.826 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000439081346 944321578 /nfs/dbraw/zinc/32/15/78/944321578.db2.gz VRXNMKWXGCWALT-KRWDZBQOSA-N 2 1 369.509 3.826 20 0 FHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414980407 944322973 /nfs/dbraw/zinc/32/29/73/944322973.db2.gz WPISHQOKVKJUSC-CYBMUJFWSA-N 2 1 365.237 3.946 20 0 FHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000550180375 944359880 /nfs/dbraw/zinc/35/98/80/944359880.db2.gz BLGIUZJJAAEXQT-UTKZUKDTSA-N 2 1 362.477 3.632 20 0 FHADMP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000518426208 944370759 /nfs/dbraw/zinc/37/07/59/944370759.db2.gz CBHPDSZNSOXWKC-RBUKOAKNSA-N 2 1 361.549 3.685 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2c(Br)cccn12 ZINC001167754598 944380906 /nfs/dbraw/zinc/38/09/06/944380906.db2.gz ZPGXZQNEHHXNMB-CYBMUJFWSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1c[nH+]c2c(Br)cccn12 ZINC001167754598 944380915 /nfs/dbraw/zinc/38/09/15/944380915.db2.gz ZPGXZQNEHHXNMB-CYBMUJFWSA-N 2 1 351.292 3.773 20 0 FHADMP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1OC ZINC000517537469 944382969 /nfs/dbraw/zinc/38/29/69/944382969.db2.gz SYJKDEGZNOXXRK-GJZGRUSLSA-N 2 1 354.922 3.815 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000518461153 944401885 /nfs/dbraw/zinc/40/18/85/944401885.db2.gz YADHPTWNYRDJIN-LJQANCHMSA-N 2 1 372.557 3.711 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000550200155 944402006 /nfs/dbraw/zinc/40/20/06/944402006.db2.gz AESQDEBXHKPRFB-CQSZACIVSA-N 2 1 355.295 3.752 20 0 FHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cc4ccccc4n(C)c3=O)CC2)C1 ZINC000426300792 944411201 /nfs/dbraw/zinc/41/12/01/944411201.db2.gz JJIJXLVHFAPZNV-DYESRHJHSA-N 2 1 367.537 3.671 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1)C1CC1 ZINC000150738173 944445609 /nfs/dbraw/zinc/44/56/09/944445609.db2.gz ZCLMBYHURZKUEA-NRFANRHFSA-N 2 1 369.553 3.761 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426321630 944451479 /nfs/dbraw/zinc/45/14/79/944451479.db2.gz DTEQSIBLKOBRRE-VAMGGRTRSA-N 2 1 353.510 3.936 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426321630 944451485 /nfs/dbraw/zinc/45/14/85/944451485.db2.gz DTEQSIBLKOBRRE-VAMGGRTRSA-N 2 1 353.510 3.936 20 0 FHADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000364372334 944492218 /nfs/dbraw/zinc/49/22/18/944492218.db2.gz CFBWRIBMPGOBKH-IBGZPJMESA-N 2 1 351.498 3.547 20 0 FHADMP CC(C)[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000517688941 944500918 /nfs/dbraw/zinc/50/09/18/944500918.db2.gz MOGNXLYJCYWETN-NQIIRXRSSA-N 2 1 373.541 3.529 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000414888827 944501379 /nfs/dbraw/zinc/50/13/79/944501379.db2.gz YENMGGQIWCCPJH-INIZCTEOSA-N 2 1 374.916 3.530 20 0 FHADMP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000516117324 944502576 /nfs/dbraw/zinc/50/25/76/944502576.db2.gz ASZYNRFRSJXFDC-OAHLLOKOSA-N 2 1 367.331 3.621 20 0 FHADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994236 944520141 /nfs/dbraw/zinc/52/01/41/944520141.db2.gz UPAHVLWLGQELQC-BLLLJJGKSA-N 2 1 351.288 3.697 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000398156359 944530039 /nfs/dbraw/zinc/53/00/39/944530039.db2.gz QUYWCLKWRYURLN-LEOXJPRUSA-N 2 1 350.506 3.801 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC000426356092 944544705 /nfs/dbraw/zinc/54/47/05/944544705.db2.gz HBHIYFATYDRWOK-LNLFQRSKSA-N 2 1 360.542 3.965 20 0 FHADMP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000653377581 944638315 /nfs/dbraw/zinc/63/83/15/944638315.db2.gz NGQFLPAKTHSXHV-UHFFFAOYSA-N 2 1 363.465 3.560 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC[C@@H]3C(C)C)CC2)cs1 ZINC000925033087 944665033 /nfs/dbraw/zinc/66/50/33/944665033.db2.gz YUNJILUQBQFRBL-MOPGFXCFSA-N 2 1 365.587 3.568 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414933793 944724953 /nfs/dbraw/zinc/72/49/53/944724953.db2.gz UUFOZZDTZOUTMD-CJNGLKHVSA-N 2 1 371.447 3.790 20 0 FHADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CC(=O)N(CC)CC)CC2 ZINC001280170188 944771624 /nfs/dbraw/zinc/77/16/24/944771624.db2.gz SULOGZKOOZWTOU-HXUWFJFHSA-N 2 1 365.606 3.859 20 0 FHADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000366697947 944793003 /nfs/dbraw/zinc/79/30/03/944793003.db2.gz RCLJMJNHXXIQIO-CVAIRZPRSA-N 2 1 373.566 3.984 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836223 944854905 /nfs/dbraw/zinc/85/49/05/944854905.db2.gz UTUYVLSCCGYBJQ-PZJWPPBQSA-N 2 1 371.569 3.525 20 0 FHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)ccc21 ZINC000426083802 944862926 /nfs/dbraw/zinc/86/29/26/944862926.db2.gz IGNJPDNAEJBJKL-OAQYLSRUSA-N 2 1 368.525 3.548 20 0 FHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000439686979 944880071 /nfs/dbraw/zinc/88/00/71/944880071.db2.gz KLVGJBYMGMCVEE-JOCHJYFZSA-N 2 1 371.569 3.525 20 0 FHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010703 944928561 /nfs/dbraw/zinc/92/85/61/944928561.db2.gz QFLCNIYNYZCWOR-GOEBONIOSA-N 2 1 360.395 3.683 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010703 944928570 /nfs/dbraw/zinc/92/85/70/944928570.db2.gz QFLCNIYNYZCWOR-GOEBONIOSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010703 944928579 /nfs/dbraw/zinc/92/85/79/944928579.db2.gz QFLCNIYNYZCWOR-GOEBONIOSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010703 944928586 /nfs/dbraw/zinc/92/85/86/944928586.db2.gz QFLCNIYNYZCWOR-GOEBONIOSA-N 2 1 360.395 3.683 20 0 FHADMP CCCC[C@@H](C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414895965 944953898 /nfs/dbraw/zinc/95/38/98/944953898.db2.gz ADBPZVPFAIRMCB-SFHVURJKSA-N 2 1 357.502 3.694 20 0 FHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccccc1 ZINC000414952804 945027713 /nfs/dbraw/zinc/02/77/13/945027713.db2.gz QZHKXIUWJHXQDM-YLJYHZDGSA-N 2 1 354.494 3.894 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000414898594 945045905 /nfs/dbraw/zinc/04/59/05/945045905.db2.gz GLRFMPWIIQNSNH-UHFFFAOYSA-N 2 1 369.513 3.838 20 0 FHADMP COC(=O)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1c1ccccc1 ZINC001167986532 945385723 /nfs/dbraw/zinc/38/57/23/945385723.db2.gz GOCWJMTYSGLSOF-UWFUTDFQSA-N 2 1 368.521 3.628 20 0 FHADMP COC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001167986532 945385736 /nfs/dbraw/zinc/38/57/36/945385736.db2.gz GOCWJMTYSGLSOF-UWFUTDFQSA-N 2 1 368.521 3.628 20 0 FHADMP COC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001167986532 945385748 /nfs/dbraw/zinc/38/57/48/945385748.db2.gz GOCWJMTYSGLSOF-UWFUTDFQSA-N 2 1 368.521 3.628 20 0 FHADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427469963 945400410 /nfs/dbraw/zinc/40/04/10/945400410.db2.gz OXCGDEFGMYOBCF-CTNGQTDRSA-N 2 1 371.569 3.525 20 0 FHADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2)CC1 ZINC000415082203 945596987 /nfs/dbraw/zinc/59/69/87/945596987.db2.gz LOKUIZXWWSVLMJ-FCHUYYIVSA-N 2 1 364.537 3.901 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714145 945746556 /nfs/dbraw/zinc/74/65/56/945746556.db2.gz RGXOZWLEGJYABA-WIYYLYMNSA-N 2 1 353.510 3.636 20 0 FHADMP c1ccc(OC2CCOCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167970398 945777816 /nfs/dbraw/zinc/77/78/16/945777816.db2.gz JIMPNZZYOMWRJZ-SEJPIABJSA-N 2 1 370.537 3.739 20 0 FHADMP c1ccc(OC2CCOCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167970398 945777824 /nfs/dbraw/zinc/77/78/24/945777824.db2.gz JIMPNZZYOMWRJZ-SEJPIABJSA-N 2 1 370.537 3.739 20 0 FHADMP COc1ccccc1OCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110915606 945782414 /nfs/dbraw/zinc/78/24/14/945782414.db2.gz VUNMHTQFAUIICI-UHFFFAOYSA-N 2 1 368.521 3.918 20 0 FHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065968 945796237 /nfs/dbraw/zinc/79/62/37/945796237.db2.gz ZJERXXVHNZHNHH-KLACQSGDSA-N 2 1 368.443 3.832 20 0 FHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444090327 945839282 /nfs/dbraw/zinc/83/92/82/945839282.db2.gz RHFOGMSVDXAWIB-MMXRJIGESA-N 2 1 371.569 3.759 20 0 FHADMP C[C@@H]1CC([N@H+](CCO)Cc2cccs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050465 945883296 /nfs/dbraw/zinc/88/32/96/945883296.db2.gz BAQJYODRDKIKGL-QZTJIDSGSA-N 2 1 358.551 3.984 20 0 FHADMP C[C@@H]1CC([N@@H+](CCO)Cc2cccs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168050465 945883301 /nfs/dbraw/zinc/88/33/01/945883301.db2.gz BAQJYODRDKIKGL-QZTJIDSGSA-N 2 1 358.551 3.984 20 0 FHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCN(c2cc[nH+]cc2)CC1 ZINC000301788708 945966423 /nfs/dbraw/zinc/96/64/23/945966423.db2.gz MZDYYYWBTJGSCT-UHFFFAOYSA-N 2 1 358.367 3.975 20 0 FHADMP COc1ccc(C[NH+]2CCC(CNc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301867368 946011370 /nfs/dbraw/zinc/01/13/70/946011370.db2.gz HQAHFVGSBVMZMZ-UHFFFAOYSA-N 2 1 350.466 3.896 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825197 946075139 /nfs/dbraw/zinc/07/51/39/946075139.db2.gz FJCBFQKSRBRKSG-AVRDEDQJSA-N 2 1 369.553 3.724 20 0 FHADMP Cc1ccc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4Cc3ccccc3)c2c1 ZINC000302225775 946184131 /nfs/dbraw/zinc/18/41/31/946184131.db2.gz OYNYQBMHCTVTSI-PKTZIBPZSA-N 2 1 359.473 3.633 20 0 FHADMP Cc1ccc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4Cc3ccccc3)c2c1 ZINC000302225775 946184138 /nfs/dbraw/zinc/18/41/38/946184138.db2.gz OYNYQBMHCTVTSI-PKTZIBPZSA-N 2 1 359.473 3.633 20 0 FHADMP C[C@H](O)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1F ZINC000651893005 946187687 /nfs/dbraw/zinc/18/76/87/946187687.db2.gz XHPWNVCIRCFZJF-HTAPYJJXSA-N 2 1 372.484 3.512 20 0 FHADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000302504253 946236945 /nfs/dbraw/zinc/23/69/45/946236945.db2.gz PSNQGVRENXBFQP-CYBMUJFWSA-N 2 1 367.415 3.535 20 0 FHADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[N@H+]1CC(C)(C)O ZINC000302504253 946236955 /nfs/dbraw/zinc/23/69/55/946236955.db2.gz PSNQGVRENXBFQP-CYBMUJFWSA-N 2 1 367.415 3.535 20 0 FHADMP Fc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c2c(c1)COCO2 ZINC000045944272 946261326 /nfs/dbraw/zinc/26/13/26/946261326.db2.gz XHGKNXSXDVILIY-UHFFFAOYSA-N 2 1 362.489 3.780 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1cccc2ccccc21 ZINC000441200124 946300396 /nfs/dbraw/zinc/30/03/96/946300396.db2.gz OCADWBLYQNQVTK-MZYLBHOOSA-N 2 1 352.522 3.956 20 0 FHADMP Cc1cc(OCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C(C)C ZINC000441221383 946311983 /nfs/dbraw/zinc/31/19/83/946311983.db2.gz ACWWHADSMXPMMN-VLCRHTCISA-N 2 1 360.542 3.681 20 0 FHADMP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248445677 946344760 /nfs/dbraw/zinc/34/47/60/946344760.db2.gz CFTSCLKORCXRNO-IRXDYDNUSA-N 2 1 367.331 3.607 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1(C)C ZINC000441335505 946442512 /nfs/dbraw/zinc/44/25/12/946442512.db2.gz QLHPENYYSDKMBX-UHFFFAOYSA-N 2 1 353.510 3.595 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475494242 946443751 /nfs/dbraw/zinc/44/37/51/946443751.db2.gz IRRUTZCMHMFRMM-SPEDKVCISA-N 2 1 369.553 3.550 20 0 FHADMP CCOc1c(Cl)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475136309 946452683 /nfs/dbraw/zinc/45/26/83/946452683.db2.gz OQNWHDYKKMRARC-UHFFFAOYSA-N 2 1 352.906 3.808 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475136309 946452691 /nfs/dbraw/zinc/45/26/91/946452691.db2.gz OQNWHDYKKMRARC-UHFFFAOYSA-N 2 1 352.906 3.808 20 0 FHADMP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359566 946484905 /nfs/dbraw/zinc/48/49/05/946484905.db2.gz RRGXITAVODVJKX-FGZHOGPDSA-N 2 1 371.569 3.552 20 0 FHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(I)cc1 ZINC000441383089 946506668 /nfs/dbraw/zinc/50/66/68/946506668.db2.gz SHMYPZVYJJRDHM-INIZCTEOSA-N 2 1 372.294 3.597 20 0 FHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(I)cc1 ZINC000441383089 946506675 /nfs/dbraw/zinc/50/66/75/946506675.db2.gz SHMYPZVYJJRDHM-INIZCTEOSA-N 2 1 372.294 3.597 20 0 FHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(I)cc1 ZINC000441383089 946506681 /nfs/dbraw/zinc/50/66/81/946506681.db2.gz SHMYPZVYJJRDHM-INIZCTEOSA-N 2 1 372.294 3.597 20 0 FHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(I)cc1 ZINC000441383089 946506686 /nfs/dbraw/zinc/50/66/86/946506686.db2.gz SHMYPZVYJJRDHM-INIZCTEOSA-N 2 1 372.294 3.597 20 0 FHADMP C[C@@H]1C[C@@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168057487 946551813 /nfs/dbraw/zinc/55/18/13/946551813.db2.gz NMMOCEIHVZQRQX-NPDDRXJXSA-N 2 1 364.537 3.692 20 0 FHADMP CCC(=O)N(C)C1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168057372 946558139 /nfs/dbraw/zinc/55/81/39/946558139.db2.gz MQZHPOMRHMQTRH-HATOLVCRSA-N 2 1 371.569 3.761 20 0 FHADMP CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057918 946592345 /nfs/dbraw/zinc/59/23/45/946592345.db2.gz ONICNEOAJOLMGU-IYRWYFENSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@@H]([N@@H+](C(C)C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057918 946592352 /nfs/dbraw/zinc/59/23/52/946592352.db2.gz ONICNEOAJOLMGU-IYRWYFENSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057918 946592362 /nfs/dbraw/zinc/59/23/62/946592362.db2.gz ONICNEOAJOLMGU-IYRWYFENSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@@H]([NH+](C(C)C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057918 946592373 /nfs/dbraw/zinc/59/23/73/946592373.db2.gz ONICNEOAJOLMGU-IYRWYFENSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@@H]([NH+](C(C)C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057918 946592384 /nfs/dbraw/zinc/59/23/84/946592384.db2.gz ONICNEOAJOLMGU-IYRWYFENSA-N 2 1 371.569 3.759 20 0 FHADMP Cc1noc(C2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001168058726 946625315 /nfs/dbraw/zinc/62/53/15/946625315.db2.gz BYGVMTXVVKFXCJ-IAGOWNOFSA-N 2 1 368.525 3.999 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000536266526 946661384 /nfs/dbraw/zinc/66/13/84/946661384.db2.gz FEQFLCQUADHVFC-VSKRKVRLSA-N 2 1 365.521 3.631 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561370 946662124 /nfs/dbraw/zinc/66/21/24/946662124.db2.gz YFBQAYNGVXRIDZ-JNVBVNAASA-N 3 1 367.581 3.894 20 0 FHADMP C[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059327 946670430 /nfs/dbraw/zinc/67/04/30/946670430.db2.gz DNFSGCUWVCAEDL-IRMYBRCSSA-N 2 1 355.570 3.988 20 0 FHADMP C[N@@H+](CCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000894964813 946710181 /nfs/dbraw/zinc/71/01/81/946710181.db2.gz ASWDWAJOXRZFKP-JLYLLQBASA-N 2 1 365.562 3.629 20 0 FHADMP COC(=O)CC[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059783 946746783 /nfs/dbraw/zinc/74/67/83/946746783.db2.gz HDZOZIKXXODVNW-QWFCFKBJSA-N 2 1 358.526 3.703 20 0 FHADMP CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000665821484 946760071 /nfs/dbraw/zinc/76/00/71/946760071.db2.gz NRCHZLYYAJUOMR-NRFANRHFSA-N 2 1 372.557 3.663 20 0 FHADMP C[C@H]1CC([N@H+]2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168060271 946780252 /nfs/dbraw/zinc/78/02/52/946780252.db2.gz WGHITPSXNXLXIN-IPJJNNNSSA-N 2 1 365.521 3.976 20 0 FHADMP COc1cc2c(c(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000475282268 946818574 /nfs/dbraw/zinc/81/85/74/946818574.db2.gz FQKXVJNFDPQVSV-HKUYNNGSSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000475282268 946818577 /nfs/dbraw/zinc/81/85/77/946818577.db2.gz FQKXVJNFDPQVSV-HKUYNNGSSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000475282268 946818584 /nfs/dbraw/zinc/81/85/84/946818584.db2.gz FQKXVJNFDPQVSV-HKUYNNGSSA-N 2 1 366.505 3.630 20 0 FHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475298302 946836022 /nfs/dbraw/zinc/83/60/22/946836022.db2.gz ZJXWFLBUDAEQTB-FQEVSTJZSA-N 2 1 371.569 3.525 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647976649 946889181 /nfs/dbraw/zinc/88/91/81/946889181.db2.gz RNWHXJAERJSXIR-ZWKOTPCHSA-N 2 1 355.482 3.562 20 0 FHADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353500 946903961 /nfs/dbraw/zinc/90/39/61/946903961.db2.gz MBFOGNAOKHKEPJ-DYESRHJHSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353500 946903964 /nfs/dbraw/zinc/90/39/64/946903964.db2.gz MBFOGNAOKHKEPJ-DYESRHJHSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000652355500 946916263 /nfs/dbraw/zinc/91/62/63/946916263.db2.gz ZKNDNEVGIZOJGZ-UWJYYQICSA-N 2 1 351.494 3.888 20 0 FHADMP COCC[NH+]1CCC(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000124090305 946951664 /nfs/dbraw/zinc/95/16/64/946951664.db2.gz LMJJAPKYQFWKOK-UHFFFAOYSA-N 2 1 353.388 3.776 20 0 FHADMP COCC[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000116260336 946951670 /nfs/dbraw/zinc/95/16/70/946951670.db2.gz BISFAEUKUXDSKK-UHFFFAOYSA-N 2 1 364.287 3.520 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000164654641 946965513 /nfs/dbraw/zinc/96/55/13/946965513.db2.gz GGWGCSHRHGPHDD-UHFFFAOYSA-N 2 1 360.933 3.879 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062625 946973859 /nfs/dbraw/zinc/97/38/59/946973859.db2.gz KRCSZLOGMONKNP-VTYHHJSWSA-N 3 1 355.570 3.846 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062625 946973861 /nfs/dbraw/zinc/97/38/61/946973861.db2.gz KRCSZLOGMONKNP-VTYHHJSWSA-N 3 1 355.570 3.846 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062625 946973863 /nfs/dbraw/zinc/97/38/63/946973863.db2.gz KRCSZLOGMONKNP-VTYHHJSWSA-N 3 1 355.570 3.846 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168062625 946973866 /nfs/dbraw/zinc/97/38/66/946973866.db2.gz KRCSZLOGMONKNP-VTYHHJSWSA-N 2 1 355.570 3.846 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168062625 946973867 /nfs/dbraw/zinc/97/38/67/946973867.db2.gz KRCSZLOGMONKNP-VTYHHJSWSA-N 2 1 355.570 3.846 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978838 947022984 /nfs/dbraw/zinc/02/29/84/947022984.db2.gz ZCYFWNWTTIOVGO-IRXDYDNUSA-N 2 1 374.916 3.644 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCC[NH+]4CCCCC4)CC[C@H]32)cc1 ZINC000444601910 947028124 /nfs/dbraw/zinc/02/81/24/947028124.db2.gz GENVYLGOAHLVSB-XZOQPEGZSA-N 2 1 355.570 3.849 20 0 FHADMP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC001168063884 947033528 /nfs/dbraw/zinc/03/35/28/947033528.db2.gz NSHRARXDXCAOPM-RYLXDESZSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC001168063884 947033538 /nfs/dbraw/zinc/03/35/38/947033538.db2.gz NSHRARXDXCAOPM-RYLXDESZSA-N 2 1 358.526 3.702 20 0 FHADMP Cc1noc([C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064609 947066804 /nfs/dbraw/zinc/06/68/04/947066804.db2.gz QRIFZMCXXRUBGW-TXPKVOOTSA-N 2 1 354.498 3.609 20 0 FHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000192932071 947114661 /nfs/dbraw/zinc/11/46/61/947114661.db2.gz ARACWDNJWBCAQQ-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000126176444 947408537 /nfs/dbraw/zinc/40/85/37/947408537.db2.gz XPDHBYWUXPCWKN-MRXNPFEDSA-N 2 1 350.441 3.961 20 0 FHADMP CC(C)[N@H+]1CCc2nc(CNc3[nH+]ccn3-c3ccccc3)sc2C1 ZINC000508516506 947445773 /nfs/dbraw/zinc/44/57/73/947445773.db2.gz OSMWKJPIQLBKJM-UHFFFAOYSA-N 2 1 353.495 3.707 20 0 FHADMP CC1(C)C[N@@H+](CCOCC(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663218721 947446706 /nfs/dbraw/zinc/44/67/06/947446706.db2.gz WIORYVWDRBSUMF-HXUWFJFHSA-N 2 1 366.496 3.891 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000523664049 947492959 /nfs/dbraw/zinc/49/29/59/947492959.db2.gz MMWNJHICNPYNEN-UHFFFAOYSA-N 2 1 359.558 3.865 20 0 FHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000523740936 947562124 /nfs/dbraw/zinc/56/21/24/947562124.db2.gz OCNFTIWAOKKFPA-UHFFFAOYSA-N 2 1 359.489 3.511 20 0 FHADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251642 947673878 /nfs/dbraw/zinc/67/38/78/947673878.db2.gz HBEKNYPFGFYTSC-DYVFJYSZSA-N 2 1 354.416 3.752 20 0 FHADMP c1ccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC2CCOCC2)cc1 ZINC000662254766 947675638 /nfs/dbraw/zinc/67/56/38/947675638.db2.gz LHIIQMVKYKQUSA-UHFFFAOYSA-N 2 1 350.506 3.761 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285148 947703564 /nfs/dbraw/zinc/70/35/64/947703564.db2.gz YBIOIWUZGBOZSB-NJAFHUGGSA-N 2 1 354.947 3.793 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286946 947710402 /nfs/dbraw/zinc/71/04/02/947710402.db2.gz URDNNWXVNCLWDK-KYJSFNMBSA-N 2 1 354.947 3.650 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293298 947716041 /nfs/dbraw/zinc/71/60/41/947716041.db2.gz GCVRXOFIEHNVPW-LJQANCHMSA-N 2 1 357.542 3.769 20 0 FHADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296011 947722203 /nfs/dbraw/zinc/72/22/03/947722203.db2.gz JVRNCTUSSNTEMS-QAPCUYQASA-N 2 1 372.488 3.957 20 0 FHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297271 947723594 /nfs/dbraw/zinc/72/35/94/947723594.db2.gz OXZVURNODCHIOC-DYESRHJHSA-N 2 1 371.569 3.850 20 0 FHADMP Clc1ccc([C@@H]2c3ccsc3CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310415 947736477 /nfs/dbraw/zinc/73/64/77/947736477.db2.gz KBWHRHKHSUVLHX-VQIMIIECSA-N 2 1 374.937 3.870 20 0 FHADMP Clc1ccc([C@@H]2c3ccsc3CC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310415 947736481 /nfs/dbraw/zinc/73/64/81/947736481.db2.gz KBWHRHKHSUVLHX-VQIMIIECSA-N 2 1 374.937 3.870 20 0 FHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313197 947738662 /nfs/dbraw/zinc/73/86/62/947738662.db2.gz GFXKBFZJEVLSCN-GPMSIDNRSA-N 2 1 365.949 3.699 20 0 FHADMP CCc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327836 947758641 /nfs/dbraw/zinc/75/86/41/947758641.db2.gz WSCFJVIXTIIBHE-UHFFFAOYSA-N 2 1 352.526 3.819 20 0 FHADMP Cc1ccccc1CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327811 947758730 /nfs/dbraw/zinc/75/87/30/947758730.db2.gz VVQYTOAUIBYVAA-UHFFFAOYSA-N 2 1 366.553 3.997 20 0 FHADMP CC[C@H](CC(F)F)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326829 947758770 /nfs/dbraw/zinc/75/87/70/947758770.db2.gz DBAMCZXAZIDHIU-CQSZACIVSA-N 2 1 354.489 3.738 20 0 FHADMP COc1sc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000663346956 947814965 /nfs/dbraw/zinc/81/49/65/947814965.db2.gz YOKVWQARDLQCOL-CYBMUJFWSA-N 2 1 373.360 3.731 20 0 FHADMP COc1sc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663346956 947814974 /nfs/dbraw/zinc/81/49/74/947814974.db2.gz YOKVWQARDLQCOL-CYBMUJFWSA-N 2 1 373.360 3.731 20 0 FHADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1OC(F)F ZINC000663346632 947815745 /nfs/dbraw/zinc/81/57/45/947815745.db2.gz BKKBFVQTIUJFGF-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1OC(F)F ZINC000663346632 947815750 /nfs/dbraw/zinc/81/57/50/947815750.db2.gz BKKBFVQTIUJFGF-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347301 947816061 /nfs/dbraw/zinc/81/60/61/947816061.db2.gz JMVQGERCCRHPFQ-JOCHJYFZSA-N 2 1 366.553 3.760 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347301 947816067 /nfs/dbraw/zinc/81/60/67/947816067.db2.gz JMVQGERCCRHPFQ-JOCHJYFZSA-N 2 1 366.553 3.760 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662463719 947835063 /nfs/dbraw/zinc/83/50/63/947835063.db2.gz GFQMIAPDVIALIC-OAQYLSRUSA-N 2 1 371.569 3.649 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663362981 947852250 /nfs/dbraw/zinc/85/22/50/947852250.db2.gz DFGIHXIGSQGZCI-OAQYLSRUSA-N 2 1 352.526 3.915 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662502348 947876076 /nfs/dbraw/zinc/87/60/76/947876076.db2.gz JYADZIBJNUQCQQ-FKBYEOEOSA-N 2 1 371.569 3.511 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662526930 947896438 /nfs/dbraw/zinc/89/64/38/947896438.db2.gz NKDXBQRTCOLNNL-KJNZLNQQSA-N 2 1 369.553 3.543 20 0 FHADMP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925770631 947941522 /nfs/dbraw/zinc/94/15/22/947941522.db2.gz JQCHPWDLCNIDFT-WKDRNLAYSA-N 2 1 352.453 3.858 20 0 FHADMP COc1cc2cc[nH+]c(N3CCC(C[N@@H+](C)C(C)C)CC3)c2cc1OC ZINC000663405205 947967963 /nfs/dbraw/zinc/96/79/63/947967963.db2.gz SZAREXMEHASELT-UHFFFAOYSA-N 2 1 357.498 3.809 20 0 FHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469842 948065539 /nfs/dbraw/zinc/06/55/39/948065539.db2.gz REACMSBMBVQBIB-UXHICEINSA-N 2 1 360.542 3.737 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472206 948068181 /nfs/dbraw/zinc/06/81/81/948068181.db2.gz ZOCRYXRLRONCIC-RXVVDRJESA-N 2 1 352.526 3.704 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472206 948068192 /nfs/dbraw/zinc/06/81/92/948068192.db2.gz ZOCRYXRLRONCIC-RXVVDRJESA-N 2 1 352.526 3.704 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472206 948068203 /nfs/dbraw/zinc/06/82/03/948068203.db2.gz ZOCRYXRLRONCIC-RXVVDRJESA-N 2 1 352.526 3.704 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001167822931 948096410 /nfs/dbraw/zinc/09/64/10/948096410.db2.gz BTSIECAXFZJWBS-LJQANCHMSA-N 2 1 358.574 3.933 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001167825066 948117951 /nfs/dbraw/zinc/11/79/51/948117951.db2.gz JSCSMGSQJYSEOL-SFHVURJKSA-N 2 1 350.551 3.524 20 0 FHADMP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2ccc(F)cc2)CC1 ZINC000643538266 948196876 /nfs/dbraw/zinc/19/68/76/948196876.db2.gz CVEDVVVECAYDCW-ACRUOGEOSA-N 2 1 365.512 3.669 20 0 FHADMP COc1cccc(OC)c1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512017337 948199623 /nfs/dbraw/zinc/19/96/23/948199623.db2.gz VGGNLAJIIRMZRJ-YWZLYKJASA-N 2 1 360.523 3.938 20 0 FHADMP Cc1ccc(-c2ncc(C[NH2+]CCCN3CCCO[C@@H](C)C3)s2)cc1 ZINC000432361604 948216316 /nfs/dbraw/zinc/21/63/16/948216316.db2.gz DLZIKWCPKVZVIF-KRWDZBQOSA-N 2 1 359.539 3.709 20 0 FHADMP Cc1ccc(-c2ncc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)s2)cc1 ZINC000432361604 948216322 /nfs/dbraw/zinc/21/63/22/948216322.db2.gz DLZIKWCPKVZVIF-KRWDZBQOSA-N 2 1 359.539 3.709 20 0 FHADMP Cc1ccc(-c2ncc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)s2)cc1 ZINC000432361604 948216330 /nfs/dbraw/zinc/21/63/30/948216330.db2.gz DLZIKWCPKVZVIF-KRWDZBQOSA-N 2 1 359.539 3.709 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001167833427 948220906 /nfs/dbraw/zinc/22/09/06/948220906.db2.gz BCDCIFMHZPFNSJ-RCCFBDPRSA-N 2 1 355.567 3.875 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001167833369 948220928 /nfs/dbraw/zinc/22/09/28/948220928.db2.gz AJTYVMXPDHSBNM-UYAOXDASSA-N 2 1 350.547 3.950 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833405 948223431 /nfs/dbraw/zinc/22/34/31/948223431.db2.gz AYABVCCZXHWWGR-ZWKOTPCHSA-N 2 1 355.567 3.828 20 0 FHADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534083 948232076 /nfs/dbraw/zinc/23/20/76/948232076.db2.gz LFNCKHHDGFREMJ-FQEVSTJZSA-N 2 1 360.542 3.908 20 0 FHADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534083 948232079 /nfs/dbraw/zinc/23/20/79/948232079.db2.gz LFNCKHHDGFREMJ-FQEVSTJZSA-N 2 1 360.542 3.908 20 0 FHADMP Cc1cc(F)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001143586303 948275034 /nfs/dbraw/zinc/27/50/34/948275034.db2.gz WESDQAQJEIKZIS-FQEVSTJZSA-N 2 1 372.484 3.983 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000473210497 948285896 /nfs/dbraw/zinc/28/58/96/948285896.db2.gz VACTWXZPDUVELO-TYPHKJRUSA-N 2 1 359.558 3.665 20 0 FHADMP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000512044585 948289552 /nfs/dbraw/zinc/28/95/52/948289552.db2.gz GOXOXSCHTADNPB-MOPGFXCFSA-N 2 1 359.539 3.993 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001167836814 948307707 /nfs/dbraw/zinc/30/77/07/948307707.db2.gz HPXTUTHVFYEXKK-CEWLAPEOSA-N 2 1 359.558 3.621 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001167836209 948308904 /nfs/dbraw/zinc/30/89/04/948308904.db2.gz XMRBDDJOPOTHTG-BZSNNMDCSA-N 2 1 353.551 3.581 20 0 FHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432407494 948346317 /nfs/dbraw/zinc/34/63/17/948346317.db2.gz MHWTZFXDSVOSBA-HOTGVXAUSA-N 2 1 356.457 3.748 20 0 FHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432407494 948346323 /nfs/dbraw/zinc/34/63/23/948346323.db2.gz MHWTZFXDSVOSBA-HOTGVXAUSA-N 2 1 356.457 3.748 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409731 948352941 /nfs/dbraw/zinc/35/29/41/948352941.db2.gz IMBZIFBKHKNWRW-CVEARBPZSA-N 2 1 374.447 3.779 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414216 948366935 /nfs/dbraw/zinc/36/69/35/948366935.db2.gz JWBSKYANUOGHCC-QAPCUYQASA-N 2 1 369.347 3.991 20 0 FHADMP CCC[N@H+](C[C@H]1CCO[C@@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784760 948381347 /nfs/dbraw/zinc/38/13/47/948381347.db2.gz SWRIKLVKNBXPJF-FPOVZHCZSA-N 2 1 374.573 3.979 20 0 FHADMP CCC[N@@H+](C[C@H]1CCO[C@@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784760 948381355 /nfs/dbraw/zinc/38/13/55/948381355.db2.gz SWRIKLVKNBXPJF-FPOVZHCZSA-N 2 1 374.573 3.979 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432422619 948383915 /nfs/dbraw/zinc/38/39/15/948383915.db2.gz GHUDRAIZUFZQTE-LPHOPBHVSA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432422619 948383923 /nfs/dbraw/zinc/38/39/23/948383923.db2.gz GHUDRAIZUFZQTE-LPHOPBHVSA-N 2 1 366.933 3.953 20 0 FHADMP COc1ccc(C2CCC([NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC000432433138 948409474 /nfs/dbraw/zinc/40/94/74/948409474.db2.gz ZTTCUBCYLLWFTP-JSOIOWGOSA-N 2 1 360.542 3.812 20 0 FHADMP COc1ccc(C2CCC([NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC000432433138 948409481 /nfs/dbraw/zinc/40/94/81/948409481.db2.gz ZTTCUBCYLLWFTP-JSOIOWGOSA-N 2 1 360.542 3.812 20 0 FHADMP COc1ccc(C2CCC([NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC000432433139 948409892 /nfs/dbraw/zinc/40/98/92/948409892.db2.gz ZTTCUBCYLLWFTP-LWEYNCJUSA-N 2 1 360.542 3.812 20 0 FHADMP COc1ccc(C2CCC([NH2+]CCC[N@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC000432433139 948409896 /nfs/dbraw/zinc/40/98/96/948409896.db2.gz ZTTCUBCYLLWFTP-LWEYNCJUSA-N 2 1 360.542 3.812 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000279055847 948438689 /nfs/dbraw/zinc/43/86/89/948438689.db2.gz YKVJXJWLRXHVJP-CHWSQXEVSA-N 2 1 364.287 3.567 20 0 FHADMP C[C@H]1CC([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005034 948439811 /nfs/dbraw/zinc/43/98/11/948439811.db2.gz FAAXSVDSPIOOPJ-IRXDYDNUSA-N 2 1 373.541 3.637 20 0 FHADMP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512118966 948469897 /nfs/dbraw/zinc/46/98/97/948469897.db2.gz AESOJUADVZUAKQ-AWEZNQCLSA-N 2 1 365.568 3.731 20 0 FHADMP CC1CC[NH+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000507794614 948541182 /nfs/dbraw/zinc/54/11/82/948541182.db2.gz LZGBSUWXPOZARO-FQEVSTJZSA-N 2 1 358.505 3.750 20 0 FHADMP Cc1c(C)c(C)c(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C)c1C ZINC001279272115 948630226 /nfs/dbraw/zinc/63/02/26/948630226.db2.gz VRNZLAVSSSXILD-UHFFFAOYSA-N 2 1 357.586 3.688 20 0 FHADMP CCCCCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536491944 948740765 /nfs/dbraw/zinc/74/07/65/948740765.db2.gz PJCNDDDKECIFIJ-FQEVSTJZSA-N 2 1 371.569 3.669 20 0 FHADMP Cc1ccc2c(C)cc(NC[C@H]3CN(Cc4ccncc4)CCO3)[nH+]c2c1 ZINC000624705858 522871955 /nfs/dbraw/zinc/87/19/55/522871955.db2.gz IHUJQKSZTQMIAM-IBGZPJMESA-N 2 1 362.477 3.560 20 0 FHADMP COC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000161728076 567962783 /nfs/dbraw/zinc/96/27/83/567962783.db2.gz NJKIZXWVLMCKCC-HXUWFJFHSA-N 2 1 373.566 3.511 20 0 FHADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000602515218 567986499 /nfs/dbraw/zinc/98/64/99/567986499.db2.gz OPQPMGNBUUNXKV-INIZCTEOSA-N 2 1 371.481 3.516 20 0 FHADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000602515218 567986500 /nfs/dbraw/zinc/98/65/00/567986500.db2.gz OPQPMGNBUUNXKV-INIZCTEOSA-N 2 1 371.481 3.516 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000066960778 568072380 /nfs/dbraw/zinc/07/23/80/568072380.db2.gz LOBZSSFHTRJBMO-KRWDZBQOSA-N 2 1 363.521 3.905 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000066960778 568072381 /nfs/dbraw/zinc/07/23/81/568072381.db2.gz LOBZSSFHTRJBMO-KRWDZBQOSA-N 2 1 363.521 3.905 20 0 FHADMP Fc1ccc2c(NCC[NH+]3CCN(c4ccccc4)CC3)cc[nH+]c2c1 ZINC000603493118 568107600 /nfs/dbraw/zinc/10/76/00/568107600.db2.gz CKAYFJXBXVQODI-UHFFFAOYSA-N 2 1 350.441 3.608 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000603720053 568147690 /nfs/dbraw/zinc/14/76/90/568147690.db2.gz FYPUJTWXPPWBMO-UHFFFAOYSA-N 2 1 362.315 3.974 20 0 FHADMP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(C)o1 ZINC000603932775 568183420 /nfs/dbraw/zinc/18/34/20/568183420.db2.gz DWCKCKJOMVIXIF-SFHVURJKSA-N 2 1 363.546 3.740 20 0 FHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(C)o1 ZINC000603932775 568183421 /nfs/dbraw/zinc/18/34/21/568183421.db2.gz DWCKCKJOMVIXIF-SFHVURJKSA-N 2 1 363.546 3.740 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000567871165 568263396 /nfs/dbraw/zinc/26/33/96/568263396.db2.gz USMUMIFMCXQKLE-QWRGUYRKSA-N 2 1 354.317 3.788 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604774293 568363898 /nfs/dbraw/zinc/36/38/98/568363898.db2.gz NXRHDATXELPIDQ-PBHICJAKSA-N 2 1 353.938 3.931 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604774296 568363983 /nfs/dbraw/zinc/36/39/83/568363983.db2.gz NXRHDATXELPIDQ-YOEHRIQHSA-N 2 1 353.938 3.931 20 0 FHADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604774368 568364055 /nfs/dbraw/zinc/36/40/55/568364055.db2.gz TUZQEYWRHFCFHU-AZUAARDMSA-N 2 1 361.574 3.768 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3cccc(Cl)c3n2)c2c1CC[NH2+]C2 ZINC001164683880 719616918 /nfs/dbraw/zinc/61/69/18/719616918.db2.gz LBIKEOSIHDSDCQ-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3cccc(Cl)c3n2)c2c1CC[NH2+]C2 ZINC001164683880 719616923 /nfs/dbraw/zinc/61/69/23/719616923.db2.gz LBIKEOSIHDSDCQ-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164902202 721583010 /nfs/dbraw/zinc/58/30/10/721583010.db2.gz CUMVCFZWWXENGY-IBGZPJMESA-N 2 1 358.436 3.523 20 0 FHADMP Cc1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164902202 721583014 /nfs/dbraw/zinc/58/30/14/721583014.db2.gz CUMVCFZWWXENGY-IBGZPJMESA-N 2 1 358.436 3.523 20 0 FHADMP Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c1C ZINC001164904822 721698830 /nfs/dbraw/zinc/69/88/30/721698830.db2.gz GVMLUJFCHZPIOB-FQEVSTJZSA-N 2 1 372.463 3.831 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942987 936314505 /nfs/dbraw/zinc/31/45/05/936314505.db2.gz FMESUAQFHWUHLR-MOPGFXCFSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942987 936314510 /nfs/dbraw/zinc/31/45/10/936314510.db2.gz FMESUAQFHWUHLR-MOPGFXCFSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942987 936314516 /nfs/dbraw/zinc/31/45/16/936314516.db2.gz FMESUAQFHWUHLR-MOPGFXCFSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942987 936314519 /nfs/dbraw/zinc/31/45/19/936314519.db2.gz FMESUAQFHWUHLR-MOPGFXCFSA-N 2 1 367.537 3.625 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000092788848 936334857 /nfs/dbraw/zinc/33/48/57/936334857.db2.gz YPKNSYFSWDQPSY-IBGZPJMESA-N 2 1 370.566 3.665 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)nc(C)[nH+]1 ZINC000162283833 936372424 /nfs/dbraw/zinc/37/24/24/936372424.db2.gz HPGCORLUXOXILL-IBGZPJMESA-N 2 1 352.482 3.566 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000317149787 927160007 /nfs/dbraw/zinc/16/00/07/927160007.db2.gz GBHVWEZEDGGBEL-VYDXJSESSA-N 2 1 365.315 3.879 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317149787 927160011 /nfs/dbraw/zinc/16/00/11/927160011.db2.gz GBHVWEZEDGGBEL-VYDXJSESSA-N 2 1 365.315 3.879 20 0 FHADMP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000579731557 927238835 /nfs/dbraw/zinc/23/88/35/927238835.db2.gz KBJGSKXSJNTRTR-UHFFFAOYSA-N 2 1 359.901 3.758 20 0 FHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1CCCCC1 ZINC000044715222 927290181 /nfs/dbraw/zinc/29/01/81/927290181.db2.gz QXSXWVZOQQSDQB-LJQANCHMSA-N 2 1 371.569 3.668 20 0 FHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654858081 927434044 /nfs/dbraw/zinc/43/40/44/927434044.db2.gz ZHYCPLNAIAKPCH-FQEVSTJZSA-N 2 1 351.494 3.517 20 0 FHADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591498 927966915 /nfs/dbraw/zinc/96/69/15/927966915.db2.gz NHCGRHMKTYPHDM-QFBILLFUSA-N 2 1 369.475 3.521 20 0 FHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2)C1 ZINC001208665937 928376339 /nfs/dbraw/zinc/37/63/39/928376339.db2.gz SUHSFOHJZMVUOR-MSOLQXFVSA-N 2 1 352.563 3.798 20 0 FHADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229361 928393064 /nfs/dbraw/zinc/39/30/64/928393064.db2.gz GXFMEWWORSRHLH-WOJBJXKFSA-N 2 1 358.551 3.950 20 0 FHADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229361 928393073 /nfs/dbraw/zinc/39/30/73/928393073.db2.gz GXFMEWWORSRHLH-WOJBJXKFSA-N 2 1 358.551 3.950 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000157700809 928516344 /nfs/dbraw/zinc/51/63/44/928516344.db2.gz KKEJNLRSZMETEO-KDURUIRLSA-N 2 1 363.977 3.763 20 0 FHADMP c1nc(C2CC2)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000583236426 937261723 /nfs/dbraw/zinc/26/17/23/937261723.db2.gz XAOXAUGGLYATJG-RTBURBONSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000583236426 937261726 /nfs/dbraw/zinc/26/17/26/937261726.db2.gz XAOXAUGGLYATJG-RTBURBONSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000583236426 937261728 /nfs/dbraw/zinc/26/17/28/937261728.db2.gz XAOXAUGGLYATJG-RTBURBONSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000583236426 937261731 /nfs/dbraw/zinc/26/17/31/937261731.db2.gz XAOXAUGGLYATJG-RTBURBONSA-N 2 1 353.535 3.974 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154494967 928861398 /nfs/dbraw/zinc/86/13/98/928861398.db2.gz UZKFYRZZBUDINL-MSOLQXFVSA-N 2 1 374.598 3.796 20 0 FHADMP C[N@@H+](CCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000547732311 929062406 /nfs/dbraw/zinc/06/24/06/929062406.db2.gz YCOYDTBJZPYDOD-UHFFFAOYSA-N 2 1 371.569 3.764 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000547740533 929169252 /nfs/dbraw/zinc/16/92/52/929169252.db2.gz CBWNALJRXIGAPB-UHIMYIODSA-N 2 1 369.597 3.918 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000583282205 937313538 /nfs/dbraw/zinc/31/35/38/937313538.db2.gz HSHIIMXCYCPYPU-WMZOPIPTSA-N 2 1 357.464 3.513 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000583282205 937313541 /nfs/dbraw/zinc/31/35/41/937313541.db2.gz HSHIIMXCYCPYPU-WMZOPIPTSA-N 2 1 357.464 3.513 20 0 FHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547757955 929407483 /nfs/dbraw/zinc/40/74/83/929407483.db2.gz OCBIPKOMGCUBBH-UHFFFAOYSA-N 2 1 357.542 3.619 20 0 FHADMP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000180467369 929517907 /nfs/dbraw/zinc/51/79/07/929517907.db2.gz HUGWSNYBUPPMRM-HSZRJFAPSA-N 2 1 351.538 3.702 20 0 FHADMP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000180467387 929517937 /nfs/dbraw/zinc/51/79/37/929517937.db2.gz HUGWSNYBUPPMRM-QHCPKHFHSA-N 2 1 351.538 3.702 20 0 FHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657751343 937344179 /nfs/dbraw/zinc/34/41/79/937344179.db2.gz QMQCVOYBHMUFNZ-QHCPKHFHSA-N 2 1 365.521 3.797 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000122138425 929659294 /nfs/dbraw/zinc/65/92/94/929659294.db2.gz DEERWJKDFVMAQO-VOFPXKNKSA-N 2 1 354.538 3.977 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000122138425 929659300 /nfs/dbraw/zinc/65/93/00/929659300.db2.gz DEERWJKDFVMAQO-VOFPXKNKSA-N 2 1 354.538 3.977 20 0 FHADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000046955976 929671633 /nfs/dbraw/zinc/67/16/33/929671633.db2.gz LSAOKVRKDCHCPV-GOSISDBHSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH+]1CC[C@H](CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000046955976 929671638 /nfs/dbraw/zinc/67/16/38/929671638.db2.gz LSAOKVRKDCHCPV-GOSISDBHSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH+]1CC[C@H](CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000046955976 929671642 /nfs/dbraw/zinc/67/16/42/929671642.db2.gz LSAOKVRKDCHCPV-GOSISDBHSA-N 2 1 372.557 3.914 20 0 FHADMP C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312572961 929695474 /nfs/dbraw/zinc/69/54/74/929695474.db2.gz VCTMBSVMMXPHIK-FXAWDEMLSA-N 2 1 361.489 3.941 20 0 FHADMP C[C@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)CC[NH2+]1 ZINC001210495770 929857241 /nfs/dbraw/zinc/85/72/41/929857241.db2.gz BTZQNTVZWFAVNA-AWEZNQCLSA-N 2 1 360.299 3.695 20 0 FHADMP C[C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CC[NH2+]1 ZINC001210495770 929857251 /nfs/dbraw/zinc/85/72/51/929857251.db2.gz BTZQNTVZWFAVNA-AWEZNQCLSA-N 2 1 360.299 3.695 20 0 FHADMP FC(F)(F)C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683721339 929918577 /nfs/dbraw/zinc/91/85/77/929918577.db2.gz SRPOMNXOVCYWDQ-KRWDZBQOSA-N 2 1 356.432 3.936 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4cnccc4c3)c2)CCO1 ZINC000683766766 930093720 /nfs/dbraw/zinc/09/37/20/930093720.db2.gz JAWGHWVDEODJKH-SFHVURJKSA-N 2 1 361.489 3.745 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4cnccc4c3)c2)CCO1 ZINC000683766766 930093727 /nfs/dbraw/zinc/09/37/27/930093727.db2.gz JAWGHWVDEODJKH-SFHVURJKSA-N 2 1 361.489 3.745 20 0 FHADMP Cc1cccc2ncc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413330 937421563 /nfs/dbraw/zinc/42/15/63/937421563.db2.gz XHAXWRSMTAPNLF-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413330 937421566 /nfs/dbraw/zinc/42/15/66/937421566.db2.gz XHAXWRSMTAPNLF-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413330 937421569 /nfs/dbraw/zinc/42/15/69/937421569.db2.gz XHAXWRSMTAPNLF-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413330 937421571 /nfs/dbraw/zinc/42/15/71/937421571.db2.gz XHAXWRSMTAPNLF-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3ccccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000683927893 930639308 /nfs/dbraw/zinc/63/93/08/930639308.db2.gz QAJLLTCUZGHXNF-HSZRJFAPSA-N 2 1 362.521 3.636 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000656262438 930943714 /nfs/dbraw/zinc/94/37/14/930943714.db2.gz VKBVBLYLOURZCC-HXUWFJFHSA-N 2 1 352.526 3.653 20 0 FHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380530 930962646 /nfs/dbraw/zinc/96/26/46/930962646.db2.gz LYZKZLDOSCRETG-IRLDBZIGSA-N 2 1 360.517 3.623 20 0 FHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380530 930962655 /nfs/dbraw/zinc/96/26/55/930962655.db2.gz LYZKZLDOSCRETG-IRLDBZIGSA-N 2 1 360.517 3.623 20 0 FHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380530 930962660 /nfs/dbraw/zinc/96/26/60/930962660.db2.gz LYZKZLDOSCRETG-IRLDBZIGSA-N 2 1 360.517 3.623 20 0 FHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380530 930962667 /nfs/dbraw/zinc/96/26/67/930962667.db2.gz LYZKZLDOSCRETG-IRLDBZIGSA-N 2 1 360.517 3.623 20 0 FHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000684021979 931001710 /nfs/dbraw/zinc/00/17/10/931001710.db2.gz ZXXPLYCAFYJKCK-UHFFFAOYSA-N 2 1 368.569 3.796 20 0 FHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccccc2[nH]1 ZINC000684021979 931001714 /nfs/dbraw/zinc/00/17/14/931001714.db2.gz ZXXPLYCAFYJKCK-UHFFFAOYSA-N 3 1 368.569 3.796 20 0 FHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccccc2[nH]1 ZINC000684021979 931001720 /nfs/dbraw/zinc/00/17/20/931001720.db2.gz ZXXPLYCAFYJKCK-UHFFFAOYSA-N 3 1 368.569 3.796 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(CC(C)C)CC(C)C)CC2)CC1 ZINC000580783659 931146626 /nfs/dbraw/zinc/14/66/26/931146626.db2.gz UMZPPHXTXYAGTO-UHFFFAOYSA-N 2 1 365.606 3.760 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801762 931166260 /nfs/dbraw/zinc/16/62/60/931166260.db2.gz WYSDEHUNVQQQMR-KGLIPLIRSA-N 2 1 357.311 3.839 20 0 FHADMP c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)sc1-c1ccccc1 ZINC000154196226 931213708 /nfs/dbraw/zinc/21/37/08/931213708.db2.gz YTOFUBMZADZFFY-UHFFFAOYSA-N 2 1 371.550 3.887 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000580895044 931310207 /nfs/dbraw/zinc/31/02/07/931310207.db2.gz PGDMEQATRLRSIZ-GHTZIAJQSA-N 2 1 357.542 3.580 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000580968231 931423446 /nfs/dbraw/zinc/42/34/46/931423446.db2.gz GQXOTYUXIKKRIH-UHFFFAOYSA-N 2 1 352.478 3.948 20 0 FHADMP CC(C)c1ccccc1NC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548153344 931568740 /nfs/dbraw/zinc/56/87/40/931568740.db2.gz BPMHCLAOSXCEHJ-UHFFFAOYSA-N 2 1 353.470 3.601 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOCC2CCC2)cc1 ZINC000656407197 931603441 /nfs/dbraw/zinc/60/34/41/931603441.db2.gz REROCAHCTYUNBB-AFXVXQJMSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCC2)cc1 ZINC000656407197 931603443 /nfs/dbraw/zinc/60/34/43/931603443.db2.gz REROCAHCTYUNBB-AFXVXQJMSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCC2)cc1 ZINC000656407197 931603444 /nfs/dbraw/zinc/60/34/44/931603444.db2.gz REROCAHCTYUNBB-AFXVXQJMSA-N 2 1 354.538 3.646 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cc(C)c(C)cc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000581190777 931651528 /nfs/dbraw/zinc/65/15/28/931651528.db2.gz AEPOIFODWRCGOZ-NRFANRHFSA-N 2 1 366.553 3.973 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cc(C)c(C)cc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000581190777 931651533 /nfs/dbraw/zinc/65/15/33/931651533.db2.gz AEPOIFODWRCGOZ-NRFANRHFSA-N 2 1 366.553 3.973 20 0 FHADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000581243362 931729382 /nfs/dbraw/zinc/72/93/82/931729382.db2.gz DDZBYJWVFPBOGN-KSSFIOAISA-N 2 1 374.916 3.839 20 0 FHADMP C[N@@H+](Cc1cc(Br)cs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123936590 931978632 /nfs/dbraw/zinc/97/86/32/931978632.db2.gz MARVLEHPQUBFQV-UHFFFAOYSA-N 2 1 351.313 3.788 20 0 FHADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](C)C(=O)OC)C2 ZINC001279517709 932628757 /nfs/dbraw/zinc/62/87/57/932628757.db2.gz OJAIHBIXCWXABO-ZJOUEHCJSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](C)C(=O)OC)C2 ZINC001279517709 932628764 /nfs/dbraw/zinc/62/87/64/932628764.db2.gz OJAIHBIXCWXABO-ZJOUEHCJSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](C)C(=O)OC)C2 ZINC001279517709 932628771 /nfs/dbraw/zinc/62/87/71/932628771.db2.gz OJAIHBIXCWXABO-ZJOUEHCJSA-N 2 1 352.563 3.800 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000581882758 932831152 /nfs/dbraw/zinc/83/11/52/932831152.db2.gz NEWCPOJZZCLEIH-IXDOHACOSA-N 2 1 367.493 3.568 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000581882758 932831156 /nfs/dbraw/zinc/83/11/56/932831156.db2.gz NEWCPOJZZCLEIH-IXDOHACOSA-N 2 1 367.493 3.568 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CCSCc1ccccc1 ZINC000430755565 933208693 /nfs/dbraw/zinc/20/86/93/933208693.db2.gz IULQCIMFRIICMI-JOCHJYFZSA-N 2 1 370.562 3.666 20 0 FHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000430812229 933247275 /nfs/dbraw/zinc/24/72/75/933247275.db2.gz VCFBTMRXMWLFKC-VXNCWWDNSA-N 2 1 363.571 3.545 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548389239 933299069 /nfs/dbraw/zinc/29/90/69/933299069.db2.gz SUFOHYVOVKQVBU-UHFFFAOYSA-N 2 1 359.558 3.799 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c1C ZINC000091708368 933878132 /nfs/dbraw/zinc/87/81/32/933878132.db2.gz SWKDZUYUVCZODP-UHFFFAOYSA-N 2 1 353.510 3.803 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000091708368 933878138 /nfs/dbraw/zinc/87/81/38/933878138.db2.gz SWKDZUYUVCZODP-UHFFFAOYSA-N 2 1 353.510 3.803 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092165660 933970601 /nfs/dbraw/zinc/97/06/01/933970601.db2.gz LHNNUTHFYNJALV-UHFFFAOYSA-N 3 1 372.601 3.523 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092165660 933970607 /nfs/dbraw/zinc/97/06/07/933970607.db2.gz LHNNUTHFYNJALV-UHFFFAOYSA-N 3 1 372.601 3.523 20 0 FHADMP CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000276919376 933979867 /nfs/dbraw/zinc/97/98/67/933979867.db2.gz MDAREXMRDBIPAV-FQEVSTJZSA-N 2 1 371.550 3.767 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588027 934099668 /nfs/dbraw/zinc/09/96/68/934099668.db2.gz QJNZNERGWCNCLN-NHCUHLMSSA-N 2 1 371.569 3.610 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588027 934099679 /nfs/dbraw/zinc/09/96/79/934099679.db2.gz QJNZNERGWCNCLN-NHCUHLMSSA-N 2 1 371.569 3.610 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588027 934099690 /nfs/dbraw/zinc/09/96/90/934099690.db2.gz QJNZNERGWCNCLN-NHCUHLMSSA-N 2 1 371.569 3.610 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588027 934099698 /nfs/dbraw/zinc/09/96/98/934099698.db2.gz QJNZNERGWCNCLN-NHCUHLMSSA-N 2 1 371.569 3.610 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000510935921 934192747 /nfs/dbraw/zinc/19/27/47/934192747.db2.gz UWSSRBMJJNDCEQ-GFCCVEGCSA-N 2 1 354.267 3.704 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960858 934227690 /nfs/dbraw/zinc/22/76/90/934227690.db2.gz KSCCOCAEHPGKLK-KSSFIOAISA-N 2 1 367.331 3.527 20 0 FHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682624 934273437 /nfs/dbraw/zinc/27/34/37/934273437.db2.gz ZCNVYQWRIQKXPH-SFHVURJKSA-N 2 1 358.526 3.705 20 0 FHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535682624 934273441 /nfs/dbraw/zinc/27/34/41/934273441.db2.gz ZCNVYQWRIQKXPH-SFHVURJKSA-N 2 1 358.526 3.705 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799768 934426162 /nfs/dbraw/zinc/42/61/62/934426162.db2.gz QCTKCWSUHCNFKE-BBRMVZONSA-N 2 1 372.294 3.674 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000180992496 934520159 /nfs/dbraw/zinc/52/01/59/934520159.db2.gz OKUWHXUORLDWSA-NRFANRHFSA-N 2 1 362.473 3.803 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000180992496 934520163 /nfs/dbraw/zinc/52/01/63/934520163.db2.gz OKUWHXUORLDWSA-NRFANRHFSA-N 2 1 362.473 3.803 20 0 FHADMP CO[C@@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504413 934871163 /nfs/dbraw/zinc/87/11/63/934871163.db2.gz LFQCIZJMOAYQKE-KNQAVFIVSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504413 934871169 /nfs/dbraw/zinc/87/11/69/934871169.db2.gz LFQCIZJMOAYQKE-KNQAVFIVSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504413 934871174 /nfs/dbraw/zinc/87/11/74/934871174.db2.gz LFQCIZJMOAYQKE-KNQAVFIVSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504413 934871180 /nfs/dbraw/zinc/87/11/80/934871180.db2.gz LFQCIZJMOAYQKE-KNQAVFIVSA-N 2 1 356.485 3.967 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010236 934877507 /nfs/dbraw/zinc/87/75/07/934877507.db2.gz ISONCKJRHYYVLX-NQIIRXRSSA-N 2 1 367.537 3.912 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010236 934877515 /nfs/dbraw/zinc/87/75/15/934877515.db2.gz ISONCKJRHYYVLX-NQIIRXRSSA-N 2 1 367.537 3.912 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014776 934891771 /nfs/dbraw/zinc/89/17/71/934891771.db2.gz XSDNKAMALUJUOV-VQTJNVASSA-N 2 1 371.569 3.655 20 0 FHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000431336748 935144998 /nfs/dbraw/zinc/14/49/98/935144998.db2.gz FNDHNUJGLWZZMG-OAQYLSRUSA-N 2 1 370.537 3.624 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000157851177 935211662 /nfs/dbraw/zinc/21/16/62/935211662.db2.gz HPVGKFOVAHSSJZ-MSOLQXFVSA-N 2 1 359.514 3.948 20 0 FHADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544024233 935251568 /nfs/dbraw/zinc/25/15/68/935251568.db2.gz WDWDNZBMYDPXMW-OKZBNKHCSA-N 2 1 350.572 3.890 20 0 FHADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719409 935480388 /nfs/dbraw/zinc/48/03/88/935480388.db2.gz AARNVTJOZLTWOB-PZJWPPBQSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548719409 935480392 /nfs/dbraw/zinc/48/03/92/935480392.db2.gz AARNVTJOZLTWOB-PZJWPPBQSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548719409 935480394 /nfs/dbraw/zinc/48/03/94/935480394.db2.gz AARNVTJOZLTWOB-PZJWPPBQSA-N 2 1 371.569 3.668 20 0 FHADMP COC(=O)C1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000509559343 945107827 /nfs/dbraw/zinc/10/78/27/945107827.db2.gz VANRFORFORPGBC-UHFFFAOYSA-N 2 1 361.873 3.575 20 0 FHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000582435308 935698977 /nfs/dbraw/zinc/69/89/77/935698977.db2.gz JLGDZMAGXLXWFO-HNNXBMFYSA-N 2 1 372.294 3.501 20 0 FHADMP CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000657431712 935717972 /nfs/dbraw/zinc/71/79/72/935717972.db2.gz JLFSEONLQZLXBG-JOCHJYFZSA-N 2 1 368.521 3.640 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161287071 935758197 /nfs/dbraw/zinc/75/81/97/935758197.db2.gz WFKCULRCGMXQJE-SFHVURJKSA-N 2 1 358.526 3.836 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000509566872 945121542 /nfs/dbraw/zinc/12/15/42/945121542.db2.gz AXROSCONRZAROG-RTWAWAEBSA-N 2 1 364.537 3.942 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000509566872 945121546 /nfs/dbraw/zinc/12/15/46/945121546.db2.gz AXROSCONRZAROG-RTWAWAEBSA-N 2 1 364.537 3.942 20 0 FHADMP Cc1ccc2cc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)[nH]c2c1 ZINC000657446740 935781108 /nfs/dbraw/zinc/78/11/08/935781108.db2.gz KRAWDESMAPJTEM-JOCHJYFZSA-N 2 1 363.505 3.857 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000548739998 935800739 /nfs/dbraw/zinc/80/07/39/935800739.db2.gz OTWQLECSBJESLU-UHFFFAOYSA-N 2 1 365.521 3.664 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000582606801 935865987 /nfs/dbraw/zinc/86/59/87/935865987.db2.gz XEOLYVHYWGLLKD-RDJZCZTQSA-N 2 1 363.933 3.605 20 0 FHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152863124 935872346 /nfs/dbraw/zinc/87/23/46/935872346.db2.gz ZYOFGPLNNNQLOB-RTBURBONSA-N 2 1 367.537 3.879 20 0 FHADMP CCC[N@H+](CC1CC(OCC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375724998 935903915 /nfs/dbraw/zinc/90/39/15/935903915.db2.gz ZBSRKSUMOMPHEQ-UHFFFAOYSA-N 2 1 360.546 3.589 20 0 FHADMP CCC[N@@H+](CC1CC(OCC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375724998 935903917 /nfs/dbraw/zinc/90/39/17/935903917.db2.gz ZBSRKSUMOMPHEQ-UHFFFAOYSA-N 2 1 360.546 3.589 20 0 FHADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2cc3ccccc3o2)n1 ZINC000684966602 935913144 /nfs/dbraw/zinc/91/31/44/935913144.db2.gz JACMUWVWMWBPOY-UHFFFAOYSA-N 2 1 352.482 3.751 20 0 FHADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2cc3ccccc3o2)n1 ZINC000684966602 935913146 /nfs/dbraw/zinc/91/31/46/935913146.db2.gz JACMUWVWMWBPOY-UHFFFAOYSA-N 2 1 352.482 3.751 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)CC1 ZINC000582672335 935927186 /nfs/dbraw/zinc/92/71/86/935927186.db2.gz JQVNPWFARMABQS-JOCHJYFZSA-N 2 1 371.569 3.586 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000563460843 936062682 /nfs/dbraw/zinc/06/26/82/936062682.db2.gz ZKHCSHCSQAHOOM-GOEBONIOSA-N 2 1 363.552 3.590 20 0 FHADMP C[C@H](CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000237475539 936074997 /nfs/dbraw/zinc/07/49/97/936074997.db2.gz BZJDEHLTROZXLF-RTBURBONSA-N 2 1 371.569 3.561 20 0 FHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000657596976 936079822 /nfs/dbraw/zinc/07/98/22/936079822.db2.gz PWJSMBCKDXJYTR-KRWDZBQOSA-N 2 1 362.876 3.644 20 0 FHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000657596976 936079827 /nfs/dbraw/zinc/07/98/27/936079827.db2.gz PWJSMBCKDXJYTR-KRWDZBQOSA-N 2 1 362.876 3.644 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)cc2)C1 ZINC000657596572 936080159 /nfs/dbraw/zinc/08/01/59/936080159.db2.gz OLCHDXGGFDFEAD-QHCPKHFHSA-N 2 1 373.500 3.605 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000657762722 938271178 /nfs/dbraw/zinc/27/11/78/938271178.db2.gz MPHNYXOESWVJHN-FPOVZHCZSA-N 2 1 371.569 3.716 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000657762722 938271180 /nfs/dbraw/zinc/27/11/80/938271180.db2.gz MPHNYXOESWVJHN-FPOVZHCZSA-N 2 1 371.569 3.716 20 0 FHADMP Cn1c2ccccc2nc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771291 938306835 /nfs/dbraw/zinc/30/68/35/938306835.db2.gz ANICIUIEHLBKFU-HXUWFJFHSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1c2ccccc2nc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771291 938306837 /nfs/dbraw/zinc/30/68/37/938306837.db2.gz ANICIUIEHLBKFU-HXUWFJFHSA-N 2 1 374.532 3.965 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cs2)cc1 ZINC000650722979 938310111 /nfs/dbraw/zinc/31/01/11/938310111.db2.gz FPFPQNFAYLLHKY-MISYRCLQSA-N 2 1 371.550 3.979 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(Cl)c1OC ZINC000583592071 938311264 /nfs/dbraw/zinc/31/12/64/938311264.db2.gz QSHWZYNDTYYFCZ-INIZCTEOSA-N 2 1 352.906 3.521 20 0 FHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1O ZINC000657772984 938314347 /nfs/dbraw/zinc/31/43/47/938314347.db2.gz YLXPPMWJIKYSLW-HXUWFJFHSA-N 2 1 366.505 3.793 20 0 FHADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772990 938314649 /nfs/dbraw/zinc/31/46/49/938314649.db2.gz PMIXJOLFWUDBPQ-HXUWFJFHSA-N 2 1 352.526 3.685 20 0 FHADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772990 938314650 /nfs/dbraw/zinc/31/46/50/938314650.db2.gz PMIXJOLFWUDBPQ-HXUWFJFHSA-N 2 1 352.526 3.685 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774101 938318346 /nfs/dbraw/zinc/31/83/46/938318346.db2.gz XCOFSOUIGXHAGI-LEWJYISDSA-N 2 1 354.538 3.980 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630198 938326177 /nfs/dbraw/zinc/32/61/77/938326177.db2.gz MYJVYBSWQREMJV-UNMCSNQZSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@@H]3CCCC[N@@H+]3C3CC3)CC23CC3)cc1 ZINC000583630198 938326179 /nfs/dbraw/zinc/32/61/79/938326179.db2.gz MYJVYBSWQREMJV-UNMCSNQZSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@@H]3CCCC[N@H+]3C3CC3)CC23CC3)cc1 ZINC000583630198 938326182 /nfs/dbraw/zinc/32/61/82/938326182.db2.gz MYJVYBSWQREMJV-UNMCSNQZSA-N 2 1 353.554 3.790 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000728571808 938332930 /nfs/dbraw/zinc/33/29/30/938332930.db2.gz LINGVSXQIHAASO-GOSISDBHSA-N 2 1 358.448 3.791 20 0 FHADMP C[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000246169659 938343645 /nfs/dbraw/zinc/34/36/45/938343645.db2.gz BCLADHFYLCYTEV-ROUUACIJSA-N 2 1 357.542 3.883 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4Cc5cc(F)ccc5[C@@H]34)CC2)cc1 ZINC000657789420 938385231 /nfs/dbraw/zinc/38/52/31/938385231.db2.gz PVQZZBKPYDAXPG-YTFSRNRJSA-N 2 1 368.471 3.900 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828238 938433883 /nfs/dbraw/zinc/43/38/83/938433883.db2.gz RPRIJSPHAPURAL-XHSDSOJGSA-N 2 1 372.431 3.599 20 0 FHADMP Fc1ccc(CC[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000564528687 938445619 /nfs/dbraw/zinc/44/56/19/938445619.db2.gz IUHOXGHFJWSIDB-UHFFFAOYSA-N 2 1 362.876 3.644 20 0 FHADMP CN(c1ccccc1C[NH2+]Cc1nc(C2CC2)cs1)C1CC[NH+](C)CC1 ZINC000131162598 938455114 /nfs/dbraw/zinc/45/51/14/938455114.db2.gz UHTBCPUAUDYLHD-UHFFFAOYSA-N 2 1 370.566 3.841 20 0 FHADMP Cc1nc(C)c(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000157941738 938456560 /nfs/dbraw/zinc/45/65/60/938456560.db2.gz OREWIRBLCDWABZ-UHFFFAOYSA-N 2 1 361.530 3.738 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538271 945179753 /nfs/dbraw/zinc/17/97/53/945179753.db2.gz NSGKJOWLLBLZDS-FGTMMUONSA-N 2 1 358.448 3.632 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cccc(C)c1C ZINC000584002499 938532832 /nfs/dbraw/zinc/53/28/32/938532832.db2.gz CPZVPBKSBORHJH-UHFFFAOYSA-N 2 1 371.569 3.853 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000584108215 938600794 /nfs/dbraw/zinc/60/07/94/938600794.db2.gz RTOBDIZMVBOIHD-QFBILLFUSA-N 2 1 372.538 3.720 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccnc(OC)c3)CC2)cs1 ZINC000519180326 945196258 /nfs/dbraw/zinc/19/62/58/945196258.db2.gz PWAOBGCQDRKKGX-HNNXBMFYSA-N 2 1 374.554 3.672 20 0 FHADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584292259 938671746 /nfs/dbraw/zinc/67/17/46/938671746.db2.gz ZTSWWZZNULMQCG-IBGZPJMESA-N 2 1 356.510 3.507 20 0 FHADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584292259 938671747 /nfs/dbraw/zinc/67/17/47/938671747.db2.gz ZTSWWZZNULMQCG-IBGZPJMESA-N 2 1 356.510 3.507 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302092 938677491 /nfs/dbraw/zinc/67/74/91/938677491.db2.gz RYOZKHSTTYNDMM-LULLPPNCSA-N 2 1 369.475 3.948 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302092 938677494 /nfs/dbraw/zinc/67/74/94/938677494.db2.gz RYOZKHSTTYNDMM-LULLPPNCSA-N 2 1 369.475 3.948 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000584398110 938813042 /nfs/dbraw/zinc/81/30/42/938813042.db2.gz ATVRILDHWOEUJJ-NQIIRXRSSA-N 2 1 364.468 3.699 20 0 FHADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1Cl ZINC000278765774 938843369 /nfs/dbraw/zinc/84/33/69/938843369.db2.gz BXZKKGPVJHPBMH-IBGZPJMESA-N 2 1 359.901 3.786 20 0 FHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278766131 938844490 /nfs/dbraw/zinc/84/44/90/938844490.db2.gz MWEKDYHXCWOPCM-UHFFFAOYSA-N 2 1 367.415 3.584 20 0 FHADMP C[C@@H]1C[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090708794 938881940 /nfs/dbraw/zinc/88/19/40/938881940.db2.gz JJJDXXCTNGHUTH-IEBWSBKVSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541156 938903267 /nfs/dbraw/zinc/90/32/67/938903267.db2.gz IKDPKBUVZMEBAV-GCJKJVERSA-N 2 1 360.505 3.934 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541160 938903448 /nfs/dbraw/zinc/90/34/48/938903448.db2.gz IKDPKBUVZMEBAV-XMSQKQJNSA-N 2 1 360.505 3.934 20 0 FHADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000668740970 938976522 /nfs/dbraw/zinc/97/65/22/938976522.db2.gz YSPXBAJPIHVERT-IBGZPJMESA-N 2 1 370.459 3.559 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657887789 938977495 /nfs/dbraw/zinc/97/74/95/938977495.db2.gz KADFUKHMSIHOEJ-BJLQDIEVSA-N 2 1 366.571 3.552 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657887789 938977497 /nfs/dbraw/zinc/97/74/97/938977497.db2.gz KADFUKHMSIHOEJ-BJLQDIEVSA-N 2 1 366.571 3.552 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000657887867 938981944 /nfs/dbraw/zinc/98/19/44/938981944.db2.gz MUGJSXJTONDETP-XMSQKQJNSA-N 2 1 360.542 3.633 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000685410571 938984244 /nfs/dbraw/zinc/98/42/44/938984244.db2.gz ZSYFMAJGNJLFMB-UHFFFAOYSA-N 2 1 355.530 3.520 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000685410571 938984245 /nfs/dbraw/zinc/98/42/45/938984245.db2.gz ZSYFMAJGNJLFMB-UHFFFAOYSA-N 2 1 355.530 3.520 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1C ZINC000685462785 938988739 /nfs/dbraw/zinc/98/87/39/938988739.db2.gz BFCCNELVRVAJLH-UHFFFAOYSA-N 2 1 351.498 3.852 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1C ZINC000685462785 938988740 /nfs/dbraw/zinc/98/87/40/938988740.db2.gz BFCCNELVRVAJLH-UHFFFAOYSA-N 2 1 351.498 3.852 20 0 FHADMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093317763 938993492 /nfs/dbraw/zinc/99/34/92/938993492.db2.gz PBJSGDVWKBJQPA-NRFANRHFSA-N 2 1 360.542 3.942 20 0 FHADMP C[C@@H]1C[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080230839 938999687 /nfs/dbraw/zinc/99/96/87/938999687.db2.gz NGHPUWNOBUVVTJ-MJGOQNOKSA-N 2 1 351.498 3.542 20 0 FHADMP C[C@@H]1C[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080230839 938999688 /nfs/dbraw/zinc/99/96/88/938999688.db2.gz NGHPUWNOBUVVTJ-MJGOQNOKSA-N 2 1 351.498 3.542 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571177 939001909 /nfs/dbraw/zinc/00/19/09/939001909.db2.gz HRUOCQVJDARLKR-ZWKOTPCHSA-N 2 1 358.448 3.837 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571177 939001910 /nfs/dbraw/zinc/00/19/10/939001910.db2.gz HRUOCQVJDARLKR-ZWKOTPCHSA-N 2 1 358.448 3.837 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000658002429 939018423 /nfs/dbraw/zinc/01/84/23/939018423.db2.gz CJFUMCZPJIHQMO-VXKWHMMOSA-N 2 1 374.569 3.708 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000658002429 939018424 /nfs/dbraw/zinc/01/84/24/939018424.db2.gz CJFUMCZPJIHQMO-VXKWHMMOSA-N 2 1 374.569 3.708 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102620 939026450 /nfs/dbraw/zinc/02/64/50/939026450.db2.gz ZJWAGSMNJZWUDE-KNQAVFIVSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102620 939026454 /nfs/dbraw/zinc/02/64/54/939026454.db2.gz ZJWAGSMNJZWUDE-KNQAVFIVSA-N 2 1 364.537 3.682 20 0 FHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658141476 939034851 /nfs/dbraw/zinc/03/48/51/939034851.db2.gz BMNPHESFYWAYEP-DYESRHJHSA-N 2 1 354.494 3.503 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142217 939036143 /nfs/dbraw/zinc/03/61/43/939036143.db2.gz DNQOUMDXGSQJNA-QUCCMNQESA-N 2 1 354.519 3.580 20 0 FHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(C)C)cc1 ZINC000658137631 939041002 /nfs/dbraw/zinc/04/10/02/939041002.db2.gz KUCWNZQEWBOTKH-JTHBVZDNSA-N 2 1 368.521 3.749 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2ccncc2s1 ZINC000658139044 939041345 /nfs/dbraw/zinc/04/13/45/939041345.db2.gz QCSCWGYZDPAVBP-HNAYVOBHSA-N 2 1 367.518 3.714 20 0 FHADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658138187 939042450 /nfs/dbraw/zinc/04/24/50/939042450.db2.gz NBPVHTDGKWOCQJ-FCHUYYIVSA-N 2 1 353.510 3.525 20 0 FHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CCC2)o1 ZINC000658140914 939043397 /nfs/dbraw/zinc/04/33/97/939043397.db2.gz VXVGJQVPUIXKTH-IFMALSPDSA-N 2 1 354.494 3.786 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236836 939078401 /nfs/dbraw/zinc/07/84/01/939078401.db2.gz XOGANSJHXCPFFA-JBJBFBLISA-N 2 1 366.553 3.632 20 0 FHADMP C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658268424 939093857 /nfs/dbraw/zinc/09/38/57/939093857.db2.gz NWSBTZLKLSCPBE-XLIONFOSSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658268424 939093862 /nfs/dbraw/zinc/09/38/62/939093862.db2.gz NWSBTZLKLSCPBE-XLIONFOSSA-N 2 1 352.526 3.688 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109756 /nfs/dbraw/zinc/10/97/56/939109756.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109764 /nfs/dbraw/zinc/10/97/64/939109764.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109766 /nfs/dbraw/zinc/10/97/66/939109766.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 2 1 367.581 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109769 /nfs/dbraw/zinc/10/97/69/939109769.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 3 1 367.581 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109771 /nfs/dbraw/zinc/10/97/71/939109771.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109774 /nfs/dbraw/zinc/10/97/74/939109774.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109777 /nfs/dbraw/zinc/10/97/77/939109777.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 3 1 367.581 3.751 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nsc3ccccc23)[C@H](C)C1 ZINC000658318862 939110315 /nfs/dbraw/zinc/11/03/15/939110315.db2.gz TURNBKNTDTUTIY-SJLPKXTDSA-N 2 1 361.555 3.565 20 0 FHADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318657 939110738 /nfs/dbraw/zinc/11/07/38/939110738.db2.gz RLZYJGXXFRZCPN-VQTJNVASSA-N 2 1 350.510 3.610 20 0 FHADMP OC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC(F)(F)CC1 ZINC000658321323 939112138 /nfs/dbraw/zinc/11/21/38/939112138.db2.gz OHUWNEWPGIABGC-LDLYASANSA-N 2 1 364.480 3.712 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686504 939136020 /nfs/dbraw/zinc/13/60/20/939136020.db2.gz RIXAVWOCMAEULS-QPPBQGQZSA-N 2 1 371.613 3.993 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000507461158 945250329 /nfs/dbraw/zinc/25/03/29/945250329.db2.gz KRLLURCQFGUILS-MRXNPFEDSA-N 2 1 356.514 3.812 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506448784 945260152 /nfs/dbraw/zinc/26/01/52/945260152.db2.gz VGDQTXQPOQDJNX-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506448784 945260159 /nfs/dbraw/zinc/26/01/59/945260159.db2.gz VGDQTXQPOQDJNX-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448784 945260168 /nfs/dbraw/zinc/26/01/68/945260168.db2.gz VGDQTXQPOQDJNX-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448784 945260174 /nfs/dbraw/zinc/26/01/74/945260174.db2.gz VGDQTXQPOQDJNX-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507488330 945274815 /nfs/dbraw/zinc/27/48/15/945274815.db2.gz UHUQNJKVBPBHGJ-YCAMKHIRSA-N 2 1 364.533 3.783 20 0 FHADMP C[C@H](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH2+]CC1 ZINC000164587863 939875794 /nfs/dbraw/zinc/87/57/94/939875794.db2.gz ZHJPFVVZHGGCBN-RTBURBONSA-N 2 1 371.569 3.703 20 0 FHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548909387 939943849 /nfs/dbraw/zinc/94/38/49/939943849.db2.gz KAOCDTHFUOLIRO-MRXNPFEDSA-N 2 1 374.447 3.846 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480596 940062018 /nfs/dbraw/zinc/06/20/18/940062018.db2.gz UHXZOSHCIVMVOT-LAUBAEHRSA-N 2 1 356.489 3.592 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480596 940062020 /nfs/dbraw/zinc/06/20/20/940062020.db2.gz UHXZOSHCIVMVOT-LAUBAEHRSA-N 2 1 356.489 3.592 20 0 FHADMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc2c1OCCO2 ZINC000065976653 940134332 /nfs/dbraw/zinc/13/43/32/940134332.db2.gz VPAPLPHMIUCFLL-UHFFFAOYSA-N 2 1 370.493 3.596 20 0 FHADMP COCOc1ccc(OC)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000163541638 940184000 /nfs/dbraw/zinc/18/40/00/940184000.db2.gz SDWXEYMGPQKFCH-UHFFFAOYSA-N 2 1 370.493 3.564 20 0 FHADMP C[NH+](C)C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507526211 945302909 /nfs/dbraw/zinc/30/29/09/945302909.db2.gz LKWNBYIRLRAFQE-QPXUXIHVSA-N 2 1 363.549 3.790 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCO[C@@H]3CCCCO3)C2)s1 ZINC000570401337 940289480 /nfs/dbraw/zinc/28/94/80/940289480.db2.gz PBWJDEXPSRMBNA-UYAOXDASSA-N 2 1 366.571 3.744 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCO[C@@H]3CCCCO3)C2)s1 ZINC000570401337 940289481 /nfs/dbraw/zinc/28/94/81/940289481.db2.gz PBWJDEXPSRMBNA-UYAOXDASSA-N 2 1 366.571 3.744 20 0 FHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCO[C@@H]3CCCCO3)C2)s1 ZINC000570401337 940289484 /nfs/dbraw/zinc/28/94/84/940289484.db2.gz PBWJDEXPSRMBNA-UYAOXDASSA-N 2 1 366.571 3.744 20 0 FHADMP CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497431 940380093 /nfs/dbraw/zinc/38/00/93/940380093.db2.gz HNQSISCSNDHIGZ-PXNSSMCTSA-N 2 1 352.526 3.784 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497431 940380096 /nfs/dbraw/zinc/38/00/96/940380096.db2.gz HNQSISCSNDHIGZ-PXNSSMCTSA-N 2 1 352.526 3.784 20 0 FHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981451 940427165 /nfs/dbraw/zinc/42/71/65/940427165.db2.gz TWDKLOHYCLJLPO-IBGZPJMESA-N 2 1 354.542 3.853 20 0 FHADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)c2ccccc2C1 ZINC000376182614 940431622 /nfs/dbraw/zinc/43/16/22/940431622.db2.gz SEPXCYFVCNKEGU-QFIPXVFZSA-N 2 1 357.542 3.724 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760563 940478725 /nfs/dbraw/zinc/47/87/25/940478725.db2.gz XLUXEFMJMQLKTA-SIKLNZKXSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431760563 940478727 /nfs/dbraw/zinc/47/87/27/940478727.db2.gz XLUXEFMJMQLKTA-SIKLNZKXSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431760563 940478728 /nfs/dbraw/zinc/47/87/28/940478728.db2.gz XLUXEFMJMQLKTA-SIKLNZKXSA-N 2 1 371.569 3.799 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777272 940492720 /nfs/dbraw/zinc/49/27/20/940492720.db2.gz APZHCDIZHPXUSA-WOJBJXKFSA-N 2 1 373.541 3.638 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777272 940492722 /nfs/dbraw/zinc/49/27/22/940492722.db2.gz APZHCDIZHPXUSA-WOJBJXKFSA-N 2 1 373.541 3.638 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449074797 940497119 /nfs/dbraw/zinc/49/71/19/940497119.db2.gz CMNUEZPLVJYEJH-UHFFFAOYSA-N 2 1 350.359 3.562 20 0 FHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100869 940504485 /nfs/dbraw/zinc/50/44/85/940504485.db2.gz LOMQGKLAEWISNF-WSTZPKSXSA-N 2 1 352.526 3.781 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122364 940619597 /nfs/dbraw/zinc/61/95/97/940619597.db2.gz NWHUSYSQSFIEIR-PZJWPPBQSA-N 2 1 363.977 3.983 20 0 FHADMP CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000515409694 940656485 /nfs/dbraw/zinc/65/64/85/940656485.db2.gz GGPKZKJBVDGKKO-UHFFFAOYSA-N 2 1 354.420 3.529 20 0 FHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184867 940726840 /nfs/dbraw/zinc/72/68/40/940726840.db2.gz OOZLWACMNMDXKO-KGLIPLIRSA-N 2 1 372.294 3.674 20 0 FHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000414195898 940744893 /nfs/dbraw/zinc/74/48/93/940744893.db2.gz VDXADMGORSAGAY-KGLIPLIRSA-N 2 1 372.294 3.674 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221432 940792110 /nfs/dbraw/zinc/79/21/10/940792110.db2.gz KWWXSFIBFFHUSS-BPCBYJRWSA-N 2 1 350.506 3.799 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCO2 ZINC000160598441 940844773 /nfs/dbraw/zinc/84/47/73/940844773.db2.gz BPLAAMNTCCUXEI-QFIPXVFZSA-N 2 1 366.505 3.695 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H](C)C1 ZINC000414343799 941009295 /nfs/dbraw/zinc/00/92/95/941009295.db2.gz RBQRLBHKLLFCJL-UDDWMFPDSA-N 2 1 360.542 3.525 20 0 FHADMP CCOc1cccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000162267177 941015474 /nfs/dbraw/zinc/01/54/74/941015474.db2.gz URVFFIUGOIFGNC-INIZCTEOSA-N 2 1 354.498 3.812 20 0 FHADMP CN(C)c1[nH+]cc(CNc2ccccc2C[N@H+](C)C2CCCCC2)n1C ZINC000414360646 941050287 /nfs/dbraw/zinc/05/02/87/941050287.db2.gz NYDNAGWIHUCUNP-UHFFFAOYSA-N 2 1 355.530 3.863 20 0 FHADMP CN(C)c1[nH+]cc(CNc2ccccc2C[N@@H+](C)C2CCCCC2)n1C ZINC000414360646 941050290 /nfs/dbraw/zinc/05/02/90/941050290.db2.gz NYDNAGWIHUCUNP-UHFFFAOYSA-N 2 1 355.530 3.863 20 0 FHADMP COc1sc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647543832 941065813 /nfs/dbraw/zinc/06/58/13/941065813.db2.gz SOTXWDNBWLVCRU-STQMWFEESA-N 2 1 373.360 3.731 20 0 FHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892669054 941119724 /nfs/dbraw/zinc/11/97/24/941119724.db2.gz VBDVTHORYXIVMI-AWEZNQCLSA-N 2 1 353.532 3.917 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892669054 941119725 /nfs/dbraw/zinc/11/97/25/941119725.db2.gz VBDVTHORYXIVMI-AWEZNQCLSA-N 2 1 353.532 3.917 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000423501050 941124134 /nfs/dbraw/zinc/12/41/34/941124134.db2.gz AVALMYVFUQUZAI-NUVRTYOOSA-N 2 1 361.496 3.550 20 0 FHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000377300056 941128322 /nfs/dbraw/zinc/12/83/22/941128322.db2.gz SSCLILHSACHHOP-BZSNNMDCSA-N 2 1 356.432 3.598 20 0 FHADMP C[NH2+][C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1Cl ZINC000659291734 941150880 /nfs/dbraw/zinc/15/08/80/941150880.db2.gz MGPUYAHVULPTKN-DIFFPNOSSA-N 2 1 366.292 3.590 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000480686142 941236308 /nfs/dbraw/zinc/23/63/08/941236308.db2.gz BWJBNLZFHIDZNO-HSZRJFAPSA-N 2 1 367.512 3.740 20 0 FHADMP Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000647651181 941262982 /nfs/dbraw/zinc/26/29/82/941262982.db2.gz CPFAFFBQAFSWTD-NRFANRHFSA-N 2 1 366.509 3.594 20 0 FHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647651181 941262987 /nfs/dbraw/zinc/26/29/87/941262987.db2.gz CPFAFFBQAFSWTD-NRFANRHFSA-N 2 1 366.509 3.594 20 0 FHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000647651181 941262990 /nfs/dbraw/zinc/26/29/90/941262990.db2.gz CPFAFFBQAFSWTD-NRFANRHFSA-N 2 1 366.509 3.594 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000178845844 941310771 /nfs/dbraw/zinc/31/07/71/941310771.db2.gz IBXYWOIKADEODC-YSSFQJQWSA-N 2 1 354.498 3.656 20 0 FHADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000311866924 941405713 /nfs/dbraw/zinc/40/57/13/941405713.db2.gz YMZGYVGBCSKKCE-JOCHJYFZSA-N 2 1 354.494 3.706 20 0 FHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000376861191 941453857 /nfs/dbraw/zinc/45/38/57/941453857.db2.gz RNQRZVJWNAPHQV-BGTYHANMSA-N 2 1 356.432 3.597 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000518033612 941457045 /nfs/dbraw/zinc/45/70/45/941457045.db2.gz DFLKXHXFTAFQHV-LSDHHAIUSA-N 2 1 354.336 3.863 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000518033612 941457046 /nfs/dbraw/zinc/45/70/46/941457046.db2.gz DFLKXHXFTAFQHV-LSDHHAIUSA-N 2 1 354.336 3.863 20 0 FHADMP C[N@H+]1CC[C@@H](CNCc2c(F)cccc2N2CCCC2)[C@@H]1c1cccnc1 ZINC000376969777 941481125 /nfs/dbraw/zinc/48/11/25/941481125.db2.gz XKWPRTRBNNBSOA-AVRDEDQJSA-N 2 1 368.500 3.604 20 0 FHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000377084148 941511274 /nfs/dbraw/zinc/51/12/74/941511274.db2.gz QPXQZCGZFRYAMF-CYBMUJFWSA-N 2 1 364.415 3.669 20 0 FHADMP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047564 941564801 /nfs/dbraw/zinc/56/48/01/941564801.db2.gz DXXWYCAVBKISHA-NTFRLBIZSA-N 2 1 361.961 3.782 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058767 941571557 /nfs/dbraw/zinc/57/15/57/941571557.db2.gz WETWCIHSZSRMTK-WIYYLYMNSA-N 2 1 371.550 3.995 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415060222 941571957 /nfs/dbraw/zinc/57/19/57/941571957.db2.gz YMWIQZSWZFUEFK-DENIHFKCSA-N 2 1 351.494 3.625 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC000415118867 941614586 /nfs/dbraw/zinc/61/45/86/941614586.db2.gz DPYVKSZKDWYBAZ-ZFWWWQNUSA-N 2 1 361.288 3.851 20 0 FHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126033 941615342 /nfs/dbraw/zinc/61/53/42/941615342.db2.gz LWMRNFRGCQOBKX-UWJYYQICSA-N 2 1 369.557 3.550 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415128637 941623036 /nfs/dbraw/zinc/62/30/36/941623036.db2.gz SQEFUCSSVQVTFK-WMLDXEAASA-N 2 1 373.324 3.720 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415129333 941623149 /nfs/dbraw/zinc/62/31/49/941623149.db2.gz PGRDCMLWVXJSHN-FUHWJXTLSA-N 2 1 370.541 3.730 20 0 FHADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130418 941623583 /nfs/dbraw/zinc/62/35/83/941623583.db2.gz RAPGVMNTTZTUGC-PXNSSMCTSA-N 2 1 354.494 3.691 20 0 FHADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000472746211 941671508 /nfs/dbraw/zinc/67/15/08/941671508.db2.gz FWTNIUAYPITUPS-UHFFFAOYSA-N 2 1 351.966 3.967 20 0 FHADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000511522939 941704990 /nfs/dbraw/zinc/70/49/90/941704990.db2.gz DOZYLXGVDMQGBD-XDJHFCHBSA-N 2 1 360.542 3.715 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc12 ZINC000894209761 941716980 /nfs/dbraw/zinc/71/69/80/941716980.db2.gz WNTRGKUKYTWHQV-HNNXBMFYSA-N 2 1 356.495 3.595 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc12 ZINC000894209761 941716983 /nfs/dbraw/zinc/71/69/83/941716983.db2.gz WNTRGKUKYTWHQV-HNNXBMFYSA-N 2 1 356.495 3.595 20 0 FHADMP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729330070 941720437 /nfs/dbraw/zinc/72/04/37/941720437.db2.gz ICAZSSCAGLIUAL-IRLDBZIGSA-N 2 1 371.569 3.937 20 0 FHADMP C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C[NH+](C)C ZINC000314311249 941819762 /nfs/dbraw/zinc/81/97/62/941819762.db2.gz MIRHIHLKKMHLSE-JTQLQIEISA-N 2 1 369.225 3.635 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513329163 941854978 /nfs/dbraw/zinc/85/49/78/941854978.db2.gz BGPUARPWOJCIQN-VJBMBRPKSA-N 2 1 352.522 3.887 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513329163 941854981 /nfs/dbraw/zinc/85/49/81/941854981.db2.gz BGPUARPWOJCIQN-VJBMBRPKSA-N 2 1 352.522 3.887 20 0 FHADMP COCCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513410779 941894649 /nfs/dbraw/zinc/89/46/49/941894649.db2.gz GTTHYAHVXFMKRD-NRFANRHFSA-N 2 1 360.542 3.800 20 0 FHADMP COCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513410779 941894654 /nfs/dbraw/zinc/89/46/54/941894654.db2.gz GTTHYAHVXFMKRD-NRFANRHFSA-N 2 1 360.542 3.800 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000377693947 941907290 /nfs/dbraw/zinc/90/72/90/941907290.db2.gz DMXIOGXRXVTBOV-URZJWIJPSA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693947 941907294 /nfs/dbraw/zinc/90/72/94/941907294.db2.gz DMXIOGXRXVTBOV-URZJWIJPSA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693947 941907298 /nfs/dbraw/zinc/90/72/98/941907298.db2.gz DMXIOGXRXVTBOV-URZJWIJPSA-N 2 1 366.509 3.717 20 0 FHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991132 941939123 /nfs/dbraw/zinc/93/91/23/941939123.db2.gz PZCLUCMDTAMLSS-SIKLNZKXSA-N 2 1 356.485 3.751 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759606 941966290 /nfs/dbraw/zinc/96/62/90/941966290.db2.gz HLWOLCYACFTVAY-RBBKRZOGSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759606 941966293 /nfs/dbraw/zinc/96/62/93/941966293.db2.gz HLWOLCYACFTVAY-RBBKRZOGSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759606 941966297 /nfs/dbraw/zinc/96/62/97/941966297.db2.gz HLWOLCYACFTVAY-RBBKRZOGSA-N 2 1 373.500 3.894 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524284 941982233 /nfs/dbraw/zinc/98/22/33/941982233.db2.gz GGEGXFIOELDONT-KNKQGSTJSA-N 2 1 352.526 3.718 20 0 FHADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1O ZINC000513546740 942006233 /nfs/dbraw/zinc/00/62/33/942006233.db2.gz ZMLJNISPGPYCFK-YLJYHZDGSA-N 2 1 354.494 3.791 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1nccc2ccccc21 ZINC000377811956 942007247 /nfs/dbraw/zinc/00/72/47/942007247.db2.gz QZHBDFHBYWUFCE-MHYXUVESSA-N 2 1 353.510 3.775 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1nccc2ccccc21 ZINC000377811956 942007249 /nfs/dbraw/zinc/00/72/49/942007249.db2.gz QZHBDFHBYWUFCE-MHYXUVESSA-N 2 1 353.510 3.775 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414281726 942060210 /nfs/dbraw/zinc/06/02/10/942060210.db2.gz GOWFTURKHWFORJ-UHFFFAOYSA-N 2 1 357.464 3.521 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000415916165 942139369 /nfs/dbraw/zinc/13/93/69/942139369.db2.gz AXPPEDKMUOCKJA-SFHVURJKSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415912085 942145311 /nfs/dbraw/zinc/14/53/11/942145311.db2.gz ZUZWZRYVMVEZQG-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415912085 942145315 /nfs/dbraw/zinc/14/53/15/942145315.db2.gz ZUZWZRYVMVEZQG-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000415933414 942158824 /nfs/dbraw/zinc/15/88/24/942158824.db2.gz PGAXPOJMTCELOS-UHFFFAOYSA-N 2 1 366.509 3.582 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415926941 942164111 /nfs/dbraw/zinc/16/41/11/942164111.db2.gz BZLXYIHMUIUMAK-QZTJIDSGSA-N 2 1 366.509 3.533 20 0 FHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431855942 942193565 /nfs/dbraw/zinc/19/35/65/942193565.db2.gz CTPKVIQDFXHZNM-FGZHOGPDSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431855942 942193567 /nfs/dbraw/zinc/19/35/67/942193567.db2.gz CTPKVIQDFXHZNM-FGZHOGPDSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431855942 942193568 /nfs/dbraw/zinc/19/35/68/942193568.db2.gz CTPKVIQDFXHZNM-FGZHOGPDSA-N 2 1 371.569 3.622 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000415954876 942196740 /nfs/dbraw/zinc/19/67/40/942196740.db2.gz HDKTYKUZPUJRLN-RTBURBONSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000415954876 942196743 /nfs/dbraw/zinc/19/67/43/942196743.db2.gz HDKTYKUZPUJRLN-RTBURBONSA-N 2 1 372.900 3.626 20 0 FHADMP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420912998 942251510 /nfs/dbraw/zinc/25/15/10/942251510.db2.gz AMECGJXOVXONGY-QGZVFWFLSA-N 2 1 356.432 3.682 20 0 FHADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420912998 942251514 /nfs/dbraw/zinc/25/15/14/942251514.db2.gz AMECGJXOVXONGY-QGZVFWFLSA-N 2 1 356.432 3.682 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ncsc2c1 ZINC000420923183 942255724 /nfs/dbraw/zinc/25/57/24/942255724.db2.gz PPMJJHHOWAKXOL-INIZCTEOSA-N 2 1 367.518 3.979 20 0 FHADMP CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025572 942268440 /nfs/dbraw/zinc/26/84/40/942268440.db2.gz QITHRDNTFUNHRP-NRFANRHFSA-N 2 1 367.493 3.534 20 0 FHADMP CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025572 942268445 /nfs/dbraw/zinc/26/84/45/942268445.db2.gz QITHRDNTFUNHRP-NRFANRHFSA-N 2 1 367.493 3.534 20 0 FHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040454 942270686 /nfs/dbraw/zinc/27/06/86/942270686.db2.gz ZYIGKXDYMWCMLH-UTRMSSBJSA-N 2 1 370.459 3.992 20 0 FHADMP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045732 942273252 /nfs/dbraw/zinc/27/32/52/942273252.db2.gz JZYTVKXPUHRMKF-LJQANCHMSA-N 2 1 374.573 3.561 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051741 942276919 /nfs/dbraw/zinc/27/69/19/942276919.db2.gz FSOWDSOWWPALEJ-FQEVSTJZSA-N 2 1 361.549 3.811 20 0 FHADMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCc2cccnc21 ZINC000501054193 942280458 /nfs/dbraw/zinc/28/04/58/942280458.db2.gz WWGAIJZEVLPVRR-QFIPXVFZSA-N 2 1 372.601 3.833 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000502270110 942322008 /nfs/dbraw/zinc/32/20/08/942322008.db2.gz QLFONQXJQZYZSH-XQBPLPMBSA-N 2 1 372.553 3.735 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccsc21 ZINC000501195338 942345916 /nfs/dbraw/zinc/34/59/16/942345916.db2.gz MYHZXVKXBMHDFE-KRWDZBQOSA-N 2 1 374.554 3.781 20 0 FHADMP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000419695334 942354365 /nfs/dbraw/zinc/35/43/65/942354365.db2.gz RVUZIOGTOHONSO-QLFBSQMISA-N 2 1 354.325 3.789 20 0 FHADMP Cc1ccc(-c2ccc(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)o2)cc1 ZINC000237164588 942363776 /nfs/dbraw/zinc/36/37/76/942363776.db2.gz YSKWTCBMSSYVDA-UHFFFAOYSA-N 2 1 355.526 3.618 20 0 FHADMP COc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000180459987 942371344 /nfs/dbraw/zinc/37/13/44/942371344.db2.gz NHBVURSDHRZUJU-UHFFFAOYSA-N 2 1 363.505 3.973 20 0 FHADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042653 942388822 /nfs/dbraw/zinc/38/88/22/942388822.db2.gz XDDCTPMELMMYIN-KNQAVFIVSA-N 2 1 356.485 3.751 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501358978 942432142 /nfs/dbraw/zinc/43/21/42/942432142.db2.gz BVYNVLISQTYFBS-FKBYEOEOSA-N 2 1 371.569 3.666 20 0 FHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000502416170 942432293 /nfs/dbraw/zinc/43/22/93/942432293.db2.gz ORPGQNPPBJLBQQ-RBUKOAKNSA-N 2 1 362.558 3.901 20 0 FHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000502416168 942432455 /nfs/dbraw/zinc/43/24/55/942432455.db2.gz ORPGQNPPBJLBQQ-MOPGFXCFSA-N 2 1 362.558 3.901 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168460 942435849 /nfs/dbraw/zinc/43/58/49/942435849.db2.gz YFYXLVQLYHFLFK-RZUBCFFCSA-N 2 1 371.569 3.792 20 0 FHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501419503 942467481 /nfs/dbraw/zinc/46/74/81/942467481.db2.gz GXSVORPYHMNLNT-CVDCTZTESA-N 2 1 365.521 3.730 20 0 FHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501419507 942467592 /nfs/dbraw/zinc/46/75/92/942467592.db2.gz GXSVORPYHMNLNT-XXBNENTESA-N 2 1 365.521 3.730 20 0 FHADMP C[NH+](C)[C@@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)c1ccccc1 ZINC000416196480 942472752 /nfs/dbraw/zinc/47/27/52/942472752.db2.gz WVGDCURSOBUVHM-QFIPXVFZSA-N 2 1 365.521 3.955 20 0 FHADMP COCC[NH+]1CCC([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501476207 942501423 /nfs/dbraw/zinc/50/14/23/942501423.db2.gz KIEKNVXVYMBLCR-UHFFFAOYSA-N 2 1 374.475 3.797 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832542 942505640 /nfs/dbraw/zinc/50/56/40/942505640.db2.gz DSWYTYAILLJXCD-KBXCAEBGSA-N 2 1 351.922 3.863 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832547 942506055 /nfs/dbraw/zinc/50/60/55/942506055.db2.gz DSWYTYAILLJXCD-KSSFIOAISA-N 2 1 351.922 3.863 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCCC1 ZINC000414836788 942529052 /nfs/dbraw/zinc/52/90/52/942529052.db2.gz GJRGAAOGUHNATD-UHFFFAOYSA-N 2 1 361.493 3.686 20 0 FHADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501550985 942544549 /nfs/dbraw/zinc/54/45/49/942544549.db2.gz MASNOVCGTPWLNW-XJKSGUPXSA-N 2 1 353.304 3.737 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501550985 942544553 /nfs/dbraw/zinc/54/45/53/942544553.db2.gz MASNOVCGTPWLNW-XJKSGUPXSA-N 2 1 353.304 3.737 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000420298663 942608664 /nfs/dbraw/zinc/60/86/64/942608664.db2.gz FNQNCKHGRPAQMR-ZDUSSCGKSA-N 2 1 369.328 3.694 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299988 942609829 /nfs/dbraw/zinc/60/98/29/942609829.db2.gz GYCRIVAITYXTMZ-CXAGYDPISA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299988 942609836 /nfs/dbraw/zinc/60/98/36/942609836.db2.gz GYCRIVAITYXTMZ-CXAGYDPISA-N 2 1 370.324 3.786 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000420315688 942618067 /nfs/dbraw/zinc/61/80/67/942618067.db2.gz XFAUQHWIVKJJSI-HOCLYGCPSA-N 2 1 351.450 3.673 20 0 FHADMP COc1cc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420318249 942620433 /nfs/dbraw/zinc/62/04/33/942620433.db2.gz OETKHIIDHWFPFL-AWEZNQCLSA-N 2 1 354.441 3.651 20 0 FHADMP Clc1cc(Cl)c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cn2c1 ZINC000420336561 942622306 /nfs/dbraw/zinc/62/23/06/942622306.db2.gz MGJXPHMCFUALDQ-MRXNPFEDSA-N 2 1 353.297 3.605 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338308 942623123 /nfs/dbraw/zinc/62/31/23/942623123.db2.gz KPUHHMMAXAUJBZ-SFTDATJTSA-N 2 1 363.505 3.760 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000420325406 942628598 /nfs/dbraw/zinc/62/85/98/942628598.db2.gz WCDLIKOLYZAZFQ-LSDHHAIUSA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000420325404 942628927 /nfs/dbraw/zinc/62/89/27/942628927.db2.gz WCDLIKOLYZAZFQ-GJZGRUSLSA-N 2 1 351.450 3.673 20 0 FHADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420362745 942640189 /nfs/dbraw/zinc/64/01/89/942640189.db2.gz ISQCGQANPMMJBQ-MRXNPFEDSA-N 2 1 358.313 3.819 20 0 FHADMP Cn1nc(CCC[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000502683048 942656689 /nfs/dbraw/zinc/65/66/89/942656689.db2.gz LSIPGLVBJFOVHZ-FQEVSTJZSA-N 2 1 358.505 3.575 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000414845523 942660000 /nfs/dbraw/zinc/66/00/00/942660000.db2.gz MDHANNLXUOHJLG-LJQANCHMSA-N 2 1 369.900 3.834 20 0 FHADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420403506 942662909 /nfs/dbraw/zinc/66/29/09/942662909.db2.gz LAGJBEOQAJNBDW-MJGOQNOKSA-N 2 1 351.494 3.599 20 0 FHADMP Cc1nccn1CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000502717462 942680621 /nfs/dbraw/zinc/68/06/21/942680621.db2.gz ANAKDOLXLMADPL-UHFFFAOYSA-N 2 1 366.553 3.960 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502717462 942680627 /nfs/dbraw/zinc/68/06/27/942680627.db2.gz ANAKDOLXLMADPL-UHFFFAOYSA-N 3 1 366.553 3.960 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000502717462 942680633 /nfs/dbraw/zinc/68/06/33/942680633.db2.gz ANAKDOLXLMADPL-UHFFFAOYSA-N 3 1 366.553 3.960 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000378398790 942717422 /nfs/dbraw/zinc/71/74/22/942717422.db2.gz DTFRYGQCGCWJJW-UYAOXDASSA-N 2 1 352.469 3.773 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCCO[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081641 942733076 /nfs/dbraw/zinc/73/30/76/942733076.db2.gz CSWSQXOIEHMSGX-DNVJHFABSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081641 942733080 /nfs/dbraw/zinc/73/30/80/942733080.db2.gz CSWSQXOIEHMSGX-DNVJHFABSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081641 942733083 /nfs/dbraw/zinc/73/30/83/942733083.db2.gz CSWSQXOIEHMSGX-DNVJHFABSA-N 2 1 372.553 3.906 20 0 FHADMP CN(C)c1ncccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000514087964 942738274 /nfs/dbraw/zinc/73/82/74/942738274.db2.gz JMJUIGLPUPPDHB-UHFFFAOYSA-N 2 1 352.526 3.680 20 0 FHADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659994151 942806219 /nfs/dbraw/zinc/80/62/19/942806219.db2.gz SJKJGBVWYBSVGL-KRWDZBQOSA-N 2 1 359.549 3.796 20 0 FHADMP CC[C@@H](CC(F)F)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659994151 942806228 /nfs/dbraw/zinc/80/62/28/942806228.db2.gz SJKJGBVWYBSVGL-KRWDZBQOSA-N 3 1 359.549 3.796 20 0 FHADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659994151 942806235 /nfs/dbraw/zinc/80/62/35/942806235.db2.gz SJKJGBVWYBSVGL-KRWDZBQOSA-N 3 1 359.549 3.796 20 0 FHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C3(OC)CCCCC3)CCCC2)CC1 ZINC000421830784 942836988 /nfs/dbraw/zinc/83/69/88/942836988.db2.gz KHSKLBGICIBXFX-GOSISDBHSA-N 2 1 352.563 3.737 20 0 FHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425154065 942880409 /nfs/dbraw/zinc/88/04/09/942880409.db2.gz GSXRAVIKRWSQPY-PMACEKPBSA-N 2 1 368.525 3.703 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000430087069 942882259 /nfs/dbraw/zinc/88/22/59/942882259.db2.gz FZXFJBAGSZOLNU-QFIPXVFZSA-N 2 1 364.537 3.807 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000430087069 942882265 /nfs/dbraw/zinc/88/22/65/942882265.db2.gz FZXFJBAGSZOLNU-QFIPXVFZSA-N 2 1 364.537 3.807 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)oc1C ZINC000503044892 942936645 /nfs/dbraw/zinc/93/66/45/942936645.db2.gz OMAFTRWFSFLESI-NHCUHLMSSA-N 2 1 353.510 3.897 20 0 FHADMP C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363886961 942963406 /nfs/dbraw/zinc/96/34/06/942963406.db2.gz JZYWONYCMLUOPC-IBGZPJMESA-N 2 1 372.538 3.738 20 0 FHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000503197941 943047313 /nfs/dbraw/zinc/04/73/13/943047313.db2.gz JTFKGYIMAPPQMT-XKGZKEIXSA-N 2 1 366.571 3.641 20 0 FHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000271861049 943062117 /nfs/dbraw/zinc/06/21/17/943062117.db2.gz KMQCDBFXDXUDCC-VQIMIIECSA-N 2 1 362.489 3.686 20 0 FHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886406 943065663 /nfs/dbraw/zinc/06/56/63/943065663.db2.gz QUFSUOFBAYTKIC-NSHDSACASA-N 2 1 362.367 3.802 20 0 FHADMP COCCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000271896417 943067308 /nfs/dbraw/zinc/06/73/08/943067308.db2.gz UDEFNFQDNIUMNR-SFHVURJKSA-N 2 1 367.331 3.768 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCSC(C)(C)CC1)C1CC[NH+](C)CC1 ZINC000435039838 943106965 /nfs/dbraw/zinc/10/69/65/943106965.db2.gz JIEOEGYARYUXCK-UHFFFAOYSA-N 2 1 361.599 3.935 20 0 FHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000414658713 943125453 /nfs/dbraw/zinc/12/54/53/943125453.db2.gz RHLOFGUQULPCIA-LBPRGKRZSA-N 2 1 351.313 3.958 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272282208 943128506 /nfs/dbraw/zinc/12/85/06/943128506.db2.gz AETDEWCUPIGNND-QFIPXVFZSA-N 2 1 359.533 3.769 20 0 FHADMP COc1cc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OC ZINC000435062103 943135191 /nfs/dbraw/zinc/13/51/91/943135191.db2.gz WUWQTMMLLRNEPE-UHFFFAOYSA-N 2 1 369.509 3.925 20 0 FHADMP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361835 943143242 /nfs/dbraw/zinc/14/32/42/943143242.db2.gz SGLSARDCRAURIW-TZIWHRDSSA-N 2 1 355.570 3.894 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361835 943143247 /nfs/dbraw/zinc/14/32/47/943143247.db2.gz SGLSARDCRAURIW-TZIWHRDSSA-N 3 1 355.570 3.894 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361835 943143250 /nfs/dbraw/zinc/14/32/50/943143250.db2.gz SGLSARDCRAURIW-TZIWHRDSSA-N 3 1 355.570 3.894 20 0 FHADMP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392771 943149218 /nfs/dbraw/zinc/14/92/18/943149218.db2.gz YFIASHPIRTXXAX-PKOBYXMFSA-N 2 1 370.566 3.612 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000514634324 943166101 /nfs/dbraw/zinc/16/61/01/943166101.db2.gz FGYKMMNGJOBIOD-OXQOHEQNSA-N 2 1 368.477 3.649 20 0 FHADMP FC(F)(F)CC[NH+]1CCC(NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000272699032 943204291 /nfs/dbraw/zinc/20/42/91/943204291.db2.gz SSWFFPBLIGMBFU-IBGZPJMESA-N 2 1 369.475 3.830 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733774 943211792 /nfs/dbraw/zinc/21/17/92/943211792.db2.gz JHUWWUBRWTZTHQ-FGZHOGPDSA-N 2 1 354.469 3.633 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272743891 943213338 /nfs/dbraw/zinc/21/33/38/943213338.db2.gz BKNNRYSNXZCJSD-FXAWDEMLSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272743891 943213343 /nfs/dbraw/zinc/21/33/43/943213343.db2.gz BKNNRYSNXZCJSD-FXAWDEMLSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000422631201 943214262 /nfs/dbraw/zinc/21/42/62/943214262.db2.gz FGBTUEVJRHHYCI-FUHIMQAGSA-N 2 1 351.494 3.744 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422730691 943248953 /nfs/dbraw/zinc/24/89/53/943248953.db2.gz FFRZWLHUDPZDMS-WZONZLPQSA-N 2 1 366.553 3.973 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422726235 943260835 /nfs/dbraw/zinc/26/08/35/943260835.db2.gz ZKBADPGFKAMHFO-WZONZLPQSA-N 2 1 361.489 3.709 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757792 943262567 /nfs/dbraw/zinc/26/25/67/943262567.db2.gz IYZXRTXOKMVNOL-QNDJGXFYSA-N 2 1 369.475 3.818 20 0 FHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505636931 943270835 /nfs/dbraw/zinc/27/08/35/943270835.db2.gz QEYFOLVIKRVTCE-YSSFQJQWSA-N 2 1 373.928 3.750 20 0 FHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000505636919 943270973 /nfs/dbraw/zinc/27/09/73/943270973.db2.gz QEYFOLVIKRVTCE-CWFSZBLJSA-N 2 1 373.928 3.750 20 0 FHADMP C[C@H]([NH2+]CCCc1ccc(Br)cc1F)c1c[nH+]ccc1N ZINC000422753110 943272475 /nfs/dbraw/zinc/27/24/75/943272475.db2.gz DPWDNHPBLTXPIR-NSHDSACASA-N 2 1 352.251 3.679 20 0 FHADMP COc1ncc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1Cl ZINC000367438379 943273812 /nfs/dbraw/zinc/27/38/12/943273812.db2.gz MQACQMLYEFZOGX-CQSZACIVSA-N 2 1 360.889 3.767 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765697 943285361 /nfs/dbraw/zinc/28/53/61/943285361.db2.gz RBFOXJDFADBZDD-RWQQGDIJSA-N 2 1 369.475 3.805 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765697 943285367 /nfs/dbraw/zinc/28/53/67/943285367.db2.gz RBFOXJDFADBZDD-RWQQGDIJSA-N 2 1 369.475 3.805 20 0 FHADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295740 943290035 /nfs/dbraw/zinc/29/00/35/943290035.db2.gz JEDVVYFZFHOMGW-QGZVFWFLSA-N 2 1 360.395 3.685 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000514801300 943300958 /nfs/dbraw/zinc/30/09/58/943300958.db2.gz XMBFVTJGNONPHT-UHFFFAOYSA-N 2 1 356.489 3.638 20 0 FHADMP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700996 943313689 /nfs/dbraw/zinc/31/36/89/943313689.db2.gz JWNQRYVFZSVYJX-IEBWSBKVSA-N 2 1 371.550 3.509 20 0 FHADMP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422885457 943317492 /nfs/dbraw/zinc/31/74/92/943317492.db2.gz YRYKXJWUHYWHEW-CXAGYDPISA-N 2 1 357.325 3.772 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCCC[C@@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422886550 943318258 /nfs/dbraw/zinc/31/82/58/943318258.db2.gz WXLOJGWCKPLPSE-BWAGFHJFSA-N 2 1 359.558 3.733 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887561 943318934 /nfs/dbraw/zinc/31/89/34/943318934.db2.gz BGGJFWMLBSNJGX-WOJBJXKFSA-N 2 1 355.457 3.828 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422890411 943319604 /nfs/dbraw/zinc/31/96/04/943319604.db2.gz RXJXBLATFPGPSY-WKUQZLKGSA-N 3 1 366.553 3.656 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422890411 943319607 /nfs/dbraw/zinc/31/96/07/943319607.db2.gz RXJXBLATFPGPSY-WKUQZLKGSA-N 2 1 366.553 3.656 20 0 FHADMP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422869456 943320688 /nfs/dbraw/zinc/32/06/88/943320688.db2.gz ACUKQNXEJCVYHT-QHAWAJNXSA-N 2 1 360.542 3.811 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422901091 943324374 /nfs/dbraw/zinc/32/43/74/943324374.db2.gz BJORKSOIEPCCLC-MAUKXSAKSA-N 2 1 358.917 3.853 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422902876 943325716 /nfs/dbraw/zinc/32/57/16/943325716.db2.gz DVONXGPXDSWQAA-AMZGXZFVSA-N 2 1 364.537 3.695 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422902876 943325721 /nfs/dbraw/zinc/32/57/21/943325721.db2.gz DVONXGPXDSWQAA-AMZGXZFVSA-N 3 1 364.537 3.695 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422902876 943325725 /nfs/dbraw/zinc/32/57/25/943325725.db2.gz DVONXGPXDSWQAA-AMZGXZFVSA-N 3 1 364.537 3.695 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422902877 943326007 /nfs/dbraw/zinc/32/60/07/943326007.db2.gz DVONXGPXDSWQAA-IRFPFTSISA-N 2 1 364.537 3.695 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422902877 943326012 /nfs/dbraw/zinc/32/60/12/943326012.db2.gz DVONXGPXDSWQAA-IRFPFTSISA-N 3 1 364.537 3.695 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422902877 943326013 /nfs/dbraw/zinc/32/60/13/943326013.db2.gz DVONXGPXDSWQAA-IRFPFTSISA-N 3 1 364.537 3.695 20 0 FHADMP Cc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422922628 943332848 /nfs/dbraw/zinc/33/28/48/943332848.db2.gz QIOSCNBIKLUKIN-CBGDNZLLSA-N 2 1 374.550 3.512 20 0 FHADMP Cc1csc(C2([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)n1 ZINC000422940387 943338939 /nfs/dbraw/zinc/33/89/39/943338939.db2.gz NCZAQGCZKYKLHW-QFBILLFUSA-N 2 1 355.507 3.676 20 0 FHADMP CCC[N@@H+](Cc1cncn1C(C)C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000425342017 943339058 /nfs/dbraw/zinc/33/90/58/943339058.db2.gz YBWKMZMZHZOWBK-UHFFFAOYSA-N 2 1 370.545 3.752 20 0 FHADMP CCC[N@H+](Cc1cncn1C(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000425342017 943339063 /nfs/dbraw/zinc/33/90/63/943339063.db2.gz YBWKMZMZHZOWBK-UHFFFAOYSA-N 2 1 370.545 3.752 20 0 FHADMP CCC[N@@H+](Cc1cncn1C(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000425342017 943339070 /nfs/dbraw/zinc/33/90/70/943339070.db2.gz YBWKMZMZHZOWBK-UHFFFAOYSA-N 2 1 370.545 3.752 20 0 FHADMP C[C@H](CC[N@H+]1CC[C@@H](c2ccncc2)C1)[NH+]1CC[C@H](c2ccncc2)C1 ZINC000584662850 943340035 /nfs/dbraw/zinc/34/00/35/943340035.db2.gz MWSVKRRENFQTHX-QIJUGHKUSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccncc2)C1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000584662850 943340038 /nfs/dbraw/zinc/34/00/38/943340038.db2.gz MWSVKRRENFQTHX-QIJUGHKUSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccncc2)C1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000584662850 943340042 /nfs/dbraw/zinc/34/00/42/943340042.db2.gz MWSVKRRENFQTHX-QIJUGHKUSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422918908 943341729 /nfs/dbraw/zinc/34/17/29/943341729.db2.gz IXFABADBTFBXGU-KDXIVRHGSA-N 2 1 357.542 3.630 20 0 FHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000414707456 943344406 /nfs/dbraw/zinc/34/44/06/943344406.db2.gz HYWGIIMEPVEKLH-IRXDYDNUSA-N 2 1 358.530 3.665 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1)C1CCCCC1 ZINC000414708845 943351614 /nfs/dbraw/zinc/35/16/14/943351614.db2.gz JIXJLNHBKKQPHT-NRFANRHFSA-N 2 1 358.530 3.654 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435374239 943355983 /nfs/dbraw/zinc/35/59/83/943355983.db2.gz XAFOIUMMWVZLJP-RDTXWAMCSA-N 2 1 360.933 3.761 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435375094 943356779 /nfs/dbraw/zinc/35/67/79/943356779.db2.gz ZOHBCXJHYXLTSU-APWZRJJASA-N 2 1 367.493 3.507 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423003284 943361450 /nfs/dbraw/zinc/36/14/50/943361450.db2.gz HHFBAHLYJCOTLU-DNVJHFABSA-N 3 1 367.537 3.922 20 0 FHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423003284 943361454 /nfs/dbraw/zinc/36/14/54/943361454.db2.gz HHFBAHLYJCOTLU-DNVJHFABSA-N 2 1 367.537 3.922 20 0 FHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423012604 943364792 /nfs/dbraw/zinc/36/47/92/943364792.db2.gz LEAXODMZVHNUEL-VNTMZGSJSA-N 2 1 359.876 3.959 20 0 FHADMP Cc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000435377216 943366280 /nfs/dbraw/zinc/36/62/80/943366280.db2.gz ZFTTZJANLUUNRM-HXUWFJFHSA-N 2 1 371.550 3.995 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1c[nH+]ccc1N ZINC000423022243 943366998 /nfs/dbraw/zinc/36/69/98/943366998.db2.gz HFCRBPGLJNIPIO-PTAUBWNISA-N 2 1 362.880 3.630 20 0 FHADMP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423034145 943372768 /nfs/dbraw/zinc/37/27/68/943372768.db2.gz PLTPSGYKVYTRBF-NJYVYQBISA-N 2 1 363.505 3.541 20 0 FHADMP COc1cc(Br)ccc1CCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423036982 943373233 /nfs/dbraw/zinc/37/32/33/943373233.db2.gz VFIBRQUDCHRCLU-GFCCVEGCSA-N 2 1 364.287 3.549 20 0 FHADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414713289 943373932 /nfs/dbraw/zinc/37/39/32/943373932.db2.gz ONLHBQHBMSQJOG-IAGOWNOFSA-N 2 1 358.530 3.652 20 0 FHADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423059720 943378331 /nfs/dbraw/zinc/37/83/31/943378331.db2.gz MUKGWRUNXDZSPZ-PILAGYSTSA-N 2 1 356.432 3.556 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423066155 943380031 /nfs/dbraw/zinc/38/00/31/943380031.db2.gz WEQWPRRJPUUIGG-QRWLVFNGSA-N 2 1 355.913 3.922 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435396505 943390492 /nfs/dbraw/zinc/39/04/92/943390492.db2.gz WKNRCMYRYZHSQS-QGZVFWFLSA-N 2 1 360.523 3.767 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435396505 943390495 /nfs/dbraw/zinc/39/04/95/943390495.db2.gz WKNRCMYRYZHSQS-QGZVFWFLSA-N 2 1 360.523 3.767 20 0 FHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097761 943393261 /nfs/dbraw/zinc/39/32/61/943393261.db2.gz BIGWTBACRNCIBD-ICSRJNTNSA-N 2 1 359.558 3.560 20 0 FHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097763 943393481 /nfs/dbraw/zinc/39/34/81/943393481.db2.gz BIGWTBACRNCIBD-UYAOXDASSA-N 2 1 359.558 3.560 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423120445 943397104 /nfs/dbraw/zinc/39/71/04/943397104.db2.gz GRQJFVBKRZMEML-KFKAGJAMSA-N 2 1 350.428 3.956 20 0 FHADMP Fc1cccc(CCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000503918014 943408212 /nfs/dbraw/zinc/40/82/12/943408212.db2.gz NZPXXSIDWFOKTM-SFHVURJKSA-N 2 1 359.514 3.859 20 0 FHADMP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423136620 943415851 /nfs/dbraw/zinc/41/58/51/943415851.db2.gz VJDHWRSHKVKQKH-WWMYMODYSA-N 2 1 372.415 3.634 20 0 FHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435439029 943418031 /nfs/dbraw/zinc/41/80/31/943418031.db2.gz SOYHGUHVIWJLIL-GFCCVEGCSA-N 2 1 363.246 3.624 20 0 FHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423143896 943419341 /nfs/dbraw/zinc/41/93/41/943419341.db2.gz FJZQEBIXXUZZLP-NCYKPQTJSA-N 2 1 361.599 3.912 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc2c(s1)CCC2 ZINC000423158845 943420981 /nfs/dbraw/zinc/42/09/81/943420981.db2.gz DOPPMSDJKCGQOJ-ZSOFBXJNSA-N 2 1 355.507 3.538 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](CCc2nc(C(C)=O)c(C)[nH]2)CC1)CC(C)C ZINC000660171770 943433728 /nfs/dbraw/zinc/43/37/28/943433728.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 2 1 362.562 3.543 20 0 FHADMP CC[N@H+](CCC1CC[NH+](CCc2nc(C)c(C(C)=O)[nH]2)CC1)CC(C)C ZINC000660171770 943433734 /nfs/dbraw/zinc/43/37/34/943433734.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 2 1 362.562 3.543 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](CCc2nc(C)c(C(C)=O)[nH]2)CC1)CC(C)C ZINC000660171770 943433740 /nfs/dbraw/zinc/43/37/40/943433740.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 2 1 362.562 3.543 20 0 FHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194047 943437583 /nfs/dbraw/zinc/43/75/83/943437583.db2.gz YDXGGVAGYRLEBJ-SFHVURJKSA-N 2 1 360.299 3.601 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000423221620 943448342 /nfs/dbraw/zinc/44/83/42/943448342.db2.gz XDSINJJPHNQBGO-WOPDTQHZSA-N 2 1 364.383 3.928 20 0 FHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423261259 943454148 /nfs/dbraw/zinc/45/41/48/943454148.db2.gz JGPAYKKCYZRKBR-UZLBHIALSA-N 2 1 356.514 3.557 20 0 FHADMP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414727422 943457527 /nfs/dbraw/zinc/45/75/27/943457527.db2.gz BCMZHDJBPSMHFG-GJZGRUSLSA-N 2 1 371.447 3.742 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000423252631 943460124 /nfs/dbraw/zinc/46/01/24/943460124.db2.gz XXBGKZXPWODVHM-QIJUGHKUSA-N 2 1 361.574 3.536 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000423252630 943460219 /nfs/dbraw/zinc/46/02/19/943460219.db2.gz XXBGKZXPWODVHM-NYVOZVTQSA-N 2 1 361.574 3.536 20 0 FHADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423279461 943469694 /nfs/dbraw/zinc/46/96/94/943469694.db2.gz RYEDSTMFCJCNGO-OXQOHEQNSA-N 2 1 352.482 3.547 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1 ZINC000423317323 943473931 /nfs/dbraw/zinc/47/39/31/943473931.db2.gz ARHNZLUEHVOREN-ZOCIIQOWSA-N 2 1 352.469 3.944 20 0 FHADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)cc1C(F)(F)F ZINC000423315852 943474125 /nfs/dbraw/zinc/47/41/25/943474125.db2.gz BCFBJCPLUUMBAI-VIFPVBQESA-N 2 1 351.210 4.000 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423319818 943474642 /nfs/dbraw/zinc/47/46/42/943474642.db2.gz FOKRNTABQJHDDW-OQPBUACISA-N 2 1 362.109 3.526 20 0 FHADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423325454 943480738 /nfs/dbraw/zinc/48/07/38/943480738.db2.gz JSUHBAWLZCKPRF-APPDUMDISA-N 2 1 364.383 3.930 20 0 FHADMP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414733830 943482138 /nfs/dbraw/zinc/48/21/38/943482138.db2.gz KGSOCUWSMFLBTP-UONOGXRCSA-N 2 1 362.905 3.589 20 0 FHADMP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423350649 943487218 /nfs/dbraw/zinc/48/72/18/943487218.db2.gz GLBSHBLYVRZHQX-KRWDZBQOSA-N 2 1 365.246 3.780 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423359232 943490509 /nfs/dbraw/zinc/49/05/09/943490509.db2.gz CZOFWDBTJYBOEB-GXFFZTMASA-N 2 1 366.328 3.887 20 0 FHADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C(C)C)c(Br)c1 ZINC000423385274 943497833 /nfs/dbraw/zinc/49/78/33/943497833.db2.gz QRWVGWHJXFOKEG-IIYDPXPESA-N 2 1 355.320 3.885 20 0 FHADMP C[N@H+]1CCC[C@H](CNCc2c[nH]cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281442 943508092 /nfs/dbraw/zinc/50/80/92/943508092.db2.gz UUCVOCIODGNVCA-PBHICJAKSA-N 2 1 352.404 3.601 20 0 FHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148398 943524082 /nfs/dbraw/zinc/52/40/82/943524082.db2.gz VWCPJVLTDHESQK-UYAOXDASSA-N 2 1 374.573 3.502 20 0 FHADMP CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435626473 943526952 /nfs/dbraw/zinc/52/69/52/943526952.db2.gz KQUMXCOXIAQRGK-AWEZNQCLSA-N 2 1 358.313 3.786 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423495330 943536872 /nfs/dbraw/zinc/53/68/72/943536872.db2.gz BSRNTSGSZWBQEV-QTGUNEKASA-N 2 1 351.538 3.749 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496110 943537853 /nfs/dbraw/zinc/53/78/53/943537853.db2.gz DFUOXKXZQMKPIC-VGOFRKELSA-N 2 1 355.526 3.540 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000423512595 943541531 /nfs/dbraw/zinc/54/15/31/943541531.db2.gz OUBGHERASWOQAD-IVMQYODDSA-N 2 1 370.566 3.677 20 0 FHADMP Cc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423520585 943544755 /nfs/dbraw/zinc/54/47/55/943544755.db2.gz RNGMDUVUERIGHL-VHYCJAOWSA-N 2 1 363.549 3.890 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1Cl ZINC000423522222 943545410 /nfs/dbraw/zinc/54/54/10/943545410.db2.gz UFBWNMBLXJDETO-WLYUNCDWSA-N 2 1 356.341 3.860 20 0 FHADMP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423575117 943561583 /nfs/dbraw/zinc/56/15/83/943561583.db2.gz PWNYFYGKJMEVJF-INIZCTEOSA-N 2 1 359.464 3.609 20 0 FHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753023 943573648 /nfs/dbraw/zinc/57/36/48/943573648.db2.gz CXLVJBGVKPAWTB-IOASZLSFSA-N 2 1 353.304 3.593 20 0 FHADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753025 943573988 /nfs/dbraw/zinc/57/39/88/943573988.db2.gz CXLVJBGVKPAWTB-WWGRRREGSA-N 2 1 353.304 3.593 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000515239407 943590682 /nfs/dbraw/zinc/59/06/82/943590682.db2.gz DYKNEPLCKAMILB-HKBOAZHASA-N 2 1 355.526 3.778 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424111155 943736404 /nfs/dbraw/zinc/73/64/04/943736404.db2.gz FVNCHMAPUXLHMW-YLJYHZDGSA-N 2 1 357.542 3.550 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000414904183 943800457 /nfs/dbraw/zinc/80/04/57/943800457.db2.gz NBVFGFJAZKKGDU-LPHOPBHVSA-N 2 1 369.513 3.788 20 0 FHADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000424267042 943814266 /nfs/dbraw/zinc/81/42/66/943814266.db2.gz LUZJNUSASVDJOQ-UHFFFAOYSA-N 2 1 358.526 3.882 20 0 FHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873184 943837861 /nfs/dbraw/zinc/83/78/61/943837861.db2.gz ULQYIEVLGQMBMO-ICSRJNTNSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873184 943837868 /nfs/dbraw/zinc/83/78/68/943837868.db2.gz ULQYIEVLGQMBMO-ICSRJNTNSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873184 943837875 /nfs/dbraw/zinc/83/78/75/943837875.db2.gz ULQYIEVLGQMBMO-ICSRJNTNSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873186 943838011 /nfs/dbraw/zinc/83/80/11/943838011.db2.gz ULQYIEVLGQMBMO-UYAOXDASSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873186 943838017 /nfs/dbraw/zinc/83/80/17/943838017.db2.gz ULQYIEVLGQMBMO-UYAOXDASSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873186 943838027 /nfs/dbraw/zinc/83/80/27/943838027.db2.gz ULQYIEVLGQMBMO-UYAOXDASSA-N 2 1 357.542 3.593 20 0 FHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000516934882 943843113 /nfs/dbraw/zinc/84/31/13/943843113.db2.gz BHNPREIOVHSJPZ-NRFANRHFSA-N 2 1 359.477 3.619 20 0 FHADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959937 943864108 /nfs/dbraw/zinc/86/41/08/943864108.db2.gz VSDMGGPCXJNUQP-NOTZXAQLSA-N 3 1 353.554 3.777 20 0 FHADMP c1cc(C[NH+]2CCCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959937 943864120 /nfs/dbraw/zinc/86/41/20/943864120.db2.gz VSDMGGPCXJNUQP-NOTZXAQLSA-N 2 1 353.554 3.777 20 0 FHADMP c1cc(C[NH+]2CCCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959937 943864131 /nfs/dbraw/zinc/86/41/31/943864131.db2.gz VSDMGGPCXJNUQP-NOTZXAQLSA-N 2 1 353.554 3.777 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424377182 943887413 /nfs/dbraw/zinc/88/74/13/943887413.db2.gz LVZFZAVZXVNUES-HNNXBMFYSA-N 2 1 356.489 3.592 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000424418232 943897069 /nfs/dbraw/zinc/89/70/69/943897069.db2.gz PKAJYEQTJDSUJV-UHFFFAOYSA-N 2 1 366.509 3.630 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000424448512 943920334 /nfs/dbraw/zinc/92/03/34/943920334.db2.gz YELKUJWTYSIMMK-UHFFFAOYSA-N 2 1 358.530 3.574 20 0 FHADMP C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000425439999 943925839 /nfs/dbraw/zinc/92/58/39/943925839.db2.gz BIYMEBGLRZKIJZ-SFHVURJKSA-N 2 1 369.553 3.735 20 0 FHADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414792634 943946752 /nfs/dbraw/zinc/94/67/52/943946752.db2.gz CMWWVKWOXRCBBT-DYVFJYSZSA-N 2 1 365.930 3.983 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044847 943946789 /nfs/dbraw/zinc/94/67/89/943946789.db2.gz KESLRPYMJBEPJL-ROUUACIJSA-N 2 1 355.530 3.566 20 0 FHADMP COc1ccc([C@H](C)C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1 ZINC000414877040 943970824 /nfs/dbraw/zinc/97/08/24/943970824.db2.gz FHGRKPMOSBTWLV-URZJWIJPSA-N 2 1 354.494 3.543 20 0 FHADMP COc1cccc(C[N@@H+](CCn2ccnc2)Cc2cccc(Cl)c2)n1 ZINC000515556201 943991421 /nfs/dbraw/zinc/99/14/21/943991421.db2.gz HULONKPUYPOKSI-UHFFFAOYSA-N 2 1 356.857 3.643 20 0 FHADMP CCCCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000437648717 943998341 /nfs/dbraw/zinc/99/83/41/943998341.db2.gz HDPCLAAALUBVSB-OAQYLSRUSA-N 2 1 374.573 3.909 20 0 FHADMP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487998 944067986 /nfs/dbraw/zinc/06/79/86/944067986.db2.gz BIIQYLRGINRMMY-AWEZNQCLSA-N 2 1 351.332 3.928 20 0 FHADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000414810198 944085126 /nfs/dbraw/zinc/08/51/26/944085126.db2.gz UYVIFRVCPOERAJ-GOSISDBHSA-N 2 1 360.885 3.755 20 0 FHADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414816498 944116238 /nfs/dbraw/zinc/11/62/38/944116238.db2.gz XHBXXKBEPOSPTQ-KPZWWZAWSA-N 2 1 363.299 3.697 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000436237485 944140035 /nfs/dbraw/zinc/14/00/35/944140035.db2.gz GQYNGRWBWOUJKK-GOSISDBHSA-N 2 1 366.534 3.792 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000436281964 944161976 /nfs/dbraw/zinc/16/19/76/944161976.db2.gz HTUWDGCWVRZURO-CDJZJNNCSA-N 2 1 370.537 3.609 20 0 FHADMP C[C@@H](C[NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000414881073 944166523 /nfs/dbraw/zinc/16/65/23/944166523.db2.gz QXQWYPGJQQDQPP-HNNXBMFYSA-N 2 1 362.315 3.717 20 0 FHADMP C[C@]1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCC[NH2+]C1 ZINC000414916490 944191874 /nfs/dbraw/zinc/19/18/74/944191874.db2.gz PRGRRBCAKYRXOS-FQEVSTJZSA-N 2 1 359.901 3.793 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000414916554 944193285 /nfs/dbraw/zinc/19/32/85/944193285.db2.gz PYICMHKEKAXNCT-APWZRJJASA-N 2 1 369.513 3.646 20 0 FHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nccn1-c1ccccc1 ZINC000515828730 944246599 /nfs/dbraw/zinc/24/65/99/944246599.db2.gz DVOHHYVESPVWOG-WGGBDISSSA-N 2 1 374.488 3.779 20 0 FHADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568145 944267779 /nfs/dbraw/zinc/26/77/79/944267779.db2.gz ZJOPEQJSIUCQEZ-HRVKUGKESA-N 2 1 365.562 3.581 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436400766 944276802 /nfs/dbraw/zinc/27/68/02/944276802.db2.gz LOBSQLBUNXLIAF-NKKJXINNSA-N 2 1 364.533 3.754 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436400015 944277497 /nfs/dbraw/zinc/27/74/97/944277497.db2.gz HJSNWFASGBWDKC-LJQANCHMSA-N 2 1 367.468 3.554 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476037 944291856 /nfs/dbraw/zinc/29/18/56/944291856.db2.gz ZXVJNFHESYFDHL-ROUUACIJSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476037 944291861 /nfs/dbraw/zinc/29/18/61/944291861.db2.gz ZXVJNFHESYFDHL-ROUUACIJSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476037 944291866 /nfs/dbraw/zinc/29/18/66/944291866.db2.gz ZXVJNFHESYFDHL-ROUUACIJSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476037 944291874 /nfs/dbraw/zinc/29/18/74/944291874.db2.gz ZXVJNFHESYFDHL-ROUUACIJSA-N 2 1 361.505 3.741 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000439089079 944328437 /nfs/dbraw/zinc/32/84/37/944328437.db2.gz VQCVWLSDJVBVTI-ZACQAIPSSA-N 2 1 361.530 3.672 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)on1 ZINC000518393074 944347689 /nfs/dbraw/zinc/34/76/89/944347689.db2.gz JFRKHDDKMDXTSY-HOCLYGCPSA-N 2 1 351.450 3.815 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)on1 ZINC000518393074 944347696 /nfs/dbraw/zinc/34/76/96/944347696.db2.gz JFRKHDDKMDXTSY-HOCLYGCPSA-N 2 1 351.450 3.815 20 0 FHADMP CC1(C)C[N@@H+](CCn2ccnc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836758 944347893 /nfs/dbraw/zinc/34/78/93/944347893.db2.gz XCDNIUYULHRDNV-OAQYLSRUSA-N 2 1 352.526 3.506 20 0 FHADMP Cc1cc(N2CCC([NH2+]C3CC(C)(c4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000436469634 944349291 /nfs/dbraw/zinc/34/92/91/944349291.db2.gz DEPAYOPANILPRJ-UHFFFAOYSA-N 2 1 350.510 3.772 20 0 FHADMP Cn1ncc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438114100 944350162 /nfs/dbraw/zinc/35/01/62/944350162.db2.gz HNWAMIORCDRKPC-UHFFFAOYSA-N 2 1 358.917 3.562 20 0 FHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000550180373 944359556 /nfs/dbraw/zinc/35/95/56/944359556.db2.gz BLGIUZJJAAEXQT-DYESRHJHSA-N 2 1 362.477 3.632 20 0 FHADMP Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167975841 944372255 /nfs/dbraw/zinc/37/22/55/944372255.db2.gz XBEOIWZDHFAOSH-FRIKZZABSA-N 2 1 372.528 3.912 20 0 FHADMP CCOc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000292001027 944373594 /nfs/dbraw/zinc/37/35/94/944373594.db2.gz XIIZIKGICZDOFH-RBBKRZOGSA-N 2 1 360.542 3.705 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000426300204 944397145 /nfs/dbraw/zinc/39/71/45/944397145.db2.gz CULWSTPKWYPPLS-CEXWTWQISA-N 2 1 370.566 3.704 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000426300207 944397274 /nfs/dbraw/zinc/39/72/74/944397274.db2.gz CULWSTPKWYPPLS-IPMKNSEASA-N 2 1 370.566 3.704 20 0 FHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426295320 944398242 /nfs/dbraw/zinc/39/82/42/944398242.db2.gz TYCCCISHOPWZEB-UWJYYQICSA-N 2 1 367.537 3.671 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000426295139 944398670 /nfs/dbraw/zinc/39/86/70/944398670.db2.gz XFDMTIQQBBVYLH-REPLKXPHSA-N 2 1 370.566 3.989 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426306742 944409334 /nfs/dbraw/zinc/40/93/34/944409334.db2.gz LCVCFBIVUSLYQJ-UZKOGDIHSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426306742 944409340 /nfs/dbraw/zinc/40/93/40/944409340.db2.gz LCVCFBIVUSLYQJ-UZKOGDIHSA-N 2 1 367.512 3.905 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000426332838 944477730 /nfs/dbraw/zinc/47/77/30/944477730.db2.gz FPPZAUIHCKYLBK-GUDVDZBRSA-N 2 1 356.539 3.627 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000426332838 944477735 /nfs/dbraw/zinc/47/77/35/944477735.db2.gz FPPZAUIHCKYLBK-GUDVDZBRSA-N 2 1 356.539 3.627 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390581684 944513654 /nfs/dbraw/zinc/51/36/54/944513654.db2.gz DSFSVNSEORKZGA-PZJWPPBQSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390581684 944513660 /nfs/dbraw/zinc/51/36/60/944513660.db2.gz DSFSVNSEORKZGA-PZJWPPBQSA-N 2 1 352.526 3.688 20 0 FHADMP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CS2 ZINC001167982156 944527748 /nfs/dbraw/zinc/52/77/48/944527748.db2.gz YSCBLFCFHLKBKM-HRVKUGKESA-N 2 1 358.551 3.707 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238103 944545171 /nfs/dbraw/zinc/54/51/71/944545171.db2.gz RJUNRPFRWORQPR-QFIPXVFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238103 944545177 /nfs/dbraw/zinc/54/51/77/944545177.db2.gz RJUNRPFRWORQPR-QFIPXVFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238103 944545185 /nfs/dbraw/zinc/54/51/85/944545185.db2.gz RJUNRPFRWORQPR-QFIPXVFZSA-N 2 1 354.542 3.933 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000660415913 944597604 /nfs/dbraw/zinc/59/76/04/944597604.db2.gz ARSYCSGUXHYDEN-GOSISDBHSA-N 2 1 372.538 3.661 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000660415913 944597614 /nfs/dbraw/zinc/59/76/14/944597614.db2.gz ARSYCSGUXHYDEN-GOSISDBHSA-N 2 1 372.538 3.661 20 0 FHADMP CC[C@H]1C[NH+](Cc2cccc(C[N@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000439476618 944657846 /nfs/dbraw/zinc/65/78/46/944657846.db2.gz RSKWJMUFDOVAMI-VXKWHMMOSA-N 2 1 360.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000550273423 944665601 /nfs/dbraw/zinc/66/56/01/944665601.db2.gz PUSVGJGYNCULEQ-IEBWSBKVSA-N 2 1 354.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000550273423 944665604 /nfs/dbraw/zinc/66/56/04/944665604.db2.gz PUSVGJGYNCULEQ-IEBWSBKVSA-N 2 1 354.542 3.688 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1O ZINC000426416048 944728809 /nfs/dbraw/zinc/72/88/09/944728809.db2.gz GLNDHVKGJUVRIE-SFHVURJKSA-N 2 1 368.521 3.760 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1O ZINC000426416048 944728815 /nfs/dbraw/zinc/72/88/15/944728815.db2.gz GLNDHVKGJUVRIE-SFHVURJKSA-N 2 1 368.521 3.760 20 0 FHADMP Cc1ccc(CCC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000544128247 944747719 /nfs/dbraw/zinc/74/77/19/944747719.db2.gz VGEHEVMQYQAVDX-OYRHEFFESA-N 2 1 374.569 3.518 20 0 FHADMP Cc1ccc(CCC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000544128247 944747726 /nfs/dbraw/zinc/74/77/26/944747726.db2.gz VGEHEVMQYQAVDX-OYRHEFFESA-N 2 1 374.569 3.518 20 0 FHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCC(F)(F)F ZINC000516348294 944754081 /nfs/dbraw/zinc/75/40/81/944754081.db2.gz RYGHPEPPORNMAC-XYPWUTKMSA-N 2 1 372.431 3.693 20 0 FHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCC(F)(F)F ZINC000516348294 944754086 /nfs/dbraw/zinc/75/40/86/944754086.db2.gz RYGHPEPPORNMAC-XYPWUTKMSA-N 2 1 372.431 3.693 20 0 FHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCC(F)(F)F ZINC000516348294 944754088 /nfs/dbraw/zinc/75/40/88/944754088.db2.gz RYGHPEPPORNMAC-XYPWUTKMSA-N 2 1 372.431 3.693 20 0 FHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCC(F)(F)F ZINC000516348294 944754103 /nfs/dbraw/zinc/75/41/03/944754103.db2.gz RYGHPEPPORNMAC-XYPWUTKMSA-N 2 1 372.431 3.693 20 0 FHADMP [NH3+][C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC1 ZINC000414893516 944815908 /nfs/dbraw/zinc/81/59/08/944815908.db2.gz RKOPDHIYOOIYHB-HXUWFJFHSA-N 2 1 350.441 3.505 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511677895 944903466 /nfs/dbraw/zinc/90/34/66/944903466.db2.gz RQMMELLFFKUOID-WZONZLPQSA-N 2 1 371.569 3.911 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000505937927 944943759 /nfs/dbraw/zinc/94/37/59/944943759.db2.gz ZWCTXEGBCULVGT-VWPQPMDRSA-N 2 1 371.569 3.792 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000505937927 944943766 /nfs/dbraw/zinc/94/37/66/944943766.db2.gz ZWCTXEGBCULVGT-VWPQPMDRSA-N 2 1 371.569 3.792 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000518029884 944949484 /nfs/dbraw/zinc/94/94/84/944949484.db2.gz XJAYIAUTBUFRIM-IRLDBZIGSA-N 2 1 371.569 3.669 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518029884 944949487 /nfs/dbraw/zinc/94/94/87/944949487.db2.gz XJAYIAUTBUFRIM-IRLDBZIGSA-N 2 1 371.569 3.669 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518029884 944949490 /nfs/dbraw/zinc/94/94/90/944949490.db2.gz XJAYIAUTBUFRIM-IRLDBZIGSA-N 2 1 371.569 3.669 20 0 FHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414946079 944981064 /nfs/dbraw/zinc/98/10/64/944981064.db2.gz SLQMQNSELMOMHH-AUUYWEPGSA-N 2 1 357.885 3.680 20 0 FHADMP Clc1ccc(SCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000660466684 944981567 /nfs/dbraw/zinc/98/15/67/944981567.db2.gz BABFQPGUZKFEGG-KRWDZBQOSA-N 2 1 354.947 3.619 20 0 FHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000516569757 945019893 /nfs/dbraw/zinc/01/98/93/945019893.db2.gz FZBFCVLPWMJNKP-MRXNPFEDSA-N 2 1 357.885 3.763 20 0 FHADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414953685 945038009 /nfs/dbraw/zinc/03/80/09/945038009.db2.gz JZTNXIPORPVWCB-XHDPSFHLSA-N 2 1 366.328 3.660 20 0 FHADMP CCOc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000426159701 945051501 /nfs/dbraw/zinc/05/15/01/945051501.db2.gz IGRKTUQTSARTIC-UHFFFAOYSA-N 2 1 357.473 3.968 20 0 FHADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443973187 945390466 /nfs/dbraw/zinc/39/04/66/945390466.db2.gz ZKYYUWGZTOFNDL-UHFFFAOYSA-N 2 1 358.457 3.554 20 0 FHADMP c1nc(-c2ccncc2)sc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000440347389 945426886 /nfs/dbraw/zinc/42/68/86/945426886.db2.gz YTMMORJUADOVNO-UHFFFAOYSA-N 2 1 364.518 3.743 20 0 FHADMP c1nc(-c2ccncc2)sc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000440347389 945426889 /nfs/dbraw/zinc/42/68/89/945426889.db2.gz YTMMORJUADOVNO-UHFFFAOYSA-N 2 1 364.518 3.743 20 0 FHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894861002 945515814 /nfs/dbraw/zinc/51/58/14/945515814.db2.gz MXHYTQANPUOFDJ-AWEZNQCLSA-N 2 1 353.532 3.917 20 0 FHADMP Fc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075458 945550947 /nfs/dbraw/zinc/55/09/47/945550947.db2.gz BLBVXKMPVMGJQH-QUCCMNQESA-N 2 1 350.441 3.594 20 0 FHADMP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473879885 945574940 /nfs/dbraw/zinc/57/49/40/945574940.db2.gz URBJOUYRIGDGGV-TZIWHRDSSA-N 2 1 374.573 3.585 20 0 FHADMP c1cnc2c(c1)cccc2OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968547 945613103 /nfs/dbraw/zinc/61/31/03/945613103.db2.gz RGVVRHPMDDXENI-IHWFROFDSA-N 2 1 351.494 3.609 20 0 FHADMP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC000629701414 945662646 /nfs/dbraw/zinc/66/26/46/945662646.db2.gz BTACQJXESZLGQU-XLIONFOSSA-N 2 1 352.522 3.756 20 0 FHADMP Cn1ncc2ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc3ccccc3)cc21 ZINC000519735719 945701001 /nfs/dbraw/zinc/70/10/01/945701001.db2.gz KQOVNYAKQDFEDQ-UHFFFAOYSA-N 2 1 350.510 3.821 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440615686 945711733 /nfs/dbraw/zinc/71/17/33/945711733.db2.gz QJZSSQXTYLZLOA-KBPBESRZSA-N 2 1 366.431 3.675 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3OCc3ccncc3)C2)CC1 ZINC000519782274 945758652 /nfs/dbraw/zinc/75/86/52/945758652.db2.gz BTMOFKCUNPNBRG-OAQYLSRUSA-N 2 1 365.521 3.824 20 0 FHADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827532 945789385 /nfs/dbraw/zinc/78/93/85/945789385.db2.gz ZDXBEADJCSNRPH-GLCCWIKHSA-N 2 1 368.496 3.514 20 0 FHADMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c2ccccc2[nH+]1 ZINC000301644823 945890896 /nfs/dbraw/zinc/89/08/96/945890896.db2.gz NJLQPJRGTDIAEQ-PKTZIBPZSA-N 2 1 359.473 3.633 20 0 FHADMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c2ccccc2[nH+]1 ZINC000301644823 945890908 /nfs/dbraw/zinc/89/09/08/945890908.db2.gz NJLQPJRGTDIAEQ-PKTZIBPZSA-N 2 1 359.473 3.633 20 0 FHADMP Cc1noc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000301685001 945913230 /nfs/dbraw/zinc/91/32/30/945913230.db2.gz UDLUDOVBIHYRDO-UHFFFAOYSA-N 2 1 354.429 3.609 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415938370 945927667 /nfs/dbraw/zinc/92/76/67/945927667.db2.gz XVDNRVXTPASEHD-UHFFFAOYSA-N 2 1 360.546 3.772 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000520044450 946070588 /nfs/dbraw/zinc/07/05/88/946070588.db2.gz SABPQMBMRHOASS-QWFCFKBJSA-N 2 1 351.579 3.514 20 0 FHADMP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(Cl)cc2)CC3)[nH]1 ZINC001279145338 946164949 /nfs/dbraw/zinc/16/49/49/946164949.db2.gz ZTNKHRMYELJVSD-UHFFFAOYSA-N 2 1 371.912 3.929 20 0 FHADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000655704355 946224065 /nfs/dbraw/zinc/22/40/65/946224065.db2.gz BLTGSUJYOYAEHW-DZGCQCFKSA-N 2 1 357.325 3.940 20 0 FHADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248445678 946345550 /nfs/dbraw/zinc/34/55/50/946345550.db2.gz CFTSCLKORCXRNO-SJORKVTESA-N 2 1 367.331 3.607 20 0 FHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(Cl)s1 ZINC000473129210 946378340 /nfs/dbraw/zinc/37/83/40/946378340.db2.gz WFHKKYRMISRPLP-UHFFFAOYSA-N 2 1 350.919 3.930 20 0 FHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(Cl)s1 ZINC000473129210 946378351 /nfs/dbraw/zinc/37/83/51/946378351.db2.gz WFHKKYRMISRPLP-UHFFFAOYSA-N 2 1 350.919 3.930 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271552 946383276 /nfs/dbraw/zinc/38/32/76/946383276.db2.gz RBXZGZCEXGTODY-UZKOGDIHSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271552 946383287 /nfs/dbraw/zinc/38/32/87/946383287.db2.gz RBXZGZCEXGTODY-UZKOGDIHSA-N 2 1 367.493 3.557 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970788 946395770 /nfs/dbraw/zinc/39/57/70/946395770.db2.gz BIGBHJXFFSQAMZ-KGLIPLIRSA-N 2 1 370.324 3.644 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488939 946430728 /nfs/dbraw/zinc/43/07/28/946430728.db2.gz VTUOAZOIJYNXCT-TVFCKZIOSA-N 2 1 365.562 3.532 20 0 FHADMP CCOc1ccccc1CN1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000441365268 946514497 /nfs/dbraw/zinc/51/44/97/946514497.db2.gz KHKHICRCANJHIY-LJQANCHMSA-N 2 1 370.541 3.577 20 0 FHADMP CCOc1ccccc1CN1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000441365268 946514501 /nfs/dbraw/zinc/51/45/01/946514501.db2.gz KHKHICRCANJHIY-LJQANCHMSA-N 2 1 370.541 3.577 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396834 946560168 /nfs/dbraw/zinc/56/01/68/946560168.db2.gz OTIKHZARLMNCMA-SJLPKXTDSA-N 2 1 372.475 3.711 20 0 FHADMP Cc1noc(C2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168058728 946625341 /nfs/dbraw/zinc/62/53/41/946625341.db2.gz BYGVMTXVVKFXCJ-IRXDYDNUSA-N 2 1 368.525 3.999 20 0 FHADMP c1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000048565176 946841403 /nfs/dbraw/zinc/84/14/03/946841403.db2.gz AWEPNOTYXCJUQE-UHFFFAOYSA-N 2 1 354.498 3.825 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626490 946871991 /nfs/dbraw/zinc/87/19/91/946871991.db2.gz PDGVMPCXSKNOAP-MRXNPFEDSA-N 2 1 364.497 3.558 20 0 FHADMP C(O[C@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994013 946874772 /nfs/dbraw/zinc/87/47/72/946874772.db2.gz WLROAASWGDFJKK-RPZNRFFMSA-N 2 1 358.570 3.919 20 0 FHADMP C(O[C@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994013 946874785 /nfs/dbraw/zinc/87/47/85/946874785.db2.gz WLROAASWGDFJKK-RPZNRFFMSA-N 2 1 358.570 3.919 20 0 FHADMP C(O[C@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994013 946874795 /nfs/dbraw/zinc/87/47/95/946874795.db2.gz WLROAASWGDFJKK-RPZNRFFMSA-N 2 1 358.570 3.919 20 0 FHADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348000 946879773 /nfs/dbraw/zinc/87/97/73/946879773.db2.gz RHSXPCRUXWNICY-VKZRIFJHSA-N 2 1 354.441 3.567 20 0 FHADMP CCOc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167994519 946905686 /nfs/dbraw/zinc/90/56/86/946905686.db2.gz HGZRGYCQMWSSPB-CBQGHPETSA-N 2 1 369.553 3.613 20 0 FHADMP CCOc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167994519 946905690 /nfs/dbraw/zinc/90/56/90/946905690.db2.gz HGZRGYCQMWSSPB-CBQGHPETSA-N 2 1 369.553 3.613 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)cc1F ZINC000652354141 946913110 /nfs/dbraw/zinc/91/31/10/946913110.db2.gz NWAOGOYLBVFREM-QAPCUYQASA-N 2 1 360.477 3.566 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000164621658 946913233 /nfs/dbraw/zinc/91/32/33/946913233.db2.gz XCNQXYDLPIGXBY-OAHLLOKOSA-N 2 1 355.461 3.956 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC3 ZINC000511907346 946922968 /nfs/dbraw/zinc/92/29/68/946922968.db2.gz LGJGGSAMYYSKDX-CQSZACIVSA-N 2 1 354.523 3.642 20 0 FHADMP OC1(c2ccc(F)cc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995329 946933540 /nfs/dbraw/zinc/93/35/40/946933540.db2.gz ATQIBFUYLGXIOT-WCRBZPEASA-N 2 1 358.501 3.515 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000475353981 946933755 /nfs/dbraw/zinc/93/37/55/946933755.db2.gz GYEYQOVEKGLSDD-MRXNPFEDSA-N 2 1 351.535 3.856 20 0 FHADMP COc1cccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995804 947030967 /nfs/dbraw/zinc/03/09/67/947030967.db2.gz QJNFMSVZXCLFSS-SRDOODBNSA-N 2 1 370.537 3.944 20 0 FHADMP COc1cccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167995804 947030973 /nfs/dbraw/zinc/03/09/73/947030973.db2.gz QJNFMSVZXCLFSS-SRDOODBNSA-N 2 1 370.537 3.944 20 0 FHADMP COc1cccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995804 947030981 /nfs/dbraw/zinc/03/09/81/947030981.db2.gz QJNFMSVZXCLFSS-SRDOODBNSA-N 2 1 370.537 3.944 20 0 FHADMP CC1(C)CCC[N@@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444610918 947035344 /nfs/dbraw/zinc/03/53/44/947035344.db2.gz PTXSLGNPUAXUDW-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000444610440 947036047 /nfs/dbraw/zinc/03/60/47/947036047.db2.gz PIABOXLKPHOIBL-HXUWFJFHSA-N 2 1 355.551 3.627 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444671930 947097190 /nfs/dbraw/zinc/09/71/90/947097190.db2.gz KJNPDCISTLFVAQ-AVRDEDQJSA-N 2 1 369.578 3.873 20 0 FHADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000192921812 947105230 /nfs/dbraw/zinc/10/52/30/947105230.db2.gz DIQCLRYOJGZPKV-NRFANRHFSA-N 2 1 360.505 3.792 20 0 FHADMP FC(F)(F)COCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245681707 947219856 /nfs/dbraw/zinc/21/98/56/947219856.db2.gz IZZDZPMMVCZFJQ-NNZMDNLPSA-N 2 1 356.432 3.741 20 0 FHADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251643 947674456 /nfs/dbraw/zinc/67/44/56/947674456.db2.gz HBEKNYPFGFYTSC-GUYCJALGSA-N 2 1 354.416 3.752 20 0 FHADMP C[NH+](CC1=CCSC1)Cc1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000662268417 947690566 /nfs/dbraw/zinc/69/05/66/947690566.db2.gz YLFYUHPDKPRPRG-UHFFFAOYSA-N 2 1 360.592 3.897 20 0 FHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291709 947713422 /nfs/dbraw/zinc/71/34/22/947713422.db2.gz XWUKVEJQZOWOPR-HIFRSBDPSA-N 2 1 367.896 3.518 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292949 947715034 /nfs/dbraw/zinc/71/50/34/947715034.db2.gz CJLUKHIISUMSDF-ZFWWWQNUSA-N 2 1 367.896 3.518 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292949 947715043 /nfs/dbraw/zinc/71/50/43/947715043.db2.gz CJLUKHIISUMSDF-ZFWWWQNUSA-N 2 1 367.896 3.518 20 0 FHADMP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294038 947716531 /nfs/dbraw/zinc/71/65/31/947716531.db2.gz AJCJBEUWPUEXCU-INIZCTEOSA-N 2 1 360.889 3.602 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CCC[NH3+] ZINC000662314274 947743763 /nfs/dbraw/zinc/74/37/63/947743763.db2.gz OXEXSYJQKISNCW-RHSMWYFYSA-N 2 1 362.905 3.772 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)[C@@H]1CCC[NH3+] ZINC000662316050 947744344 /nfs/dbraw/zinc/74/43/44/947744344.db2.gz JMBQCYQUGVFLDR-IUODEOHRSA-N 2 1 366.868 3.869 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322005 947749287 /nfs/dbraw/zinc/74/92/87/947749287.db2.gz SRXSNXVACQAJOK-GOSISDBHSA-N 2 1 358.448 3.681 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324434 947750712 /nfs/dbraw/zinc/75/07/12/947750712.db2.gz YADCEEASBGOQCQ-PBHICJAKSA-N 2 1 360.420 3.689 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324434 947750782 /nfs/dbraw/zinc/75/07/82/947750782.db2.gz YADCEEASBGOQCQ-PBHICJAKSA-N 2 1 360.420 3.689 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662390223 947769687 /nfs/dbraw/zinc/76/96/87/947769687.db2.gz YSGHJVKVAYPOEQ-QGZVFWFLSA-N 2 1 363.505 3.594 20 0 FHADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162263339 947805520 /nfs/dbraw/zinc/80/55/20/947805520.db2.gz MUSZBGWVSROFOB-INIZCTEOSA-N 2 1 354.498 3.730 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344124 947807197 /nfs/dbraw/zinc/80/71/97/947807197.db2.gz OMPOBLVEGVBEJG-SFHVURJKSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344124 947807207 /nfs/dbraw/zinc/80/72/07/947807207.db2.gz OMPOBLVEGVBEJG-SFHVURJKSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344124 947807222 /nfs/dbraw/zinc/80/72/22/947807222.db2.gz OMPOBLVEGVBEJG-SFHVURJKSA-N 2 1 356.489 3.531 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1OC(F)F ZINC000663347052 947814894 /nfs/dbraw/zinc/81/48/94/947814894.db2.gz GUBBNRSIXAVCNQ-MRXNPFEDSA-N 2 1 368.468 3.898 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1OC(F)F ZINC000663347052 947814895 /nfs/dbraw/zinc/81/48/95/947814895.db2.gz GUBBNRSIXAVCNQ-MRXNPFEDSA-N 2 1 368.468 3.898 20 0 FHADMP C[NH2+][C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662673227 947970177 /nfs/dbraw/zinc/97/01/77/947970177.db2.gz JPRCNBUEERPERC-QGZVFWFLSA-N 2 1 372.340 3.585 20 0 FHADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466060 948051544 /nfs/dbraw/zinc/05/15/44/948051544.db2.gz NQWFBOVJOUHWDT-UKRRQHHQSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466060 948051551 /nfs/dbraw/zinc/05/15/51/948051551.db2.gz NQWFBOVJOUHWDT-UKRRQHHQSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466060 948051558 /nfs/dbraw/zinc/05/15/58/948051558.db2.gz NQWFBOVJOUHWDT-UKRRQHHQSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469283 948062179 /nfs/dbraw/zinc/06/21/79/948062179.db2.gz PMCAOHIRVSFWFP-RDJZCZTQSA-N 2 1 363.933 3.769 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663470622 948066054 /nfs/dbraw/zinc/06/60/54/948066054.db2.gz VQNXCQRDRBSEKJ-MSOLQXFVSA-N 2 1 367.537 3.745 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001167824250 948105390 /nfs/dbraw/zinc/10/53/90/948105390.db2.gz GKDCVOFVVWGKDM-FHWLQOOXSA-N 2 1 364.603 3.550 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001167825065 948117742 /nfs/dbraw/zinc/11/77/42/948117742.db2.gz JSCSMGSQJYSEOL-GOSISDBHSA-N 2 1 350.551 3.524 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825588 948125593 /nfs/dbraw/zinc/12/55/93/948125593.db2.gz RPXCNEDBQBAGSI-PMVMPFDFSA-N 2 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825729 948126724 /nfs/dbraw/zinc/12/67/24/948126724.db2.gz SRIZNBIDYLSIIK-RTBURBONSA-N 3 1 353.595 3.509 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@H+]2C[C@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826739 948135583 /nfs/dbraw/zinc/13/55/83/948135583.db2.gz QXEQXGBMKHCLQP-QZNHQXDQSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN2C[C@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826739 948135589 /nfs/dbraw/zinc/13/55/89/948135589.db2.gz QXEQXGBMKHCLQP-QZNHQXDQSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN2C[C@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826739 948135595 /nfs/dbraw/zinc/13/55/95/948135595.db2.gz QXEQXGBMKHCLQP-QZNHQXDQSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001167827529 948151517 /nfs/dbraw/zinc/15/15/17/948151517.db2.gz TYICLLNECZSNTG-SFHVURJKSA-N 2 1 362.562 3.526 20 0 FHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512008043 948174487 /nfs/dbraw/zinc/17/44/87/948174487.db2.gz LJTAJXJAQRHFNC-SJLPKXTDSA-N 2 1 366.431 3.854 20 0 FHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000432349725 948189844 /nfs/dbraw/zinc/18/98/44/948189844.db2.gz AMBIPDCWKHWEFF-IBGZPJMESA-N 2 1 369.509 3.773 20 0 FHADMP O=C(C1CCCCC1)N1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001168002041 948194100 /nfs/dbraw/zinc/19/41/00/948194100.db2.gz CHTGLNQKDNPSRU-CBQGHPETSA-N 2 1 373.585 3.506 20 0 FHADMP O=C(C1CCCCC1)N1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001168002041 948194106 /nfs/dbraw/zinc/19/41/06/948194106.db2.gz CHTGLNQKDNPSRU-CBQGHPETSA-N 2 1 373.585 3.506 20 0 FHADMP O=C(C1CCCCC1)N1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002041 948194111 /nfs/dbraw/zinc/19/41/11/948194111.db2.gz CHTGLNQKDNPSRU-CBQGHPETSA-N 2 1 373.585 3.506 20 0 FHADMP O=C(C1CCCCC1)N1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002041 948194117 /nfs/dbraw/zinc/19/41/17/948194117.db2.gz CHTGLNQKDNPSRU-CBQGHPETSA-N 2 1 373.585 3.506 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000432362635 948217528 /nfs/dbraw/zinc/21/75/28/948217528.db2.gz NPVCPDAOQZJVNZ-ZDUSSCGKSA-N 2 1 364.839 3.949 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000432362635 948217535 /nfs/dbraw/zinc/21/75/35/948217535.db2.gz NPVCPDAOQZJVNZ-ZDUSSCGKSA-N 2 1 364.839 3.949 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+]CC[NH2+]C1CCCCCC1)CC2 ZINC000520564845 948302974 /nfs/dbraw/zinc/30/29/74/948302974.db2.gz DINKSCXOVGOVMV-UHFFFAOYSA-N 2 1 355.526 3.721 20 0 FHADMP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512050592 948308947 /nfs/dbraw/zinc/30/89/47/948308947.db2.gz DCTOUGGHBQPCKH-MJGOQNOKSA-N 2 1 359.539 3.993 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001167839495 948315825 /nfs/dbraw/zinc/31/58/25/948315825.db2.gz YKSNCTDMBIENKS-AKHDSKFASA-N 2 1 367.578 3.732 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc12 ZINC000432406862 948348872 /nfs/dbraw/zinc/34/88/72/948348872.db2.gz JBSCLQVMRUYCME-ROUUACIJSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc12 ZINC000432406862 948348880 /nfs/dbraw/zinc/34/88/80/948348880.db2.gz JBSCLQVMRUYCME-ROUUACIJSA-N 2 1 356.510 4.000 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001167841376 948360720 /nfs/dbraw/zinc/36/07/20/948360720.db2.gz LWDRFDOHKTWGOK-QRVBRYPASA-N 2 1 367.578 3.971 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001167841864 948366860 /nfs/dbraw/zinc/36/68/60/948366860.db2.gz SPXAFVIJXIFTLL-WWNPGLIZSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841864 948366865 /nfs/dbraw/zinc/36/68/65/948366865.db2.gz SPXAFVIJXIFTLL-WWNPGLIZSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841864 948366871 /nfs/dbraw/zinc/36/68/71/948366871.db2.gz SPXAFVIJXIFTLL-WWNPGLIZSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841864 948366875 /nfs/dbraw/zinc/36/68/75/948366875.db2.gz SPXAFVIJXIFTLL-WWNPGLIZSA-N 2 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841864 948366882 /nfs/dbraw/zinc/36/68/82/948366882.db2.gz SPXAFVIJXIFTLL-WWNPGLIZSA-N 2 1 357.586 3.951 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417701 948370069 /nfs/dbraw/zinc/37/00/69/948370069.db2.gz NSZGHBFNRQZTFS-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417701 948370070 /nfs/dbraw/zinc/37/00/70/948370070.db2.gz NSZGHBFNRQZTFS-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP COc1c(F)cccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143529436 948543164 /nfs/dbraw/zinc/54/31/64/948543164.db2.gz ZLQJQAKBJBCPSA-UHFFFAOYSA-N 2 1 369.484 3.717 20 0 FHADMP C[C@H]1CC([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005873 948546107 /nfs/dbraw/zinc/54/61/07/948546107.db2.gz KRJCLIDRUUTXSD-ROUUACIJSA-N 2 1 366.505 3.989 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000520698508 948604982 /nfs/dbraw/zinc/60/49/82/948604982.db2.gz SISSAXGIKNZFRE-UHFFFAOYSA-N 2 1 373.585 3.834 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177117 948656476 /nfs/dbraw/zinc/65/64/76/948656476.db2.gz FEZCZJFESBTGTF-FPOVZHCZSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177117 948656481 /nfs/dbraw/zinc/65/64/81/948656481.db2.gz FEZCZJFESBTGTF-FPOVZHCZSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177117 948656487 /nfs/dbraw/zinc/65/64/87/948656487.db2.gz FEZCZJFESBTGTF-FPOVZHCZSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177117 948656493 /nfs/dbraw/zinc/65/64/93/948656493.db2.gz FEZCZJFESBTGTF-FPOVZHCZSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@@H](C)O1 ZINC000512176570 948661869 /nfs/dbraw/zinc/66/18/69/948661869.db2.gz BBFMAKUUIUCTSY-HUUCEWRRSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000110430641 206074742 /nfs/dbraw/zinc/07/47/42/206074742.db2.gz JTJVJICTTSRDEV-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000110430641 206074746 /nfs/dbraw/zinc/07/47/46/206074746.db2.gz JTJVJICTTSRDEV-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[NH+]1CCC(CNc2ncncc2-c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000539248153 517966806 /nfs/dbraw/zinc/96/68/06/517966806.db2.gz LNYACJCUSGLFDY-UHFFFAOYSA-N 2 1 365.525 3.506 20 0 FHADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677696 523399587 /nfs/dbraw/zinc/39/95/87/523399587.db2.gz LWEWLOWWYJOXRO-NRFANRHFSA-N 2 1 351.494 3.503 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677696 523399594 /nfs/dbraw/zinc/39/95/94/523399594.db2.gz LWEWLOWWYJOXRO-NRFANRHFSA-N 2 1 351.494 3.503 20 0 FHADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677696 523399601 /nfs/dbraw/zinc/39/96/01/523399601.db2.gz LWEWLOWWYJOXRO-NRFANRHFSA-N 2 1 351.494 3.503 20 0 FHADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677696 523399609 /nfs/dbraw/zinc/39/96/09/523399609.db2.gz LWEWLOWWYJOXRO-NRFANRHFSA-N 2 1 351.494 3.503 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427042 567952140 /nfs/dbraw/zinc/95/21/40/567952140.db2.gz HOVDGFJLOFHFIF-NRFANRHFSA-N 2 1 354.542 3.677 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427042 567952142 /nfs/dbraw/zinc/95/21/42/567952142.db2.gz HOVDGFJLOFHFIF-NRFANRHFSA-N 2 1 354.542 3.677 20 0 FHADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104497 567964134 /nfs/dbraw/zinc/96/41/34/567964134.db2.gz XCRUKAUTFWWNRA-OALUTQOASA-N 2 1 360.542 3.978 20 0 FHADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104499 567964222 /nfs/dbraw/zinc/96/42/22/567964222.db2.gz XCRUKAUTFWWNRA-RBUKOAKNSA-N 2 1 360.542 3.978 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)cs1 ZINC000161751534 567965829 /nfs/dbraw/zinc/96/58/29/567965829.db2.gz INDDQXVANMKGTK-KRWDZBQOSA-N 2 1 351.560 3.599 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)cs1 ZINC000161753792 567965926 /nfs/dbraw/zinc/96/59/26/567965926.db2.gz ZTLXOAAVWHDXJM-OAHLLOKOSA-N 2 1 361.559 3.792 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135877 568274501 /nfs/dbraw/zinc/27/45/01/568274501.db2.gz VLNCUCRQCLVIJF-IRXDYDNUSA-N 2 1 357.523 3.640 20 0 FHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000604774162 568363927 /nfs/dbraw/zinc/36/39/27/568363927.db2.gz AVGGQNLBDLMKCO-XJKSGUPXSA-N 2 1 373.463 3.988 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429631 568430024 /nfs/dbraw/zinc/43/00/24/568430024.db2.gz PUSCSENKFXCOSG-RHSMWYFYSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429631 568430026 /nfs/dbraw/zinc/43/00/26/568430026.db2.gz PUSCSENKFXCOSG-RHSMWYFYSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413702 599370844 /nfs/dbraw/zinc/37/08/44/599370844.db2.gz UPKXGOFSLYDHBO-MRXNPFEDSA-N 2 1 368.529 3.562 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410102 607015050 /nfs/dbraw/zinc/01/50/50/607015050.db2.gz DCVQNFFPLCRHSI-TWOQFEAHSA-N 2 1 368.529 3.560 20 0 FHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164792276 721493842 /nfs/dbraw/zinc/49/38/42/721493842.db2.gz MRNABTMVZRDQMN-UHFFFAOYSA-N 2 1 362.521 3.846 20 0 FHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164792276 721493844 /nfs/dbraw/zinc/49/38/44/721493844.db2.gz MRNABTMVZRDQMN-UHFFFAOYSA-N 2 1 362.521 3.846 20 0 FHADMP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1C ZINC001164909883 721729331 /nfs/dbraw/zinc/72/93/31/721729331.db2.gz FKFWBLGZGDISGJ-FQEVSTJZSA-N 2 1 372.463 3.831 20 0 FHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@@H]21 ZINC001165028095 721808756 /nfs/dbraw/zinc/80/87/56/721808756.db2.gz YHURDKBUEVKQJZ-RCZSKKKRSA-N 2 1 362.521 3.702 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@@H]21 ZINC001165028095 721808758 /nfs/dbraw/zinc/80/87/58/721808758.db2.gz YHURDKBUEVKQJZ-RCZSKKKRSA-N 2 1 362.521 3.702 20 0 FHADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ncccc2C[NH+]2CCCC2)c1 ZINC001164936879 721914637 /nfs/dbraw/zinc/91/46/37/721914637.db2.gz AKMPHGCGFBGVGD-KDURUIRLSA-N 2 1 368.550 3.592 20 0 FHADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cc(C)cc4C)CC3)C2)cc1 ZINC001164939723 721925694 /nfs/dbraw/zinc/92/56/94/721925694.db2.gz LXIADJLBEZWABF-UHFFFAOYSA-N 2 1 365.521 3.878 20 0 FHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cc(C)cc4C)CC3)C2)cc1 ZINC001164939723 721925696 /nfs/dbraw/zinc/92/56/96/721925696.db2.gz LXIADJLBEZWABF-UHFFFAOYSA-N 2 1 365.521 3.878 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](CC(C)C)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000162227896 936364307 /nfs/dbraw/zinc/36/43/07/936364307.db2.gz UXGLCUXBTSHALA-HXUWFJFHSA-N 2 1 353.514 3.834 20 0 FHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141572 927156883 /nfs/dbraw/zinc/15/68/83/927156883.db2.gz YAWMSLYHOFLYCJ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141572 927156889 /nfs/dbraw/zinc/15/68/89/927156889.db2.gz YAWMSLYHOFLYCJ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141572 927156900 /nfs/dbraw/zinc/15/69/00/927156900.db2.gz YAWMSLYHOFLYCJ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141572 927156906 /nfs/dbraw/zinc/15/69/06/927156906.db2.gz YAWMSLYHOFLYCJ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146007 927309727 /nfs/dbraw/zinc/30/97/27/927309727.db2.gz HUIAVBFKLHNRIV-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146007 927309738 /nfs/dbraw/zinc/30/97/38/927309738.db2.gz HUIAVBFKLHNRIV-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146007 927309748 /nfs/dbraw/zinc/30/97/48/927309748.db2.gz HUIAVBFKLHNRIV-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146007 927309761 /nfs/dbraw/zinc/30/97/61/927309761.db2.gz HUIAVBFKLHNRIV-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000078876867 927342300 /nfs/dbraw/zinc/34/23/00/927342300.db2.gz JELVQEBBHHSLDD-UHFFFAOYSA-N 2 1 369.509 3.633 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CC3CCCCC3)CC2)CC1 ZINC000655036454 927921178 /nfs/dbraw/zinc/92/11/78/927921178.db2.gz RBJOUNKYMSTONS-GOSISDBHSA-N 2 1 363.590 3.658 20 0 FHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000538408366 928791806 /nfs/dbraw/zinc/79/18/06/928791806.db2.gz YRVYZJAWFGUQDE-INIZCTEOSA-N 2 1 351.288 3.514 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000583256079 937288592 /nfs/dbraw/zinc/28/85/92/937288592.db2.gz SYCPKJDZIBJPAG-HSZRJFAPSA-N 2 1 368.521 3.679 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000547737101 929124920 /nfs/dbraw/zinc/12/49/20/929124920.db2.gz BEWQLLRUHZGQSS-UHFFFAOYSA-N 2 1 351.579 3.612 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547737101 929124924 /nfs/dbraw/zinc/12/49/24/929124924.db2.gz BEWQLLRUHZGQSS-UHFFFAOYSA-N 2 1 351.579 3.612 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547737101 929124931 /nfs/dbraw/zinc/12/49/31/929124931.db2.gz BEWQLLRUHZGQSS-UHFFFAOYSA-N 2 1 351.579 3.612 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000583282204 937313627 /nfs/dbraw/zinc/31/36/27/937313627.db2.gz HSHIIMXCYCPYPU-SJLPKXTDSA-N 2 1 357.464 3.513 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000583282204 937313631 /nfs/dbraw/zinc/31/36/31/937313631.db2.gz HSHIIMXCYCPYPU-SJLPKXTDSA-N 2 1 357.464 3.513 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H](C)C2 ZINC000180010565 929309386 /nfs/dbraw/zinc/30/93/86/929309386.db2.gz YWJLFWOXXDMLMZ-WZONZLPQSA-N 2 1 350.506 3.850 20 0 FHADMP CC[N@@H+](C[C@@H](O)c1ccccc1C)CC1CCN(c2ccccn2)CC1 ZINC000076108868 929319854 /nfs/dbraw/zinc/31/98/54/929319854.db2.gz ASINUGOMLRUQEM-OAQYLSRUSA-N 2 1 353.510 3.662 20 0 FHADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209159475 929387411 /nfs/dbraw/zinc/38/74/11/929387411.db2.gz UICJOEWHNSBFLQ-NHCUHLMSSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209159475 929387421 /nfs/dbraw/zinc/38/74/21/929387421.db2.gz UICJOEWHNSBFLQ-NHCUHLMSSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209159475 929387430 /nfs/dbraw/zinc/38/74/30/929387430.db2.gz UICJOEWHNSBFLQ-NHCUHLMSSA-N 2 1 358.526 3.562 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000180312836 929458364 /nfs/dbraw/zinc/45/83/64/929458364.db2.gz CZARLMXHHUYSHE-OTWHNJEPSA-N 2 1 369.553 3.813 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+]CCCCNc3ccccn3)CC2)cc1 ZINC000162853522 937335843 /nfs/dbraw/zinc/33/58/43/937335843.db2.gz KBXIXLKNLXIUGZ-UHFFFAOYSA-N 2 1 352.526 3.570 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180467151 929518255 /nfs/dbraw/zinc/51/82/55/929518255.db2.gz KVIILIUNCGFHTF-UHFFFAOYSA-N 2 1 373.491 3.671 20 0 FHADMP COc1ccccc1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683689680 929802726 /nfs/dbraw/zinc/80/27/26/929802726.db2.gz HSRCIIMRUOAUIN-WKCHPHFGSA-N 2 1 366.505 3.859 20 0 FHADMP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691396 929807782 /nfs/dbraw/zinc/80/77/82/929807782.db2.gz CCGXLKLCEAIWMP-XQUALCHDSA-N 2 1 364.533 3.765 20 0 FHADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000580014283 929863050 /nfs/dbraw/zinc/86/30/50/929863050.db2.gz FZGJNRIHBJKMNY-LJQANCHMSA-N 2 1 359.558 3.586 20 0 FHADMP Cc1oc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)nc(N)c2c1C ZINC000122072997 929925597 /nfs/dbraw/zinc/92/55/97/929925597.db2.gz VFGQVXZRDGNTDW-UHFFFAOYSA-N 2 1 371.529 3.510 20 0 FHADMP Cc1ccccc1[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167337291 929988870 /nfs/dbraw/zinc/98/88/70/929988870.db2.gz MFGAPEOFLDGBMM-NRFANRHFSA-N 2 1 351.538 3.806 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000123694013 930095423 /nfs/dbraw/zinc/09/54/23/930095423.db2.gz WWZMNWBFZVNBBQ-UYAOXDASSA-N 2 1 369.475 3.703 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(Br)c1 ZINC000566501093 937389079 /nfs/dbraw/zinc/38/90/79/937389079.db2.gz VEBTWZMNFQLINJ-ZNMIVQPWSA-N 2 1 354.336 3.863 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(Br)c1 ZINC000566501093 937389083 /nfs/dbraw/zinc/38/90/83/937389083.db2.gz VEBTWZMNFQLINJ-ZNMIVQPWSA-N 2 1 354.336 3.863 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000583376417 937392686 /nfs/dbraw/zinc/39/26/86/937392686.db2.gz MUYQUTFIIKBCJK-VGOFRKELSA-N 2 1 356.485 3.544 20 0 FHADMP COC1CC[NH+](CCNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000080250225 937399075 /nfs/dbraw/zinc/39/90/75/937399075.db2.gz QYRDNUFANBCODK-UHFFFAOYSA-N 2 1 364.287 3.520 20 0 FHADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000683834636 930357614 /nfs/dbraw/zinc/35/76/14/930357614.db2.gz OSPCRPAIPWOIHO-OAQYLSRUSA-N 2 1 371.569 3.527 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000379631836 930483498 /nfs/dbraw/zinc/48/34/98/930483498.db2.gz MEWIFLQWCOCIQL-LPHOPBHVSA-N 2 1 370.468 3.755 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000379631836 930483499 /nfs/dbraw/zinc/48/34/99/930483499.db2.gz MEWIFLQWCOCIQL-LPHOPBHVSA-N 2 1 370.468 3.755 20 0 FHADMP C[N@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381350 930597974 /nfs/dbraw/zinc/59/79/74/930597974.db2.gz ZGYNVMJXPKXTOW-SJLPKXTDSA-N 2 1 372.475 3.707 20 0 FHADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381350 930597979 /nfs/dbraw/zinc/59/79/79/930597979.db2.gz ZGYNVMJXPKXTOW-SJLPKXTDSA-N 2 1 372.475 3.707 20 0 FHADMP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000153270017 930652996 /nfs/dbraw/zinc/65/29/96/930652996.db2.gz VJIKATHHPDUWLQ-NRFANRHFSA-N 2 1 359.558 3.685 20 0 FHADMP COc1ccccc1[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000153270017 930653004 /nfs/dbraw/zinc/65/30/04/930653004.db2.gz VJIKATHHPDUWLQ-NRFANRHFSA-N 2 1 359.558 3.685 20 0 FHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000683933657 930659801 /nfs/dbraw/zinc/65/98/01/930659801.db2.gz SNXFJDPLFVTQKM-UHFFFAOYSA-N 2 1 354.828 3.848 20 0 FHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475091 930721418 /nfs/dbraw/zinc/72/14/18/930721418.db2.gz CLVAHDHEYUZONR-CABCVRRESA-N 2 1 371.447 3.887 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475091 930721423 /nfs/dbraw/zinc/72/14/23/930721423.db2.gz CLVAHDHEYUZONR-CABCVRRESA-N 2 1 371.447 3.887 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424281 930939899 /nfs/dbraw/zinc/93/98/99/930939899.db2.gz GIMWDSOROLLANK-AABGKKOBSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424281 930939906 /nfs/dbraw/zinc/93/99/06/930939906.db2.gz GIMWDSOROLLANK-AABGKKOBSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424281 930939914 /nfs/dbraw/zinc/93/99/14/930939914.db2.gz GIMWDSOROLLANK-AABGKKOBSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424281 930939920 /nfs/dbraw/zinc/93/99/20/930939920.db2.gz GIMWDSOROLLANK-AABGKKOBSA-N 2 1 350.547 3.649 20 0 FHADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1OC ZINC000684026360 931012697 /nfs/dbraw/zinc/01/26/97/931012697.db2.gz ZABMTSLMOCRFAN-QFBILLFUSA-N 2 1 356.466 3.921 20 0 FHADMP CC[C@H](C)Oc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1OC ZINC000684026360 931012712 /nfs/dbraw/zinc/01/27/12/931012712.db2.gz ZABMTSLMOCRFAN-QFBILLFUSA-N 2 1 356.466 3.921 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000580836771 931249552 /nfs/dbraw/zinc/24/95/52/931249552.db2.gz KETKJVATPBMOKQ-MSOLQXFVSA-N 2 1 357.542 3.823 20 0 FHADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684112991 931355215 /nfs/dbraw/zinc/35/52/15/931355215.db2.gz LJARGFUKOOOTOK-YPAWHYETSA-N 2 1 366.553 3.948 20 0 FHADMP CCC[N@H+](CCc1cccc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000581070421 931538806 /nfs/dbraw/zinc/53/88/06/931538806.db2.gz XUDVRDUSOHHZAW-UHFFFAOYSA-N 2 1 367.541 3.720 20 0 FHADMP CCC[N@@H+](CCc1cccc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000581070421 931538809 /nfs/dbraw/zinc/53/88/09/931538809.db2.gz XUDVRDUSOHHZAW-UHFFFAOYSA-N 2 1 367.541 3.720 20 0 FHADMP c1ccc2c(c1)CN(c1cc[nH+]c(NCC3CC[NH+](CC4CC4)CC3)n1)C2 ZINC000624410975 931554463 /nfs/dbraw/zinc/55/44/63/931554463.db2.gz OYPXRFCOAHAXCD-UHFFFAOYSA-N 2 1 363.509 3.531 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCc2ccncc2)cc1 ZINC000656403637 931592213 /nfs/dbraw/zinc/59/22/13/931592213.db2.gz BUAXKVMBZUCQNZ-KIHHCIJBSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCc2ccncc2)cc1 ZINC000656403637 931592218 /nfs/dbraw/zinc/59/22/18/931592218.db2.gz BUAXKVMBZUCQNZ-KIHHCIJBSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCc2ccncc2)cc1 ZINC000656403637 931592223 /nfs/dbraw/zinc/59/22/23/931592223.db2.gz BUAXKVMBZUCQNZ-KIHHCIJBSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCC3CCOCC3)C2)cc1 ZINC000656405111 931593190 /nfs/dbraw/zinc/59/31/90/931593190.db2.gz HVLYXXDRNISQBD-MLCQCVOFSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCC3CCOCC3)C2)cc1 ZINC000656405111 931593194 /nfs/dbraw/zinc/59/31/94/931593194.db2.gz HVLYXXDRNISQBD-MLCQCVOFSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCC3CCOCC3)C2)cc1 ZINC000656405111 931593206 /nfs/dbraw/zinc/59/32/06/931593206.db2.gz HVLYXXDRNISQBD-MLCQCVOFSA-N 2 1 354.538 3.646 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)o2)cc1 ZINC000581277813 931777241 /nfs/dbraw/zinc/77/72/41/931777241.db2.gz JHXBYWBNBJUHHW-MRXNPFEDSA-N 2 1 356.466 3.553 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)o2)cc1 ZINC000581277813 931777245 /nfs/dbraw/zinc/77/72/45/931777245.db2.gz JHXBYWBNBJUHHW-MRXNPFEDSA-N 2 1 356.466 3.553 20 0 FHADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H]1C[NH3+] ZINC000430559324 931845041 /nfs/dbraw/zinc/84/50/41/931845041.db2.gz WXLWPHKHXCWBMQ-UTKZUKDTSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H]1C[NH3+] ZINC000430559324 931845044 /nfs/dbraw/zinc/84/50/44/931845044.db2.gz WXLWPHKHXCWBMQ-UTKZUKDTSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510417483 931994656 /nfs/dbraw/zinc/99/46/56/931994656.db2.gz VPLCKSUBPSKUIW-QRVBRYPASA-N 2 1 368.521 3.722 20 0 FHADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000317563842 932123697 /nfs/dbraw/zinc/12/36/97/932123697.db2.gz VNUYYKICLNHEIL-HUUCEWRRSA-N 2 1 360.299 3.714 20 0 FHADMP COC(=O)c1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380363089 932183264 /nfs/dbraw/zinc/18/32/64/932183264.db2.gz JBMODINNJRWVQD-LJQANCHMSA-N 2 1 370.468 3.614 20 0 FHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380363089 932183276 /nfs/dbraw/zinc/18/32/76/932183276.db2.gz JBMODINNJRWVQD-LJQANCHMSA-N 2 1 370.468 3.614 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430611136 932255179 /nfs/dbraw/zinc/25/51/79/932255179.db2.gz NIFWXALQLHGALK-SFHVURJKSA-N 2 1 367.493 3.739 20 0 FHADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647169050 932340684 /nfs/dbraw/zinc/34/06/84/932340684.db2.gz WRYZUOASTBXQIA-HXUWFJFHSA-N 2 1 366.505 3.861 20 0 FHADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647169050 932340691 /nfs/dbraw/zinc/34/06/91/932340691.db2.gz WRYZUOASTBXQIA-HXUWFJFHSA-N 2 1 366.505 3.861 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342840 932376263 /nfs/dbraw/zinc/37/62/63/932376263.db2.gz JHBAAIVAIDRCSB-GHTZIAJQSA-N 2 1 359.558 3.719 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342840 932376270 /nfs/dbraw/zinc/37/62/70/932376270.db2.gz JHBAAIVAIDRCSB-GHTZIAJQSA-N 2 1 359.558 3.719 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342840 932376281 /nfs/dbraw/zinc/37/62/81/932376281.db2.gz JHBAAIVAIDRCSB-GHTZIAJQSA-N 2 1 359.558 3.719 20 0 FHADMP c1sc(COc2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784792 932419949 /nfs/dbraw/zinc/41/99/49/932419949.db2.gz HJSQWTYPFLTULX-GOSISDBHSA-N 2 1 371.550 3.934 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656787066 932426090 /nfs/dbraw/zinc/42/60/90/932426090.db2.gz ZTJHPXOWFDBQRN-JOCHJYFZSA-N 2 1 366.553 3.760 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000161029535 932649416 /nfs/dbraw/zinc/64/94/16/932649416.db2.gz SCLIVDCWEHQJLG-BBWFWOEESA-N 2 1 365.949 3.700 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581852339 932742796 /nfs/dbraw/zinc/74/27/96/932742796.db2.gz BEGUMMOTQXWCFE-BVGQSLNGSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581852339 932742800 /nfs/dbraw/zinc/74/28/00/932742800.db2.gz BEGUMMOTQXWCFE-BVGQSLNGSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000581852339 932742805 /nfs/dbraw/zinc/74/28/05/932742805.db2.gz BEGUMMOTQXWCFE-BVGQSLNGSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581852339 932742810 /nfs/dbraw/zinc/74/28/10/932742810.db2.gz BEGUMMOTQXWCFE-BVGQSLNGSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117610 933011061 /nfs/dbraw/zinc/01/10/61/933011061.db2.gz GLIOOYSTDOJXMS-FGTMMUONSA-N 2 1 353.551 3.629 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CCSCc1ccccc1 ZINC000430755566 933208541 /nfs/dbraw/zinc/20/85/41/933208541.db2.gz IULQCIMFRIICMI-QFIPXVFZSA-N 2 1 370.562 3.666 20 0 FHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000430914037 933400532 /nfs/dbraw/zinc/40/05/32/933400532.db2.gz HMDGBHRONICEJT-QHCPKHFHSA-N 2 1 373.560 3.941 20 0 FHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000430914037 933400534 /nfs/dbraw/zinc/40/05/34/933400534.db2.gz HMDGBHRONICEJT-QHCPKHFHSA-N 3 1 373.560 3.941 20 0 FHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000430914037 933400540 /nfs/dbraw/zinc/40/05/40/933400540.db2.gz HMDGBHRONICEJT-QHCPKHFHSA-N 3 1 373.560 3.941 20 0 FHADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000430917976 933404478 /nfs/dbraw/zinc/40/44/78/933404478.db2.gz FSRGSAGLBSXHMS-UHFFFAOYSA-N 2 1 369.534 3.708 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](c2ccccc2Cl)C(C)C)CC1 ZINC000089127531 933414398 /nfs/dbraw/zinc/41/43/98/933414398.db2.gz RITGQBNMTDUATI-FQEVSTJZSA-N 2 1 365.949 3.569 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](c2ccccc2Cl)C(C)C)CC1 ZINC000089127531 933414399 /nfs/dbraw/zinc/41/43/99/933414399.db2.gz RITGQBNMTDUATI-FQEVSTJZSA-N 2 1 365.949 3.569 20 0 FHADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000430948500 933473750 /nfs/dbraw/zinc/47/37/50/933473750.db2.gz JQIOLXCYCXVQDA-JHJVBQTASA-N 2 1 374.554 3.642 20 0 FHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000430968912 933527368 /nfs/dbraw/zinc/52/73/68/933527368.db2.gz XVTYABAMBKDNDO-INIZCTEOSA-N 2 1 366.896 3.973 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796541 933735177 /nfs/dbraw/zinc/73/51/77/933735177.db2.gz JIZINIFDLYLPLX-QZTJIDSGSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796541 933735181 /nfs/dbraw/zinc/73/51/81/933735181.db2.gz JIZINIFDLYLPLX-QZTJIDSGSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796541 933735186 /nfs/dbraw/zinc/73/51/86/933735186.db2.gz JIZINIFDLYLPLX-QZTJIDSGSA-N 2 1 357.542 3.521 20 0 FHADMP CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000431083094 933814404 /nfs/dbraw/zinc/81/44/04/933814404.db2.gz XPQPZYYIRKVTSD-ZDUSSCGKSA-N 2 1 372.340 3.635 20 0 FHADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000431083094 933814406 /nfs/dbraw/zinc/81/44/06/933814406.db2.gz XPQPZYYIRKVTSD-ZDUSSCGKSA-N 2 1 372.340 3.635 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837401 933834156 /nfs/dbraw/zinc/83/41/56/933834156.db2.gz LCBDVLCPYICHAP-ROUUACIJSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837401 933834162 /nfs/dbraw/zinc/83/41/62/933834162.db2.gz LCBDVLCPYICHAP-ROUUACIJSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837401 933834163 /nfs/dbraw/zinc/83/41/63/933834163.db2.gz LCBDVLCPYICHAP-ROUUACIJSA-N 2 1 357.542 3.664 20 0 FHADMP CN(CC[N@@H+](C)CCCc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000535664451 933984593 /nfs/dbraw/zinc/98/45/93/933984593.db2.gz APIRLDSMJOPVHG-UHFFFAOYSA-N 2 1 353.554 3.730 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000510984899 934254342 /nfs/dbraw/zinc/25/43/42/934254342.db2.gz YQYSWJWSGGGNAY-HNNXBMFYSA-N 2 1 352.251 3.760 20 0 FHADMP Oc1cccc2c(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc[nH+]c12 ZINC000684590879 934324194 /nfs/dbraw/zinc/32/41/94/934324194.db2.gz RPIHKONUPVZRAP-SFHVURJKSA-N 2 1 363.461 3.643 20 0 FHADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(SC)cc1OC ZINC000535813226 934406118 /nfs/dbraw/zinc/40/61/18/934406118.db2.gz UKBDCOIULMBAGH-UHFFFAOYSA-N 2 1 366.571 3.978 20 0 FHADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(I)cc1 ZINC000610807301 934450272 /nfs/dbraw/zinc/45/02/72/934450272.db2.gz MQQKLVPLXDVZFP-OAHLLOKOSA-N 2 1 369.250 3.537 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510987019 934467551 /nfs/dbraw/zinc/46/75/51/934467551.db2.gz QPLKEJILZIRXNN-CTNGQTDRSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510987019 934467555 /nfs/dbraw/zinc/46/75/55/934467555.db2.gz QPLKEJILZIRXNN-CTNGQTDRSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684611207 934505740 /nfs/dbraw/zinc/50/57/40/934505740.db2.gz CEKPVRJGEHPUTF-CRAIPNDOSA-N 2 1 370.459 3.869 20 0 FHADMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2c1 ZINC000074721479 934566841 /nfs/dbraw/zinc/56/68/41/934566841.db2.gz RQGGXQXRLHALRE-QGZVFWFLSA-N 2 1 354.494 3.718 20 0 FHADMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)c2c1 ZINC000074721479 934566844 /nfs/dbraw/zinc/56/68/44/934566844.db2.gz RQGGXQXRLHALRE-QGZVFWFLSA-N 2 1 354.494 3.718 20 0 FHADMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)c2c1 ZINC000074721479 934566846 /nfs/dbraw/zinc/56/68/46/934566846.db2.gz RQGGXQXRLHALRE-QGZVFWFLSA-N 2 1 354.494 3.718 20 0 FHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000090464262 934661992 /nfs/dbraw/zinc/66/19/92/934661992.db2.gz SLVSGAFDFVVMMM-UIFIKXQLSA-N 2 1 361.574 3.553 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000090464515 934671692 /nfs/dbraw/zinc/67/16/92/934671692.db2.gz XMCZLYHOQFRNRZ-IIBYNOLFSA-N 2 1 366.509 3.765 20 0 FHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000090465807 934729207 /nfs/dbraw/zinc/72/92/07/934729207.db2.gz NOFPWFUNZAYBMB-JRGCBEDISA-N 2 1 361.574 3.553 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236832219 934789514 /nfs/dbraw/zinc/78/95/14/934789514.db2.gz BKNCPUIBMKOUHF-HOJAQTOUSA-N 2 1 366.509 3.914 20 0 FHADMP Clc1ccc(Br)c(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090579537 934880818 /nfs/dbraw/zinc/88/08/18/934880818.db2.gz OQVMOFKPRXIFLO-HUUCEWRRSA-N 2 1 357.723 3.861 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014777 934891620 /nfs/dbraw/zinc/89/16/20/934891620.db2.gz XSDNKAMALUJUOV-WOJBJXKFSA-N 2 1 371.569 3.655 20 0 FHADMP CCSc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000472068624 934935078 /nfs/dbraw/zinc/93/50/78/934935078.db2.gz FUDGORODNBBOTR-UHFFFAOYSA-N 2 1 356.535 3.921 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657311141 935088789 /nfs/dbraw/zinc/08/87/89/935088789.db2.gz UFXXTBZNBMUBNG-SFHVURJKSA-N 2 1 352.526 3.815 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657313516 935141412 /nfs/dbraw/zinc/14/14/12/935141412.db2.gz IUYMAHNLDNVQJQ-QZTJIDSGSA-N 2 1 352.526 3.597 20 0 FHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000582026360 935142883 /nfs/dbraw/zinc/14/28/83/935142883.db2.gz DFUQTXLHXHBHKJ-CQSZACIVSA-N 2 1 363.889 3.535 20 0 FHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cnc2n1CCC2)C1CCCCC1 ZINC000657324478 935215506 /nfs/dbraw/zinc/21/55/06/935215506.db2.gz SSJODSGDFWMQAB-UHFFFAOYSA-N 2 1 352.526 3.884 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000157904988 935219580 /nfs/dbraw/zinc/21/95/80/935219580.db2.gz NMSSVBCNCMZNSC-CVEARBPZSA-N 2 1 366.937 3.554 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4ccncc4s3)c2)CCO1 ZINC000657328628 935230696 /nfs/dbraw/zinc/23/06/96/935230696.db2.gz BYVQPHHYEFKYES-MRXNPFEDSA-N 2 1 367.518 3.807 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4ccncc4s3)c2)CCO1 ZINC000657328628 935230698 /nfs/dbraw/zinc/23/06/98/935230698.db2.gz BYVQPHHYEFKYES-MRXNPFEDSA-N 2 1 367.518 3.807 20 0 FHADMP CC(C)[C@H]1C[NH+](CCCCC[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000559496718 935245832 /nfs/dbraw/zinc/24/58/32/935245832.db2.gz AVQLFAGPMAKZIW-NHCUHLMSSA-N 2 1 354.579 3.651 20 0 FHADMP Cn1ncc(C2CCC2)c1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335647 935259807 /nfs/dbraw/zinc/25/98/07/935259807.db2.gz RBTMTXOTTRMORA-LJQANCHMSA-N 2 1 352.526 3.689 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335647 935259813 /nfs/dbraw/zinc/25/98/13/935259813.db2.gz RBTMTXOTTRMORA-LJQANCHMSA-N 2 1 352.526 3.689 20 0 FHADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336737 935261805 /nfs/dbraw/zinc/26/18/05/935261805.db2.gz ZQVOXQSOEFKLIH-JOCHJYFZSA-N 2 1 358.526 3.599 20 0 FHADMP c1c2ccncc2sc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657351328 935315645 /nfs/dbraw/zinc/31/56/45/935315645.db2.gz CKLPVHDIYHRGGN-SFHVURJKSA-N 2 1 351.519 3.951 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582140534 935324815 /nfs/dbraw/zinc/32/48/15/935324815.db2.gz UWKPPBARSXMUJZ-SCTDSRPQSA-N 2 1 353.514 3.571 20 0 FHADMP Fc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(F)c1F ZINC000657356913 935339459 /nfs/dbraw/zinc/33/94/59/935339459.db2.gz IUHHVSKXVISWSK-UHFFFAOYSA-N 2 1 364.411 3.868 20 0 FHADMP O=C(c1ccccc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985044 945095444 /nfs/dbraw/zinc/09/54/44/945095444.db2.gz TVGVLIQWOULSPH-CBQGHPETSA-N 2 1 352.522 3.987 20 0 FHADMP O=C(c1ccccc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985044 945095450 /nfs/dbraw/zinc/09/54/50/945095450.db2.gz TVGVLIQWOULSPH-CBQGHPETSA-N 2 1 352.522 3.987 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000582181849 935382586 /nfs/dbraw/zinc/38/25/86/935382586.db2.gz VRSKDZDIAGIAAK-GKBFQHABSA-N 2 1 363.505 3.740 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657375216 935443645 /nfs/dbraw/zinc/44/36/45/935443645.db2.gz WOFZLACXDWBICM-JXFKEZNVSA-N 2 1 358.555 3.922 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657375216 935443647 /nfs/dbraw/zinc/44/36/47/935443647.db2.gz WOFZLACXDWBICM-JXFKEZNVSA-N 2 1 358.555 3.922 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374659 935453578 /nfs/dbraw/zinc/45/35/78/935453578.db2.gz PHLIDWBEIBGKJH-MLGOLLRUSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374659 935453581 /nfs/dbraw/zinc/45/35/81/935453581.db2.gz PHLIDWBEIBGKJH-MLGOLLRUSA-N 2 1 372.460 3.673 20 0 FHADMP CCC[N@@H+](C)C[C@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167559164 935466541 /nfs/dbraw/zinc/46/65/41/935466541.db2.gz YLYSWIDFFQIXFS-XMMPIXPASA-N 2 1 371.613 3.995 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268206 935470322 /nfs/dbraw/zinc/47/03/22/935470322.db2.gz CNKSELKMSORUGJ-MSOLQXFVSA-N 2 1 372.475 3.637 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268206 935470325 /nfs/dbraw/zinc/47/03/25/935470325.db2.gz CNKSELKMSORUGJ-MSOLQXFVSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268206 935470327 /nfs/dbraw/zinc/47/03/27/935470327.db2.gz CNKSELKMSORUGJ-MSOLQXFVSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268206 935470330 /nfs/dbraw/zinc/47/03/30/935470330.db2.gz CNKSELKMSORUGJ-MSOLQXFVSA-N 2 1 372.475 3.637 20 0 FHADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719410 935480332 /nfs/dbraw/zinc/48/03/32/935480332.db2.gz AARNVTJOZLTWOB-TZIWHRDSSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548719410 935480338 /nfs/dbraw/zinc/48/03/38/935480338.db2.gz AARNVTJOZLTWOB-TZIWHRDSSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548719410 935480340 /nfs/dbraw/zinc/48/03/40/935480340.db2.gz AARNVTJOZLTWOB-TZIWHRDSSA-N 2 1 371.569 3.668 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000511111862 935621602 /nfs/dbraw/zinc/62/16/02/935621602.db2.gz YYVFUJWBPSGNBK-UHFFFAOYSA-N 2 1 367.537 3.910 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657414894 935630327 /nfs/dbraw/zinc/63/03/27/935630327.db2.gz FWIDCIAHAZYKBW-RXVVDRJESA-N 2 1 352.526 3.683 20 0 FHADMP CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000072895398 935658968 /nfs/dbraw/zinc/65/89/68/935658968.db2.gz UXIPJHXFQXPSPY-QFIPXVFZSA-N 2 1 365.521 3.592 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000657428786 935703537 /nfs/dbraw/zinc/70/35/37/935703537.db2.gz BCUIHHISVKWRFP-JOCHJYFZSA-N 2 1 368.521 3.640 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccncc2s1 ZINC000657430988 935714995 /nfs/dbraw/zinc/71/49/95/935714995.db2.gz XDVZSZOIXMEUCR-IBGZPJMESA-N 2 1 367.518 3.543 20 0 FHADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(CC2CC2)n1 ZINC000657433252 935723368 /nfs/dbraw/zinc/72/33/68/935723368.db2.gz YWTTYFOCGOTFCO-MDNUFGMLSA-N 2 1 364.537 3.683 20 0 FHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2C1 ZINC000582462018 935737483 /nfs/dbraw/zinc/73/74/83/935737483.db2.gz SVBLCZRAOCLGBR-UHFFFAOYSA-N 2 1 351.494 3.972 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000152843055 935870815 /nfs/dbraw/zinc/87/08/15/935870815.db2.gz BLEXZPRXYQMTSJ-JOCHJYFZSA-N 2 1 353.510 3.838 20 0 FHADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152898021 935886268 /nfs/dbraw/zinc/88/62/68/935886268.db2.gz FVJUNIJTXPXTEO-SFHVURJKSA-N 2 1 353.510 3.838 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1)C1CC1 ZINC000511182470 935959770 /nfs/dbraw/zinc/95/97/70/935959770.db2.gz DGKPGOZAOYHHFS-UHFFFAOYSA-N 2 1 351.494 3.985 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000077372451 936046053 /nfs/dbraw/zinc/04/60/53/936046053.db2.gz NVDUTMGUHPEQCF-LJQANCHMSA-N 2 1 371.569 3.839 20 0 FHADMP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ncc1Br ZINC000628149633 936074422 /nfs/dbraw/zinc/07/44/22/936074422.db2.gz HPTBOBUOMQHDLC-UHFFFAOYSA-N 2 1 354.336 3.705 20 0 FHADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ncc1Br ZINC000628149633 936074426 /nfs/dbraw/zinc/07/44/26/936074426.db2.gz HPTBOBUOMQHDLC-UHFFFAOYSA-N 2 1 354.336 3.705 20 0 FHADMP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596101 936076561 /nfs/dbraw/zinc/07/65/61/936076561.db2.gz UTHICUBYIPZIIM-QFIPXVFZSA-N 2 1 352.522 3.841 20 0 FHADMP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657596602 936080345 /nfs/dbraw/zinc/08/03/45/936080345.db2.gz OTZCVAMXCQKFAJ-GOSISDBHSA-N 2 1 358.551 3.902 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cc2)C1 ZINC000657597654 936080964 /nfs/dbraw/zinc/08/09/64/936080964.db2.gz WDDIFHNAPIKBAJ-HSZRJFAPSA-N 2 1 350.506 3.811 20 0 FHADMP Brc1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660775 936182120 /nfs/dbraw/zinc/18/21/20/936182120.db2.gz RBWHIUAZIGRKJY-ZWKOTPCHSA-N 2 1 363.343 3.988 20 0 FHADMP CN(c1ccccc1CNc1ccc2c(c1)C[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000121307403 936309085 /nfs/dbraw/zinc/30/90/85/936309085.db2.gz MAEYOPTVYJVGRH-UHFFFAOYSA-N 2 1 364.537 3.775 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc12 ZINC000650706099 938285336 /nfs/dbraw/zinc/28/53/36/938285336.db2.gz DFUMCUKKUWQJJJ-NPPFBWRTSA-N 2 1 354.494 3.567 20 0 FHADMP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514205 938288506 /nfs/dbraw/zinc/28/85/06/938288506.db2.gz NHZNFBNHCCKTKG-CTUHWIOQSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514205 938288507 /nfs/dbraw/zinc/28/85/07/938288507.db2.gz NHZNFBNHCCKTKG-CTUHWIOQSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000583514205 938288509 /nfs/dbraw/zinc/28/85/09/938288509.db2.gz NHZNFBNHCCKTKG-CTUHWIOQSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000583514205 938288511 /nfs/dbraw/zinc/28/85/11/938288511.db2.gz NHZNFBNHCCKTKG-CTUHWIOQSA-N 2 1 363.549 3.858 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163147738 938290105 /nfs/dbraw/zinc/29/01/05/938290105.db2.gz UUGAUCVFOGGFBN-GDBMZVCRSA-N 2 1 366.431 3.716 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292057 938300799 /nfs/dbraw/zinc/30/07/99/938300799.db2.gz KQYQISUJFQVTAQ-PKOBYXMFSA-N 2 1 357.498 3.835 20 0 FHADMP FC(F)Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771329 938307025 /nfs/dbraw/zinc/30/70/25/938307025.db2.gz BIXHHGGTBMZUJR-IBGZPJMESA-N 2 1 374.479 3.540 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128527327 938310087 /nfs/dbraw/zinc/31/00/87/938310087.db2.gz QDRHYIALPPLPFC-QGZVFWFLSA-N 2 1 372.582 3.797 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OC3CCCC3)c2)C1 ZINC000650721934 938310388 /nfs/dbraw/zinc/31/03/88/938310388.db2.gz GMMGIZRIRGRDKU-BVYCBKJFSA-N 2 1 358.526 3.869 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000650725197 938313160 /nfs/dbraw/zinc/31/31/60/938313160.db2.gz VMQUPOAYZYENOM-SNPRPXQTSA-N 2 1 361.288 3.993 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000650725197 938313162 /nfs/dbraw/zinc/31/31/62/938313162.db2.gz VMQUPOAYZYENOM-SNPRPXQTSA-N 2 1 361.288 3.993 20 0 FHADMP CN(C)c1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773062 938314683 /nfs/dbraw/zinc/31/46/83/938314683.db2.gz YSISYFWKFAXTEY-SFHVURJKSA-N 2 1 370.566 3.601 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774103 938318664 /nfs/dbraw/zinc/31/86/64/938318664.db2.gz XCOFSOUIGXHAGI-NHCUHLMSSA-N 2 1 354.538 3.980 20 0 FHADMP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)nc1 ZINC000583689008 938361985 /nfs/dbraw/zinc/36/19/85/938361985.db2.gz OKTPWTDFWJRNEN-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000246489656 938368867 /nfs/dbraw/zinc/36/88/67/938368867.db2.gz PEIFINADZCPJLF-AQNXPRMDSA-N 2 1 371.569 3.703 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000507357446 945170522 /nfs/dbraw/zinc/17/05/22/945170522.db2.gz HKORGSVMAQGPJH-UHFFFAOYSA-N 2 1 353.510 3.965 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000507357446 945170527 /nfs/dbraw/zinc/17/05/27/945170527.db2.gz HKORGSVMAQGPJH-UHFFFAOYSA-N 2 1 353.510 3.965 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000151145489 938413830 /nfs/dbraw/zinc/41/38/30/938413830.db2.gz VYPWYKZSSNNDOR-QGZVFWFLSA-N 2 1 367.541 3.689 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000151145489 938413832 /nfs/dbraw/zinc/41/38/32/938413832.db2.gz VYPWYKZSSNNDOR-QGZVFWFLSA-N 2 1 367.541 3.689 20 0 FHADMP CCOC(=O)CC(C)(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562061921 938415898 /nfs/dbraw/zinc/41/58/98/938415898.db2.gz UVLDBAQTOAUFNM-SFTDATJTSA-N 2 1 372.553 3.810 20 0 FHADMP CCOC(=O)CC(C)(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061921 938415900 /nfs/dbraw/zinc/41/59/00/938415900.db2.gz UVLDBAQTOAUFNM-SFTDATJTSA-N 2 1 372.553 3.810 20 0 FHADMP CCOC(=O)CC(C)(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061921 938415901 /nfs/dbraw/zinc/41/59/01/938415901.db2.gz UVLDBAQTOAUFNM-SFTDATJTSA-N 2 1 372.553 3.810 20 0 FHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803311 938422670 /nfs/dbraw/zinc/42/26/70/938422670.db2.gz GCGYRQZAVXOTRP-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803311 938422671 /nfs/dbraw/zinc/42/26/71/938422671.db2.gz GCGYRQZAVXOTRP-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803311 938422673 /nfs/dbraw/zinc/42/26/73/938422673.db2.gz GCGYRQZAVXOTRP-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803311 938422674 /nfs/dbraw/zinc/42/26/74/938422674.db2.gz GCGYRQZAVXOTRP-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516714357 945177334 /nfs/dbraw/zinc/17/73/34/945177334.db2.gz LEDVSNXYRZMCOT-FUKQBSRTSA-N 2 1 352.522 3.651 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H]2CCC[C@@H]21 ZINC000583887956 938467904 /nfs/dbraw/zinc/46/79/04/938467904.db2.gz LGGCIYBGQODDCQ-MDUILUSMSA-N 2 1 351.897 3.520 20 0 FHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583895282 938471183 /nfs/dbraw/zinc/47/11/83/938471183.db2.gz FWSJVXXQVLGOQI-FXAWDEMLSA-N 2 1 354.469 3.933 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538275 945179664 /nfs/dbraw/zinc/17/96/64/945179664.db2.gz NSGKJOWLLBLZDS-KZNAEPCWSA-N 2 1 358.448 3.632 20 0 FHADMP CC[C@H](CC(F)F)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538315 945179847 /nfs/dbraw/zinc/17/98/47/945179847.db2.gz ONQHWDZIOAATIQ-UYAOXDASSA-N 2 1 365.512 3.560 20 0 FHADMP CC[C@H](CC(F)F)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538314 945180216 /nfs/dbraw/zinc/18/02/16/945180216.db2.gz ONQHWDZIOAATIQ-QUCCMNQESA-N 2 1 365.512 3.560 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000583963818 938508027 /nfs/dbraw/zinc/50/80/27/938508027.db2.gz DDWRPDKSPIVYHQ-FQEVSTJZSA-N 2 1 368.569 3.937 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583963818 938508030 /nfs/dbraw/zinc/50/80/30/938508030.db2.gz DDWRPDKSPIVYHQ-FQEVSTJZSA-N 2 1 368.569 3.937 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000583963819 938508249 /nfs/dbraw/zinc/50/82/49/938508249.db2.gz DDWRPDKSPIVYHQ-HXUWFJFHSA-N 2 1 368.569 3.937 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000583963819 938508251 /nfs/dbraw/zinc/50/82/51/938508251.db2.gz DDWRPDKSPIVYHQ-HXUWFJFHSA-N 2 1 368.569 3.937 20 0 FHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(OCc2ccccc2)c1 ZINC000151354179 938533003 /nfs/dbraw/zinc/53/30/03/938533003.db2.gz HLXIBNRUAULCFQ-IBGZPJMESA-N 2 1 368.521 3.763 20 0 FHADMP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133026632 938555131 /nfs/dbraw/zinc/55/51/31/938555131.db2.gz XEDCXFYENRSYOQ-YLJYHZDGSA-N 2 1 356.510 3.523 20 0 FHADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)OC ZINC000584172375 938626095 /nfs/dbraw/zinc/62/60/95/938626095.db2.gz NCAPBIGYXXWPJS-IBGZPJMESA-N 2 1 358.526 3.753 20 0 FHADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)OC ZINC000584172375 938626097 /nfs/dbraw/zinc/62/60/97/938626097.db2.gz NCAPBIGYXXWPJS-IBGZPJMESA-N 2 1 358.526 3.753 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657834760 938632285 /nfs/dbraw/zinc/63/22/85/938632285.db2.gz BJGKGHFQXSUTSF-AUSIDOKSSA-N 2 1 374.569 3.840 20 0 FHADMP Cc1cccc(C[NH+]2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC000159325158 938657490 /nfs/dbraw/zinc/65/74/90/938657490.db2.gz LQNAHWPKIXQSHR-UHFFFAOYSA-N 2 1 369.475 3.576 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000506747788 945195049 /nfs/dbraw/zinc/19/50/49/945195049.db2.gz OZROPZCAIDVLLK-KRWDZBQOSA-N 2 1 355.448 3.603 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000657838608 938676369 /nfs/dbraw/zinc/67/63/69/938676369.db2.gz WQALRCPGQMTVIO-AUSIDOKSSA-N 2 1 374.569 3.982 20 0 FHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000584346557 938694299 /nfs/dbraw/zinc/69/42/99/938694299.db2.gz PYPKIZGSIATXOM-KNQAVFIVSA-N 2 1 368.521 3.550 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657839973 938703095 /nfs/dbraw/zinc/70/30/95/938703095.db2.gz JSKRGWNNDHOXRH-UEXGIBASSA-N 2 1 352.526 3.986 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000657842966 938707915 /nfs/dbraw/zinc/70/79/15/938707915.db2.gz LRISAKMQPDAZNU-INIZCTEOSA-N 2 1 374.479 3.617 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000657842968 938707966 /nfs/dbraw/zinc/70/79/66/938707966.db2.gz LRISAKMQPDAZNU-MRXNPFEDSA-N 2 1 374.479 3.617 20 0 FHADMP CCSc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000187788170 938783053 /nfs/dbraw/zinc/78/30/53/938783053.db2.gz WJAXIQLKLFCJPR-UHFFFAOYSA-N 2 1 355.551 3.990 20 0 FHADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000584418359 938844960 /nfs/dbraw/zinc/84/49/60/938844960.db2.gz SHAMDRRVGDCZRE-UHFFFAOYSA-N 2 1 367.415 3.667 20 0 FHADMP C[C@H]1C[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090708797 938881995 /nfs/dbraw/zinc/88/19/95/938881995.db2.gz JJJDXXCTNGHUTH-HKUYNNGSSA-N 2 1 370.566 3.612 20 0 FHADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104943 938925942 /nfs/dbraw/zinc/92/59/42/938925942.db2.gz RVPHMQDTJPCSFV-BJKOFHAPSA-N 2 1 363.549 3.540 20 0 FHADMP CN(C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428165 938985336 /nfs/dbraw/zinc/98/53/36/938985336.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428165 938985337 /nfs/dbraw/zinc/98/53/37/938985337.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428165 938985338 /nfs/dbraw/zinc/98/53/38/938985338.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457909 938988012 /nfs/dbraw/zinc/98/80/12/938988012.db2.gz SEQBNZVUXKUFGF-HXUWFJFHSA-N 2 1 371.500 3.686 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685462140 938988500 /nfs/dbraw/zinc/98/85/00/938988500.db2.gz HMVBYQHDJNYDMW-UHFFFAOYSA-N 2 1 363.465 3.860 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685462140 938988501 /nfs/dbraw/zinc/98/85/01/938988501.db2.gz HMVBYQHDJNYDMW-UHFFFAOYSA-N 2 1 363.465 3.860 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000685464198 938988850 /nfs/dbraw/zinc/98/88/50/938988850.db2.gz DJWWQWHBGAHNII-VXKWHMMOSA-N 2 1 372.553 3.800 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708563116 938991522 /nfs/dbraw/zinc/99/15/22/938991522.db2.gz USDXXKGDBJWUTG-SFHLNBCPSA-N 2 1 365.521 3.761 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C(F)F)nc3)CC2)nc(C)[nH+]1 ZINC000657901759 938993240 /nfs/dbraw/zinc/99/32/40/938993240.db2.gz VMGPMPCZYMPVAW-CYBMUJFWSA-N 2 1 361.440 3.746 20 0 FHADMP CCC[N@H+](Cc1oc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000685568368 939001390 /nfs/dbraw/zinc/00/13/90/939001390.db2.gz WBSJYLJQMKZDMI-UHFFFAOYSA-N 2 1 357.502 3.579 20 0 FHADMP CCC[N@@H+](Cc1oc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000685568368 939001391 /nfs/dbraw/zinc/00/13/91/939001391.db2.gz WBSJYLJQMKZDMI-UHFFFAOYSA-N 2 1 357.502 3.579 20 0 FHADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2oc(C)nc2C)cc1 ZINC000685570501 939001846 /nfs/dbraw/zinc/00/18/46/939001846.db2.gz FBRWIJJZMNMXEQ-UHFFFAOYSA-N 2 1 368.481 3.979 20 0 FHADMP CCOc1ccc(CN(CCCn2ccnc2)Cc2oc(C)nc2C)cc1 ZINC000685570501 939001847 /nfs/dbraw/zinc/00/18/47/939001847.db2.gz FBRWIJJZMNMXEQ-UHFFFAOYSA-N 2 1 368.481 3.979 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000289447711 939009306 /nfs/dbraw/zinc/00/93/06/939009306.db2.gz BIIHURRPAVJMDI-WMZOPIPTSA-N 2 1 354.498 3.724 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000289447711 939009307 /nfs/dbraw/zinc/00/93/07/939009307.db2.gz BIIHURRPAVJMDI-WMZOPIPTSA-N 2 1 354.498 3.724 20 0 FHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142908 939035606 /nfs/dbraw/zinc/03/56/06/939035606.db2.gz ZVAVSQBZTVQTEG-OAOOKAIFSA-N 2 1 350.506 3.666 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143566 939036766 /nfs/dbraw/zinc/03/67/66/939036766.db2.gz ZIHJFUMDWVEVHB-KXBFYZLASA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144666 939036937 /nfs/dbraw/zinc/03/69/37/939036937.db2.gz NLXMHGWIAPOTBK-XJKSGUPXSA-N 2 1 350.915 3.819 20 0 FHADMP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137191 939040731 /nfs/dbraw/zinc/04/07/31/939040731.db2.gz JROHRFZNJFSHKS-LAUBAEHRSA-N 2 1 370.562 3.696 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138852 939041121 /nfs/dbraw/zinc/04/11/21/939041121.db2.gz OOICFGUOBJSCFK-TZIWHRDSSA-N 2 1 356.897 3.684 20 0 FHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137443 939041254 /nfs/dbraw/zinc/04/12/54/939041254.db2.gz GVCVSBPXOFDJLN-JTSKRJEESA-N 2 1 356.485 3.503 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658212800 939077085 /nfs/dbraw/zinc/07/70/85/939077085.db2.gz MFIUVWXXFKZVPC-NNWRFLSQSA-N 2 1 364.537 3.830 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658212800 939077086 /nfs/dbraw/zinc/07/70/86/939077086.db2.gz MFIUVWXXFKZVPC-NNWRFLSQSA-N 2 1 364.537 3.830 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319467 939111380 /nfs/dbraw/zinc/11/13/80/939111380.db2.gz BSVSFBBMLDZJRL-VQTJNVASSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319467 939111383 /nfs/dbraw/zinc/11/13/83/939111383.db2.gz BSVSFBBMLDZJRL-VQTJNVASSA-N 2 1 352.526 3.763 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H](C)O)CC1 ZINC000658356742 939125307 /nfs/dbraw/zinc/12/53/07/939125307.db2.gz LUSWUWTZQSLDTM-MSYCTHLASA-N 2 1 352.522 3.794 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000163424325 939202230 /nfs/dbraw/zinc/20/22/30/939202230.db2.gz KHSRCDQYUYWGMM-HZMBPMFUSA-N 2 1 351.705 3.955 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000427276397 945246012 /nfs/dbraw/zinc/24/60/12/945246012.db2.gz WNYYBYZAIGAILQ-IBGZPJMESA-N 2 1 359.558 3.705 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507493792 945266566 /nfs/dbraw/zinc/26/65/66/945266566.db2.gz HXKJDPBKZNCXOC-IYBDPMFKSA-N 2 1 363.512 3.749 20 0 FHADMP COc1cc2c(cc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)O[C@@H](C)C2 ZINC000518267609 945271504 /nfs/dbraw/zinc/27/15/04/945271504.db2.gz NILCKVYUUOQGQS-KSZLIROESA-N 2 1 360.542 3.866 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)s2)[C@H](c2ccccc2)C1 ZINC000518269690 945274631 /nfs/dbraw/zinc/27/46/31/945274631.db2.gz KLHGKSKSIVMTPR-SFHVURJKSA-N 2 1 363.958 3.870 20 0 FHADMP CSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000507507055 945286636 /nfs/dbraw/zinc/28/66/36/945286636.db2.gz HBSCYYGXLHKPSX-VAMGGRTRSA-N 2 1 353.535 3.804 20 0 FHADMP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000151970276 940038153 /nfs/dbraw/zinc/03/81/53/940038153.db2.gz MBVOKRADJKVQJX-HXUWFJFHSA-N 2 1 365.606 3.760 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000375902006 940040695 /nfs/dbraw/zinc/04/06/95/940040695.db2.gz DVMUDTHGRYKDPI-SFHVURJKSA-N 2 1 367.990 3.532 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCCC5)[C@H]3C2)cc1 ZINC000507519943 945298754 /nfs/dbraw/zinc/29/87/54/945298754.db2.gz LQGVXYUROCZODA-CSCWZEDUSA-N 2 1 366.549 3.834 20 0 FHADMP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472445469 940168024 /nfs/dbraw/zinc/16/80/24/940168024.db2.gz FMTQSRZNJSUIJW-SBHAEUEKSA-N 2 1 374.573 3.584 20 0 FHADMP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472445471 940168151 /nfs/dbraw/zinc/16/81/51/940168151.db2.gz FMTQSRZNJSUIJW-SVFBPWRDSA-N 2 1 374.573 3.584 20 0 FHADMP COCc1cccc(OCC2(C[NH+]3CCC([NH2+]CC4CC4)CC3)CCC2)c1 ZINC000570280881 940232338 /nfs/dbraw/zinc/23/23/38/940232338.db2.gz NDCGSEPMUDZHCN-UHFFFAOYSA-N 2 1 372.553 3.846 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000584499352 940269633 /nfs/dbraw/zinc/26/96/33/940269633.db2.gz HVXSQEKHZLGBKD-NMIHRBCNSA-N 2 1 360.542 3.633 20 0 FHADMP CCOc1cccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000162267047 940296387 /nfs/dbraw/zinc/29/63/87/940296387.db2.gz URVFFIUGOIFGNC-MRXNPFEDSA-N 2 1 354.498 3.812 20 0 FHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000289772839 940394915 /nfs/dbraw/zinc/39/49/15/940394915.db2.gz JXNXCSJGKAVFTM-QRVBRYPASA-N 2 1 370.459 3.988 20 0 FHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000289772843 940395400 /nfs/dbraw/zinc/39/54/00/940395400.db2.gz JXNXCSJGKAVFTM-QYZOEREBSA-N 2 1 370.459 3.988 20 0 FHADMP c1c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2n1CCCC2 ZINC000376164088 940397053 /nfs/dbraw/zinc/39/70/53/940397053.db2.gz DBVXFECRIGXMFL-DKUWSORSSA-N 2 1 364.537 3.547 20 0 FHADMP c1c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2n1CCCC2 ZINC000376164090 940397181 /nfs/dbraw/zinc/39/71/81/940397181.db2.gz DBVXFECRIGXMFL-KOUNCHBCSA-N 2 1 364.537 3.547 20 0 FHADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177194 940422842 /nfs/dbraw/zinc/42/28/42/940422842.db2.gz GAURJKXEJGGWFR-QHCPKHFHSA-N 2 1 365.521 3.592 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000431728408 940428849 /nfs/dbraw/zinc/42/88/49/940428849.db2.gz NIMSMPOQRNSGQG-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000431728408 940428853 /nfs/dbraw/zinc/42/88/53/940428853.db2.gz NIMSMPOQRNSGQG-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000431728408 940428855 /nfs/dbraw/zinc/42/88/55/940428855.db2.gz NIMSMPOQRNSGQG-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000472503095 940445505 /nfs/dbraw/zinc/44/55/05/940445505.db2.gz RVSDZFNBVAPBOF-CUXKYVRBSA-N 2 1 371.569 3.524 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414060235 940469458 /nfs/dbraw/zinc/46/94/58/940469458.db2.gz ASVYWOGMDOXDMG-HKUYNNGSSA-N 2 1 350.934 3.803 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000282330093 940641389 /nfs/dbraw/zinc/64/13/89/940641389.db2.gz FSXAGUOLAIGZBW-HXUWFJFHSA-N 2 1 358.526 3.562 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000282330093 940641390 /nfs/dbraw/zinc/64/13/90/940641390.db2.gz FSXAGUOLAIGZBW-HXUWFJFHSA-N 2 1 358.526 3.562 20 0 FHADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000647505646 940672257 /nfs/dbraw/zinc/67/22/57/940672257.db2.gz OCKFHKHAEUCHEW-UHFFFAOYSA-N 2 1 372.509 3.700 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@@H]1C ZINC000414151812 940680959 /nfs/dbraw/zinc/68/09/59/940680959.db2.gz WPQJEFKPPYKGBX-FKVLARQCSA-N 2 1 356.554 3.939 20 0 FHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189903 940737255 /nfs/dbraw/zinc/73/72/55/940737255.db2.gz RNEVGFAUCDKVKM-GDBMZVCRSA-N 2 1 361.921 3.612 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000613493179 940773140 /nfs/dbraw/zinc/77/31/40/940773140.db2.gz YREDUPNOLOXZNM-UHFFFAOYSA-N 2 1 373.585 3.868 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000613492345 940775754 /nfs/dbraw/zinc/77/57/54/940775754.db2.gz IJUKTSKVIRRKGV-HXUWFJFHSA-N 2 1 373.585 3.925 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219497 940787237 /nfs/dbraw/zinc/78/72/37/940787237.db2.gz HMVXLJXPKQDFEX-TYFWRSTJSA-N 2 1 350.506 3.942 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219497 940787238 /nfs/dbraw/zinc/78/72/38/940787238.db2.gz HMVXLJXPKQDFEX-TYFWRSTJSA-N 2 1 350.506 3.942 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892579932 940826655 /nfs/dbraw/zinc/82/66/55/940826655.db2.gz DCQKPZSMOTYQBU-QGZVFWFLSA-N 2 1 352.526 3.819 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000414296431 940912685 /nfs/dbraw/zinc/91/26/85/940912685.db2.gz RKNYGXKVHCECRL-HNAYVOBHSA-N 2 1 353.441 3.747 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414297126 940913561 /nfs/dbraw/zinc/91/35/61/940913561.db2.gz SAYVTWKJPMPFHV-RBKXMNCYSA-N 2 1 370.512 3.934 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161286962 940915122 /nfs/dbraw/zinc/91/51/22/940915122.db2.gz WFKCULRCGMXQJE-GOSISDBHSA-N 2 1 358.526 3.836 20 0 FHADMP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601621 941001350 /nfs/dbraw/zinc/00/13/50/941001350.db2.gz IRFMQZVTVMKPOA-JKSUJKDBSA-N 2 1 354.441 3.651 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601621 941001354 /nfs/dbraw/zinc/00/13/54/941001354.db2.gz IRFMQZVTVMKPOA-JKSUJKDBSA-N 2 1 354.441 3.651 20 0 FHADMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1C(F)(F)F ZINC000414365557 941057595 /nfs/dbraw/zinc/05/75/95/941057595.db2.gz OSUNYJDCSYEGNS-UHFFFAOYSA-N 2 1 358.448 3.993 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)nc1 ZINC000647543925 941065743 /nfs/dbraw/zinc/06/57/43/941065743.db2.gz ULPXDBLRUGUJTF-LEWJYISDSA-N 2 1 365.521 3.872 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544015 941065866 /nfs/dbraw/zinc/06/58/66/941065866.db2.gz VOOQMCSRTQRRIG-HZPDHXFCSA-N 2 1 367.331 3.669 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)nc1 ZINC000647543927 941065875 /nfs/dbraw/zinc/06/58/75/941065875.db2.gz ULPXDBLRUGUJTF-RTWAWAEBSA-N 2 1 365.521 3.872 20 0 FHADMP C[NH2+][C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000659296017 941150437 /nfs/dbraw/zinc/15/04/37/941150437.db2.gz IQXUJENFGHNFGK-QGZVFWFLSA-N 2 1 364.276 3.538 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248431 941211725 /nfs/dbraw/zinc/21/17/25/941211725.db2.gz AIXZABIKLWQZGK-QAPCUYQASA-N 2 1 355.457 3.696 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000166239875 941227939 /nfs/dbraw/zinc/22/79/39/941227939.db2.gz RAJMKXLAFYFLEE-RXVVDRJESA-N 2 1 362.477 3.833 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000311697180 941360634 /nfs/dbraw/zinc/36/06/34/941360634.db2.gz TZXZOTAPHXHKOZ-ICSRJNTNSA-N 2 1 353.510 3.707 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000311697180 941360636 /nfs/dbraw/zinc/36/06/36/941360636.db2.gz TZXZOTAPHXHKOZ-ICSRJNTNSA-N 2 1 353.510 3.707 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000376690879 941374189 /nfs/dbraw/zinc/37/41/89/941374189.db2.gz RCHVPINVLAPDMJ-XRUXWCASSA-N 2 1 356.510 3.775 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146617 941527086 /nfs/dbraw/zinc/52/70/86/941527086.db2.gz VCZHZWIXKAOYGI-TZYHBYERSA-N 2 1 350.506 3.801 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146616 941527157 /nfs/dbraw/zinc/52/71/57/941527157.db2.gz VCZHZWIXKAOYGI-LEOXJPRUSA-N 2 1 350.506 3.801 20 0 FHADMP CCOc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000613644692 941541062 /nfs/dbraw/zinc/54/10/62/941541062.db2.gz WVNIZQRVXLUENW-UHFFFAOYSA-N 2 1 373.541 3.612 20 0 FHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415052938 941568114 /nfs/dbraw/zinc/56/81/14/941568114.db2.gz JDGVUAVGLVHISV-GFCCVEGCSA-N 2 1 351.235 3.514 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059424 941570920 /nfs/dbraw/zinc/57/09/20/941570920.db2.gz WWLOURZPWBLDRR-IRLDBZIGSA-N 2 1 351.494 3.625 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058760 941570992 /nfs/dbraw/zinc/57/09/92/941570992.db2.gz WETWCIHSZSRMTK-GHTZIAJQSA-N 2 1 371.550 3.995 20 0 FHADMP CCCCCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415061009 941579472 /nfs/dbraw/zinc/57/94/72/941579472.db2.gz XQLHTRHPJLBSIK-UHFFFAOYSA-N 2 1 359.558 3.562 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690435 941581614 /nfs/dbraw/zinc/58/16/14/941581614.db2.gz KGSXQRBWUXJARK-IEBWSBKVSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690435 941581616 /nfs/dbraw/zinc/58/16/16/941581616.db2.gz KGSXQRBWUXJARK-IEBWSBKVSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690435 941581620 /nfs/dbraw/zinc/58/16/20/941581620.db2.gz KGSXQRBWUXJARK-IEBWSBKVSA-N 2 1 372.488 3.930 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690436 941581737 /nfs/dbraw/zinc/58/17/37/941581737.db2.gz KGSXQRBWUXJARK-MJGOQNOKSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690436 941581743 /nfs/dbraw/zinc/58/17/43/941581743.db2.gz KGSXQRBWUXJARK-MJGOQNOKSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690436 941581746 /nfs/dbraw/zinc/58/17/46/941581746.db2.gz KGSXQRBWUXJARK-MJGOQNOKSA-N 2 1 372.488 3.930 20 0 FHADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415078271 941587736 /nfs/dbraw/zinc/58/77/36/941587736.db2.gz GHOFUZHCDVKFPZ-NHCUHLMSSA-N 2 1 365.521 3.747 20 0 FHADMP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)cc1 ZINC000415083444 941592771 /nfs/dbraw/zinc/59/27/71/941592771.db2.gz FKMFORHEOKLMNO-ZEQRLZLVSA-N 3 1 363.549 3.982 20 0 FHADMP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)cc1 ZINC000415083442 941592960 /nfs/dbraw/zinc/59/29/60/941592960.db2.gz FKMFORHEOKLMNO-DNQXCXABSA-N 3 1 363.549 3.982 20 0 FHADMP COc1ccc(CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415083535 941592978 /nfs/dbraw/zinc/59/29/78/941592978.db2.gz NPIYRHWRXVBTDE-VQTJNVASSA-N 2 1 354.494 3.719 20 0 FHADMP CCCOc1ccccc1Oc1ncccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415093517 941602191 /nfs/dbraw/zinc/60/21/91/941602191.db2.gz VMLSIGOJPULNGV-KRWDZBQOSA-N 2 1 355.482 3.752 20 0 FHADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415123858 941620090 /nfs/dbraw/zinc/62/00/90/941620090.db2.gz JUZWNFVQGZGMGI-OCCSQVGLSA-N 2 1 352.404 3.512 20 0 FHADMP CC[C@](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)(C(=O)OC)c1ccccc1 ZINC000415139155 941626858 /nfs/dbraw/zinc/62/68/58/941626858.db2.gz LAVSNAKGBGRKBN-FUPPJEDESA-N 2 1 366.505 3.590 20 0 FHADMP Cn1nc(CCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000472754337 941682750 /nfs/dbraw/zinc/68/27/50/941682750.db2.gz PPPOZKDGAGFYOW-NRFANRHFSA-N 2 1 372.532 3.965 20 0 FHADMP Cn1nc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1-c1ccc(F)cc1 ZINC000472754337 941682755 /nfs/dbraw/zinc/68/27/55/941682755.db2.gz PPPOZKDGAGFYOW-NRFANRHFSA-N 2 1 372.532 3.965 20 0 FHADMP Cn1nc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1-c1ccc(F)cc1 ZINC000472754337 941682758 /nfs/dbraw/zinc/68/27/58/941682758.db2.gz PPPOZKDGAGFYOW-NRFANRHFSA-N 2 1 372.532 3.965 20 0 FHADMP Fc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Br ZINC001204734992 941762590 /nfs/dbraw/zinc/76/25/90/941762590.db2.gz IROSPWTUZCKVEV-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP Fc1cc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Br ZINC001204734992 941762586 /nfs/dbraw/zinc/76/25/86/941762586.db2.gz IROSPWTUZCKVEV-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513218972 941791975 /nfs/dbraw/zinc/79/19/75/941791975.db2.gz RRPCUXPQHQKVBW-INIZCTEOSA-N 2 1 363.512 3.893 20 0 FHADMP CCn1cnnc1C1CC[NH+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000377551531 941805066 /nfs/dbraw/zinc/80/50/66/941805066.db2.gz YHYIFOAAIYYVNX-MRXNPFEDSA-N 2 1 364.497 3.733 20 0 FHADMP CN1CCN([C@@H]2CCCC[N@@H+](CCCc3c(F)cccc3Cl)C2)CC1 ZINC000377619210 941848439 /nfs/dbraw/zinc/84/84/39/941848439.db2.gz CGSSXJKPFFNESI-QGZVFWFLSA-N 2 1 367.940 3.514 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCc3c(F)cccc3Cl)C2)CC1 ZINC000377619210 941848444 /nfs/dbraw/zinc/84/84/44/941848444.db2.gz CGSSXJKPFFNESI-QGZVFWFLSA-N 2 1 367.940 3.514 20 0 FHADMP C[C@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377628024 941854810 /nfs/dbraw/zinc/85/48/10/941854810.db2.gz QBBRQGXGVKENQW-SJORKVTESA-N 2 1 369.475 3.726 20 0 FHADMP Cn1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1C1CC1 ZINC000893019969 941895138 /nfs/dbraw/zinc/89/51/38/941895138.db2.gz YJZIIYCOJSQFKI-UHFFFAOYSA-N 2 1 364.493 3.812 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000513404440 941899199 /nfs/dbraw/zinc/89/91/99/941899199.db2.gz JDFNQCILYOEBGZ-UHFFFAOYSA-N 2 1 351.494 3.621 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000513404440 941899201 /nfs/dbraw/zinc/89/92/01/941899201.db2.gz JDFNQCILYOEBGZ-UHFFFAOYSA-N 2 1 351.494 3.621 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000377693946 941906987 /nfs/dbraw/zinc/90/69/87/941906987.db2.gz DMXIOGXRXVTBOV-NPFVIJTESA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693946 941906992 /nfs/dbraw/zinc/90/69/92/941906992.db2.gz DMXIOGXRXVTBOV-NPFVIJTESA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693946 941906994 /nfs/dbraw/zinc/90/69/94/941906994.db2.gz DMXIOGXRXVTBOV-NPFVIJTESA-N 2 1 366.509 3.717 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccc(C)cc4)c3)C2)CC1 ZINC000513451078 941937986 /nfs/dbraw/zinc/93/79/86/941937986.db2.gz NSMQDOCYXRMOJP-XMMPIXPASA-N 2 1 363.549 3.874 20 0 FHADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991131 941939061 /nfs/dbraw/zinc/93/90/61/941939061.db2.gz PZCLUCMDTAMLSS-KNQAVFIVSA-N 2 1 356.485 3.751 20 0 FHADMP Cc1[nH]nc2ncc(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513495238 941962672 /nfs/dbraw/zinc/96/26/72/941962672.db2.gz NEXKQICVYQHTKM-APWZRJJASA-N 2 1 363.509 3.657 20 0 FHADMP C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 ZINC000177291394 941987163 /nfs/dbraw/zinc/98/71/63/941987163.db2.gz VMGMYDIMEHASSM-UHFFFAOYSA-N 2 1 360.505 3.782 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549342059 942011976 /nfs/dbraw/zinc/01/19/76/942011976.db2.gz PCKUQNRTKPWJDT-RBUKOAKNSA-N 2 1 364.896 3.798 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1OC(F)F ZINC000513679020 942078746 /nfs/dbraw/zinc/07/87/46/942078746.db2.gz TXCFAGLHVWACCV-BZUAXINKSA-N 2 1 354.441 3.649 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000415928096 942163944 /nfs/dbraw/zinc/16/39/44/942163944.db2.gz DYFXZAKDIXDMAC-UHFFFAOYSA-N 2 1 368.481 3.575 20 0 FHADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](CCC(C)(C)C)C2 ZINC001279880116 942164194 /nfs/dbraw/zinc/16/41/94/942164194.db2.gz PWTCWOGDXNJFHV-SIKLNZKXSA-N 2 1 365.606 3.715 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415945880 942179051 /nfs/dbraw/zinc/17/90/51/942179051.db2.gz RYILWNWWTAFTRI-UTKZUKDTSA-N 2 1 366.509 3.581 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979378 942221249 /nfs/dbraw/zinc/22/12/49/942221249.db2.gz QRBFKPUVRDQUAS-QGZVFWFLSA-N 2 1 366.509 3.841 20 0 FHADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000415981091 942224945 /nfs/dbraw/zinc/22/49/45/942224945.db2.gz IHKOVJCZRMMVNI-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280748575 942239983 /nfs/dbraw/zinc/23/99/83/942239983.db2.gz NCBVXMKUSGWSQY-HNNXBMFYSA-N 2 1 361.795 3.577 20 0 FHADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420914874 942266658 /nfs/dbraw/zinc/26/66/58/942266658.db2.gz KRUKXLASBBFNCY-BHDDXSALSA-N 2 1 372.553 3.544 20 0 FHADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420914874 942266662 /nfs/dbraw/zinc/26/66/62/942266662.db2.gz KRUKXLASBBFNCY-BHDDXSALSA-N 2 1 372.553 3.544 20 0 FHADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050650 942275830 /nfs/dbraw/zinc/27/58/30/942275830.db2.gz DVKPBTBPZHNWQZ-UHFFFAOYSA-N 2 1 361.493 3.616 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3ccc(C)c(C)c3)CC2)CC1 ZINC000420972541 942286624 /nfs/dbraw/zinc/28/66/24/942286624.db2.gz BEWFPIPEKSNNMY-UHFFFAOYSA-N 2 1 373.585 3.564 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977081 942287917 /nfs/dbraw/zinc/28/79/17/942287917.db2.gz HQXGIUAIFITDPS-NRFANRHFSA-N 2 1 361.961 3.819 20 0 FHADMP CCC(CC)n1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000501052568 942289762 /nfs/dbraw/zinc/28/97/62/942289762.db2.gz OUDGGWSJZSQGSF-UHFFFAOYSA-N 2 1 355.530 3.988 20 0 FHADMP FC(F)(F)c1cccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647890013 942320404 /nfs/dbraw/zinc/32/04/04/942320404.db2.gz FNRWTNCGXXXJCO-GOSISDBHSA-N 2 1 356.432 3.859 20 0 FHADMP FC(F)(F)c1cccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647890013 942320407 /nfs/dbraw/zinc/32/04/07/942320407.db2.gz FNRWTNCGXXXJCO-GOSISDBHSA-N 2 1 356.432 3.859 20 0 FHADMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000378181470 942359014 /nfs/dbraw/zinc/35/90/14/942359014.db2.gz CNKWQXHLQNAAHM-INIZCTEOSA-N 3 1 365.512 3.812 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868308 942380023 /nfs/dbraw/zinc/38/00/23/942380023.db2.gz FUPKTHRYNFRIIU-SGTLLEGYSA-N 2 1 368.905 3.925 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868308 942380027 /nfs/dbraw/zinc/38/00/27/942380027.db2.gz FUPKTHRYNFRIIU-SGTLLEGYSA-N 2 1 368.905 3.925 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148227 942398657 /nfs/dbraw/zinc/39/86/57/942398657.db2.gz ZLRQJVYWESGIDG-JYRKZWEQSA-N 2 1 357.542 3.543 20 0 FHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[NH+]3CCc4ccccc4C3)c2C1 ZINC000416148116 942398696 /nfs/dbraw/zinc/39/86/96/942398696.db2.gz SPFHWWJYYOQOJP-UHFFFAOYSA-N 2 1 363.505 3.799 20 0 FHADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[NH+]3CCc4ccccc4C3)c2C1 ZINC000416148116 942398703 /nfs/dbraw/zinc/39/87/03/942398703.db2.gz SPFHWWJYYOQOJP-UHFFFAOYSA-N 2 1 363.505 3.799 20 0 FHADMP CCC[NH+]1Cc2cccc(NC(=O)CC[N@@H+]3CCc4ccccc4C3)c2C1 ZINC000416148116 942398712 /nfs/dbraw/zinc/39/87/12/942398712.db2.gz SPFHWWJYYOQOJP-UHFFFAOYSA-N 2 1 363.505 3.799 20 0 FHADMP CCC[NH+]1Cc2cccc(NC(=O)CC[N@H+]3CCc4ccccc4C3)c2C1 ZINC000416148116 942398723 /nfs/dbraw/zinc/39/87/23/942398723.db2.gz SPFHWWJYYOQOJP-UHFFFAOYSA-N 2 1 363.505 3.799 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000416158411 942407562 /nfs/dbraw/zinc/40/75/62/942407562.db2.gz KRDZYWHCEOHENB-JOCHJYFZSA-N 2 1 367.537 3.836 20 0 FHADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000502416169 942432244 /nfs/dbraw/zinc/43/22/44/942432244.db2.gz ORPGQNPPBJLBQQ-OALUTQOASA-N 2 1 362.558 3.901 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421338328 942510424 /nfs/dbraw/zinc/51/04/24/942510424.db2.gz FAWOLRBDTFSMLN-HSZRJFAPSA-N 2 1 350.506 3.811 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(C)oc4ccccc43)CC2)CC1 ZINC000421372187 942523925 /nfs/dbraw/zinc/52/39/25/942523925.db2.gz KQKYPMREGJKHSY-UHFFFAOYSA-N 2 1 355.526 3.733 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4cc(F)ccc4o3)CC2)CC1 ZINC000421382638 942536388 /nfs/dbraw/zinc/53/63/88/942536388.db2.gz YJHPKFIGXCUCNZ-UHFFFAOYSA-N 2 1 359.489 3.564 20 0 FHADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414839149 942548796 /nfs/dbraw/zinc/54/87/96/942548796.db2.gz LWPINKBLOZOPPT-LLVKDONJSA-N 2 1 354.317 3.518 20 0 FHADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909464 942601631 /nfs/dbraw/zinc/60/16/31/942601631.db2.gz NKSKROPJKSUSMR-VQTJNVASSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000513912866 942604006 /nfs/dbraw/zinc/60/40/06/942604006.db2.gz ITQVADCQVSTTAI-OAQYLSRUSA-N 2 1 371.569 3.524 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420298652 942608428 /nfs/dbraw/zinc/60/84/28/942608428.db2.gz FNJHXENGNWJXLS-CXAGYDPISA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420298652 942608433 /nfs/dbraw/zinc/60/84/33/942608433.db2.gz FNJHXENGNWJXLS-CXAGYDPISA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420298654 942608785 /nfs/dbraw/zinc/60/87/85/942608785.db2.gz FNJHXENGNWJXLS-GUYCJALGSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420298654 942608786 /nfs/dbraw/zinc/60/87/86/942608786.db2.gz FNJHXENGNWJXLS-GUYCJALGSA-N 2 1 370.324 3.786 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000420298662 942609046 /nfs/dbraw/zinc/60/90/46/942609046.db2.gz FNQNCKHGRPAQMR-CYBMUJFWSA-N 2 1 369.328 3.694 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299990 942610118 /nfs/dbraw/zinc/61/01/18/942610118.db2.gz GYCRIVAITYXTMZ-DYVFJYSZSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299990 942610120 /nfs/dbraw/zinc/61/01/20/942610120.db2.gz GYCRIVAITYXTMZ-DYVFJYSZSA-N 2 1 370.324 3.786 20 0 FHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311745 942615001 /nfs/dbraw/zinc/61/50/01/942615001.db2.gz RJWWBFKMRNGWBU-ZYSHUDEJSA-N 2 1 356.901 3.665 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420319508 942620115 /nfs/dbraw/zinc/62/01/15/942620115.db2.gz AIGLDFZKTPFPDQ-RTWAWAEBSA-N 2 1 363.505 3.760 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328213 942630544 /nfs/dbraw/zinc/63/05/44/942630544.db2.gz ZQGHMLSORAMYLT-DENIHFKCSA-N 2 1 353.510 3.641 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CC12CCOCC2 ZINC000420333787 942631075 /nfs/dbraw/zinc/63/10/75/942631075.db2.gz SXNRVDQBNBMTON-CYBMUJFWSA-N 2 1 350.915 3.742 20 0 FHADMP COc1cccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1OCc1ccccc1F ZINC000420363714 942640038 /nfs/dbraw/zinc/64/00/38/942640038.db2.gz CBRNLEXUUIMBEP-QGZVFWFLSA-N 2 1 372.484 3.845 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000420366218 942640441 /nfs/dbraw/zinc/64/04/41/942640441.db2.gz FUUPNHLOZIBWLM-CTNGQTDRSA-N 2 1 372.484 3.558 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367565 942641976 /nfs/dbraw/zinc/64/19/76/942641976.db2.gz HAGUYXJXSXAZNJ-AEFFLSMTSA-N 2 1 360.885 3.544 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367565 942641980 /nfs/dbraw/zinc/64/19/80/942641980.db2.gz HAGUYXJXSXAZNJ-AEFFLSMTSA-N 2 1 360.885 3.544 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367566 942642045 /nfs/dbraw/zinc/64/20/45/942642045.db2.gz HAGUYXJXSXAZNJ-FUHWJXTLSA-N 2 1 360.885 3.544 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367566 942642047 /nfs/dbraw/zinc/64/20/47/942642047.db2.gz HAGUYXJXSXAZNJ-FUHWJXTLSA-N 2 1 360.885 3.544 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901798 942645132 /nfs/dbraw/zinc/64/51/32/942645132.db2.gz VQPRDCXPSYBHKG-RBBKRZOGSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901798 942645140 /nfs/dbraw/zinc/64/51/40/942645140.db2.gz VQPRDCXPSYBHKG-RBBKRZOGSA-N 2 1 363.505 3.903 20 0 FHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000312147112 942645670 /nfs/dbraw/zinc/64/56/70/942645670.db2.gz SHMHLEYIWFPQLL-KRWDZBQOSA-N 2 1 373.541 3.804 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000312147112 942645674 /nfs/dbraw/zinc/64/56/74/942645674.db2.gz SHMHLEYIWFPQLL-KRWDZBQOSA-N 2 1 373.541 3.804 20 0 FHADMP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420377991 942646523 /nfs/dbraw/zinc/64/65/23/942646523.db2.gz TZDBQZAYTIRSGJ-VKJFTORMSA-N 2 1 367.331 3.601 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403440 942661636 /nfs/dbraw/zinc/66/16/36/942661636.db2.gz RMWSMUPKZWQHLH-NQIIRXRSSA-N 2 1 351.494 3.632 20 0 FHADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1C[NH+]1CCCCC1 ZINC000378512196 942845805 /nfs/dbraw/zinc/84/58/05/942845805.db2.gz JVFDUYQVRZHCPC-OXJNMPFZSA-N 2 1 368.525 3.612 20 0 FHADMP Cc1ccc2c(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248350 942848703 /nfs/dbraw/zinc/84/87/03/942848703.db2.gz ORKPNTZSHUCPOE-AEFFLSMTSA-N 2 1 353.510 3.991 20 0 FHADMP C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000378522412 942849727 /nfs/dbraw/zinc/84/97/27/942849727.db2.gz SLRLIJVBAMNHEQ-SJLPKXTDSA-N 2 1 374.573 3.586 20 0 FHADMP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434752447 942944142 /nfs/dbraw/zinc/94/41/42/942944142.db2.gz BGYZWMFBMVUYJH-KRWDZBQOSA-N 2 1 372.557 3.578 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856185 942997610 /nfs/dbraw/zinc/99/76/10/942997610.db2.gz YLLKJRZLPOXUIF-RDTXWAMCSA-N 2 1 351.922 3.863 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856995 943031246 /nfs/dbraw/zinc/03/12/46/943031246.db2.gz ZYWOTRSGDJTPCG-SUMWQHHRSA-N 2 1 371.447 3.920 20 0 FHADMP C[C@H](C[NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000414863518 943096882 /nfs/dbraw/zinc/09/68/82/943096882.db2.gz XGVVYHIUGXUXQJ-OAHLLOKOSA-N 2 1 351.416 3.973 20 0 FHADMP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000272239925 943119941 /nfs/dbraw/zinc/11/99/41/943119941.db2.gz VEPVCKVYDNGEGK-LEWJYISDSA-N 2 1 370.541 3.540 20 0 FHADMP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000272239932 943120003 /nfs/dbraw/zinc/12/00/03/943120003.db2.gz VEPVCKVYDNGEGK-SFTDATJTSA-N 2 1 370.541 3.540 20 0 FHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414662926 943148299 /nfs/dbraw/zinc/14/82/99/943148299.db2.gz QSWDGTGDOBQABD-LJQANCHMSA-N 2 1 355.530 3.865 20 0 FHADMP CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000422694742 943234619 /nfs/dbraw/zinc/23/46/19/943234619.db2.gz OLFPTJQACBUAFD-PBHICJAKSA-N 2 1 364.436 3.735 20 0 FHADMP Brc1ccc2[nH+]ccc(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000503542238 943238530 /nfs/dbraw/zinc/23/85/30/943238530.db2.gz SVFSOMDQYXGCDE-UHFFFAOYSA-N 2 1 360.299 3.706 20 0 FHADMP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422709236 943242349 /nfs/dbraw/zinc/24/23/49/943242349.db2.gz DEDHGQFVSZFGPM-VHRCFOOQSA-N 2 1 364.468 3.789 20 0 FHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718316 943256361 /nfs/dbraw/zinc/25/63/61/943256361.db2.gz WYFRUGLRVUJNEH-VQTJNVASSA-N 2 1 355.457 3.828 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000503560257 943261775 /nfs/dbraw/zinc/26/17/75/943261775.db2.gz SQJYAQUFLKSAQF-SQFISAMPSA-N 2 1 356.432 3.545 20 0 FHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422828529 943298297 /nfs/dbraw/zinc/29/82/97/943298297.db2.gz UBDODPSAXCNSGC-DLBZAZTESA-N 2 1 373.884 3.720 20 0 FHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696284 943300500 /nfs/dbraw/zinc/30/05/00/943300500.db2.gz HDVXNAQLYKIQBC-OALUTQOASA-N 2 1 365.521 3.544 20 0 FHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696280 943300560 /nfs/dbraw/zinc/30/05/60/943300560.db2.gz HDVXNAQLYKIQBC-MOPGFXCFSA-N 2 1 365.521 3.544 20 0 FHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818460 943303144 /nfs/dbraw/zinc/30/31/44/943303144.db2.gz GEMQWVYTIXYLOP-GMAHTHKFSA-N 3 1 369.553 3.629 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OCCC(C)C)c1 ZINC000422861354 943309574 /nfs/dbraw/zinc/30/95/74/943309574.db2.gz JEELZJQAIVOBSL-QHAWAJNXSA-N 2 1 360.542 3.667 20 0 FHADMP Clc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422843423 943312272 /nfs/dbraw/zinc/31/22/72/943312272.db2.gz IFPGVYIJFUAHTQ-MHTWAQMVSA-N 2 1 361.961 3.987 20 0 FHADMP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700998 943313727 /nfs/dbraw/zinc/31/37/27/943313727.db2.gz JWNQRYVFZSVYJX-MJGOQNOKSA-N 2 1 371.550 3.509 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887559 943318964 /nfs/dbraw/zinc/31/89/64/943318964.db2.gz BGGJFWMLBSNJGX-UXHICEINSA-N 2 1 355.457 3.828 20 0 FHADMP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1c[nH+]ccc1N ZINC000422904598 943326712 /nfs/dbraw/zinc/32/67/12/943326712.db2.gz HBCDWQBQGRNBSO-CJNGLKHVSA-N 2 1 362.880 3.602 20 0 FHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000422904870 943326760 /nfs/dbraw/zinc/32/67/60/943326760.db2.gz QXIFORUDWLUIRT-YJBOKZPZSA-N 2 1 366.933 3.517 20 0 FHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422927546 943334651 /nfs/dbraw/zinc/33/46/51/943334651.db2.gz GRBYSPWAERFEBG-QKLQHJQFSA-N 2 1 356.853 3.619 20 0 FHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000422966812 943343702 /nfs/dbraw/zinc/34/37/02/943343702.db2.gz ASWSCTRICSIHMW-XLIONFOSSA-N 2 1 369.509 3.610 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000422950068 943347088 /nfs/dbraw/zinc/34/70/88/943347088.db2.gz VCSPJQQGVILLQH-SNVBAGLBSA-N 2 1 352.251 3.601 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435375097 943356666 /nfs/dbraw/zinc/35/66/66/943356666.db2.gz ZOHBCXJHYXLTSU-VQIMIIECSA-N 2 1 367.493 3.507 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000422998161 943360225 /nfs/dbraw/zinc/36/02/25/943360225.db2.gz CKRBNUPCZSCPJC-YDXQKAQTSA-N 3 1 355.570 3.797 20 0 FHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371178 943364857 /nfs/dbraw/zinc/36/48/57/943364857.db2.gz LPKJLUXJVOFTKH-ZBFHGGJFSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1c[nH+]ccc1N ZINC000423022242 943367286 /nfs/dbraw/zinc/36/72/86/943367286.db2.gz HFCRBPGLJNIPIO-PJFSTRORSA-N 2 1 362.880 3.630 20 0 FHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@@H]12 ZINC000435379151 943368208 /nfs/dbraw/zinc/36/82/08/943368208.db2.gz LFCJNUUZOLSUQW-QKYXUNIQSA-N 2 1 369.896 3.761 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382149 943370869 /nfs/dbraw/zinc/37/08/69/943370869.db2.gz ZTNMNOZPNSJYKW-GHTZIAJQSA-N 2 1 360.505 3.768 20 0 FHADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414713290 943373904 /nfs/dbraw/zinc/37/39/04/943373904.db2.gz ONLHBQHBMSQJOG-IRXDYDNUSA-N 2 1 358.530 3.652 20 0 FHADMP CC(C)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713237 943374213 /nfs/dbraw/zinc/37/42/13/943374213.db2.gz UDRPPLHLYBJJSF-RXVVDRJESA-N 2 1 357.542 3.534 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387361 943374212 /nfs/dbraw/zinc/37/42/12/943374212.db2.gz ZWIVIXUBVPNAKJ-UYAOXDASSA-N 2 1 353.510 3.837 20 0 FHADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435387232 943374367 /nfs/dbraw/zinc/37/43/67/943374367.db2.gz YMDHVWAFUDFMKB-OAHLLOKOSA-N 2 1 360.420 3.600 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c1C ZINC000660160303 943381432 /nfs/dbraw/zinc/38/14/32/943381432.db2.gz RSCHMLSAQWKYGZ-REPLKXPHSA-N 2 1 357.542 3.649 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c1C ZINC000660160303 943381441 /nfs/dbraw/zinc/38/14/41/943381441.db2.gz RSCHMLSAQWKYGZ-REPLKXPHSA-N 2 1 357.542 3.649 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])OC(C)C ZINC000423052029 943384414 /nfs/dbraw/zinc/38/44/14/943384414.db2.gz OWNNAIJKKDEIRR-AGHHOFFYSA-N 2 1 356.510 3.709 20 0 FHADMP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423076640 943385719 /nfs/dbraw/zinc/38/57/19/943385719.db2.gz ZOBNTTDZJJRBKV-YLJYHZDGSA-N 2 1 358.869 3.694 20 0 FHADMP CC[N@@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435396257 943390090 /nfs/dbraw/zinc/39/00/90/943390090.db2.gz XGZGCAQFXOVCTD-FQEVSTJZSA-N 2 1 369.509 3.633 20 0 FHADMP CCn1ccnc1C[N@@H+](C[C@@H](C)Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433253 943396738 /nfs/dbraw/zinc/39/67/38/943396738.db2.gz MZONXZCELNCORC-FPOVZHCZSA-N 2 1 366.553 3.726 20 0 FHADMP CC(C)Cn1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435433919 943397405 /nfs/dbraw/zinc/39/74/05/943397405.db2.gz VHOVYYRAJMYZPB-LJQANCHMSA-N 2 1 358.555 3.745 20 0 FHADMP CC(C)Cn1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435433919 943397408 /nfs/dbraw/zinc/39/74/08/943397408.db2.gz VHOVYYRAJMYZPB-LJQANCHMSA-N 2 1 358.555 3.745 20 0 FHADMP C[C@H](CCc1ccccc1)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435420367 943400492 /nfs/dbraw/zinc/40/04/92/943400492.db2.gz BUNGCGSYCMFKOC-CTNGQTDRSA-N 2 1 366.553 3.633 20 0 FHADMP c1cc(C[N@@H+](Cc2ccc3c(c2)CCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000414720143 943408758 /nfs/dbraw/zinc/40/87/58/943408758.db2.gz BDNQMSUWBXMLMV-FQEVSTJZSA-N 2 1 354.519 3.827 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000563060983 943413766 /nfs/dbraw/zinc/41/37/66/943413766.db2.gz SHOJXVKWKIJZSZ-MSOLQXFVSA-N 2 1 365.521 3.868 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423176990 943428310 /nfs/dbraw/zinc/42/83/10/943428310.db2.gz DGYLASSPNKCACB-SECBINFHSA-N 2 1 351.210 3.871 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)cs1 ZINC000423190278 943436299 /nfs/dbraw/zinc/43/62/99/943436299.db2.gz QWGBZRWUSSYTON-LBPRGKRZSA-N 2 1 354.317 3.736 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423204223 943441571 /nfs/dbraw/zinc/44/15/71/943441571.db2.gz DENOSSKOVRRYFP-QWRGUYRKSA-N 2 1 350.356 3.540 20 0 FHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000503986612 943443133 /nfs/dbraw/zinc/44/31/33/943443133.db2.gz LWGIGDASHQAIQE-CTNGQTDRSA-N 2 1 374.573 3.582 20 0 FHADMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3cc(C)cc(C)c3)CC2)cs1 ZINC000364059962 943464810 /nfs/dbraw/zinc/46/48/10/943464810.db2.gz UCZRVXNEUIETCB-UHFFFAOYSA-N 2 1 371.554 3.917 20 0 FHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306740 943470567 /nfs/dbraw/zinc/47/05/67/943470567.db2.gz UPPRHSRKODUVJX-JTQLQIEISA-N 2 1 366.328 3.751 20 0 FHADMP OC[C@@H]([C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720184 943482648 /nfs/dbraw/zinc/48/26/48/943482648.db2.gz WYZRFDOPESLLQJ-BDTNDASRSA-N 2 1 354.538 3.570 20 0 FHADMP OC[C@@H]([C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720184 943482650 /nfs/dbraw/zinc/48/26/50/943482650.db2.gz WYZRFDOPESLLQJ-BDTNDASRSA-N 2 1 354.538 3.570 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423371606 943494475 /nfs/dbraw/zinc/49/44/75/943494475.db2.gz HQQSGIXEZLXQMJ-ATLSCFEFSA-N 2 1 350.478 3.565 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000423381369 943496601 /nfs/dbraw/zinc/49/66/01/943496601.db2.gz ZNTKWWJTLHCXLN-QVWLALMTSA-N 2 1 364.480 3.595 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000423444267 943513199 /nfs/dbraw/zinc/51/31/99/943513199.db2.gz WOIQMIRLDTWHGO-YWZLYKJASA-N 2 1 354.498 3.656 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000423426952 943515357 /nfs/dbraw/zinc/51/53/57/943515357.db2.gz PYPMJMVQMNXKKB-POZUXBRTSA-N 2 1 357.523 3.581 20 0 FHADMP CCOc1ccccc1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435624598 943525393 /nfs/dbraw/zinc/52/53/93/943525393.db2.gz FZTCECMDLZBKIH-FQEVSTJZSA-N 2 1 369.509 3.503 20 0 FHADMP CCOc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435624598 943525396 /nfs/dbraw/zinc/52/53/96/943525396.db2.gz FZTCECMDLZBKIH-FQEVSTJZSA-N 2 1 369.509 3.503 20 0 FHADMP c1[nH+]c2cc(NC3(C4CCOCC4)CC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001167743395 943527190 /nfs/dbraw/zinc/52/71/90/943527190.db2.gz AOMUNOKKCHKNOK-GOSISDBHSA-N 2 1 354.498 3.722 20 0 FHADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423498059 943528937 /nfs/dbraw/zinc/52/89/37/943528937.db2.gz ZUGOIAMOGLURFI-WMZOPIPTSA-N 2 1 350.915 3.653 20 0 FHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423505868 943531542 /nfs/dbraw/zinc/53/15/42/943531542.db2.gz GSTDHARWSGQPSI-MLGOLLRUSA-N 2 1 365.930 3.801 20 0 FHADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423507210 943532454 /nfs/dbraw/zinc/53/24/54/943532454.db2.gz HUDCBXVJYSIYHD-PGRDOPGGSA-N 2 1 354.494 3.603 20 0 FHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423532730 943539914 /nfs/dbraw/zinc/53/99/14/943539914.db2.gz RSUYMBTWJBOQFH-CPLUKWAASA-N 2 1 354.494 3.541 20 0 FHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423532731 943540169 /nfs/dbraw/zinc/54/01/69/943540169.db2.gz RSUYMBTWJBOQFH-GIYDNNGJSA-N 2 1 354.494 3.541 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518043 943543890 /nfs/dbraw/zinc/54/38/90/943543890.db2.gz ZCSNVHZIENLEFL-KBXCAEBGSA-N 2 1 358.482 3.625 20 0 FHADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCS2 ZINC000423521099 943544747 /nfs/dbraw/zinc/54/47/47/943544747.db2.gz SDFIBFWSSVKCDJ-LEOMRAHMSA-N 2 1 365.974 3.683 20 0 FHADMP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523999 943545578 /nfs/dbraw/zinc/54/55/78/943545578.db2.gz WRJJCXDABXCDHI-JRSKDTKFSA-N 2 1 368.352 3.787 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000423526361 943547327 /nfs/dbraw/zinc/54/73/27/943547327.db2.gz ZFQZNHLBKIUBIV-NNGSBXSVSA-N 2 1 361.917 3.953 20 0 FHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000423566530 943558939 /nfs/dbraw/zinc/55/89/39/943558939.db2.gz MBEMLWKBVBUSMV-IBGZPJMESA-N 2 1 374.532 3.879 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000423822068 943619982 /nfs/dbraw/zinc/61/99/82/943619982.db2.gz IITDWWYUWCCFSS-BKTGTZMESA-N 2 1 357.885 3.535 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000423822068 943619984 /nfs/dbraw/zinc/61/99/84/943619984.db2.gz IITDWWYUWCCFSS-BKTGTZMESA-N 2 1 357.885 3.535 20 0 FHADMP CC(C)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000584804995 943642091 /nfs/dbraw/zinc/64/20/91/943642091.db2.gz WHFIWJPXHSRXFH-FQEVSTJZSA-N 2 1 363.452 3.787 20 0 FHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000424140368 943748296 /nfs/dbraw/zinc/74/82/96/943748296.db2.gz FRMCFNCVUOFAQO-UHFFFAOYSA-N 2 1 360.448 3.520 20 0 FHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000516885577 943793938 /nfs/dbraw/zinc/79/39/38/943793938.db2.gz WWNZUAFBGZPKFB-FQEVSTJZSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(C(=O)Nc3ccccc3)c1)CC[NH2+]CC2 ZINC000424286673 943819457 /nfs/dbraw/zinc/81/94/57/943819457.db2.gz HRHJOPDUSSGORK-SFHVURJKSA-N 2 1 363.505 3.903 20 0 FHADMP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866933 943827374 /nfs/dbraw/zinc/82/73/74/943827374.db2.gz YGDHYMHUXWZUMU-NZQKXSOJSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866933 943827383 /nfs/dbraw/zinc/82/73/83/943827383.db2.gz YGDHYMHUXWZUMU-NZQKXSOJSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866933 943827387 /nfs/dbraw/zinc/82/73/87/943827387.db2.gz YGDHYMHUXWZUMU-NZQKXSOJSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866933 943827389 /nfs/dbraw/zinc/82/73/89/943827389.db2.gz YGDHYMHUXWZUMU-NZQKXSOJSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866933 943827395 /nfs/dbraw/zinc/82/73/95/943827395.db2.gz YGDHYMHUXWZUMU-NZQKXSOJSA-N 2 1 351.538 3.619 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000414906066 943842905 /nfs/dbraw/zinc/84/29/05/943842905.db2.gz LYJOEMXGHSQUPE-SFHVURJKSA-N 2 1 369.513 3.564 20 0 FHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]2C1 ZINC000424322327 943843889 /nfs/dbraw/zinc/84/38/89/943843889.db2.gz VHNCQIGEKMWTGQ-IZUAECHCSA-N 2 1 354.538 3.975 20 0 FHADMP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846589 /nfs/dbraw/zinc/84/65/89/943846589.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 2 1 365.512 3.953 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516970682 943871310 /nfs/dbraw/zinc/87/13/10/943871310.db2.gz YYYYEGPEEJCGKZ-YADHBBJMSA-N 2 1 366.553 3.678 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785236 943876548 /nfs/dbraw/zinc/87/65/48/943876548.db2.gz SFBLQKDDQWATTI-DLBZAZTESA-N 2 1 357.523 3.544 20 0 FHADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000516964578 943884992 /nfs/dbraw/zinc/88/49/92/943884992.db2.gz WGFAFTJBZDVYJJ-SJLPKXTDSA-N 2 1 352.494 3.812 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424377184 943887000 /nfs/dbraw/zinc/88/70/00/943887000.db2.gz LVZFZAVZXVNUES-OAHLLOKOSA-N 2 1 356.489 3.592 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1)CC1CC1 ZINC000417834496 943901177 /nfs/dbraw/zinc/90/11/77/943901177.db2.gz JXTVWHGEPZXCJD-UHFFFAOYSA-N 2 1 371.569 3.722 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000424438113 943914575 /nfs/dbraw/zinc/91/45/75/943914575.db2.gz OXAOHPGXOPBKJF-MRXNPFEDSA-N 2 1 372.538 3.549 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000424428170 943923101 /nfs/dbraw/zinc/92/31/01/943923101.db2.gz RUAQESOESZNLBG-OALUTQOASA-N 2 1 372.900 3.674 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000424428170 943923107 /nfs/dbraw/zinc/92/31/07/943923107.db2.gz RUAQESOESZNLBG-OALUTQOASA-N 2 1 372.900 3.674 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC(C)C)CC(C)(C)C)CC2)CC1 ZINC000515497610 943926601 /nfs/dbraw/zinc/92/66/01/943926601.db2.gz XAYXKZUDCARYSP-UHFFFAOYSA-N 2 1 365.606 3.713 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC12CCOCC2 ZINC000414789292 943931484 /nfs/dbraw/zinc/93/14/84/943931484.db2.gz NUIKCIDVYRWPRZ-INIZCTEOSA-N 2 1 360.498 3.742 20 0 FHADMP [NH3+]C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC1 ZINC000414796356 943967649 /nfs/dbraw/zinc/96/76/49/943967649.db2.gz HRTUCTJRLNRWQW-FQEVSTJZSA-N 2 1 350.441 3.505 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515520648 943974897 /nfs/dbraw/zinc/97/48/97/943974897.db2.gz HGCZTKCGRQJPLQ-ZSYWTGECSA-N 2 1 359.558 3.557 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000072726266 943977004 /nfs/dbraw/zinc/97/70/04/943977004.db2.gz LGUYMDMGCOLWID-UHFFFAOYSA-N 2 1 350.466 3.625 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@@H](C)O1 ZINC000437701653 944044840 /nfs/dbraw/zinc/04/48/40/944044840.db2.gz OZJXPOJUPLSKTR-HUUCEWRRSA-N 2 1 354.897 3.800 20 0 FHADMP COc1ccc2cc(C[NH2+]Cc3cc(C4CC[NH2+]CC4)no3)ccc2c1 ZINC000425895443 944097093 /nfs/dbraw/zinc/09/70/93/944097093.db2.gz IPIPPISZPSSXBU-UHFFFAOYSA-N 2 1 351.450 3.593 20 0 FHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000437771213 944100018 /nfs/dbraw/zinc/10/00/18/944100018.db2.gz IESXDCWFAAXQPO-VXNXHJTFSA-N 2 1 364.533 3.853 20 0 FHADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000437771207 944100114 /nfs/dbraw/zinc/10/01/14/944100114.db2.gz IESXDCWFAAXQPO-HJOGWXRNSA-N 2 1 364.533 3.853 20 0 FHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116945 944123418 /nfs/dbraw/zinc/12/34/18/944123418.db2.gz PIAURPGFSADTIQ-GOTSBHOMSA-N 2 1 357.586 3.979 20 0 FHADMP Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000418082332 944137558 /nfs/dbraw/zinc/13/75/58/944137558.db2.gz XBKKUAHSLPFVJI-JOCHJYFZSA-N 2 1 366.553 3.851 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000500126467 944141418 /nfs/dbraw/zinc/14/14/18/944141418.db2.gz AHGUGCGAKQHZIQ-LJQANCHMSA-N 2 1 374.573 3.592 20 0 FHADMP CCCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000515756145 944184687 /nfs/dbraw/zinc/18/46/87/944184687.db2.gz NLLORXRCGFGELA-RBUKOAKNSA-N 2 1 359.558 3.703 20 0 FHADMP [NH3+]C1(Cc2ccc(F)cc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975185 944278004 /nfs/dbraw/zinc/27/80/04/944278004.db2.gz KYBHTPOZKFBCFY-CBQGHPETSA-N 3 1 371.544 3.567 20 0 FHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475100 944287751 /nfs/dbraw/zinc/28/77/51/944287751.db2.gz SFNWXMYQYQWEOZ-PLACYPQZSA-N 2 1 363.590 3.752 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475279 944287985 /nfs/dbraw/zinc/28/79/85/944287985.db2.gz UXKWIJAOLPUEOG-RBUKOAKNSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475279 944287994 /nfs/dbraw/zinc/28/79/94/944287994.db2.gz UXKWIJAOLPUEOG-RBUKOAKNSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475279 944288007 /nfs/dbraw/zinc/28/80/07/944288007.db2.gz UXKWIJAOLPUEOG-RBUKOAKNSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475279 944288016 /nfs/dbraw/zinc/28/80/16/944288016.db2.gz UXKWIJAOLPUEOG-RBUKOAKNSA-N 2 1 374.525 3.771 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474443 944298517 /nfs/dbraw/zinc/29/85/17/944298517.db2.gz MUHLMUUQLYZLFV-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474443 944298521 /nfs/dbraw/zinc/29/85/21/944298521.db2.gz MUHLMUUQLYZLFV-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474443 944298527 /nfs/dbraw/zinc/29/85/27/944298527.db2.gz MUHLMUUQLYZLFV-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)c1 ZINC000506474443 944298534 /nfs/dbraw/zinc/29/85/34/944298534.db2.gz MUHLMUUQLYZLFV-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414979083 944319157 /nfs/dbraw/zinc/31/91/57/944319157.db2.gz UPRYCAKWHSSEAD-ZDUSSCGKSA-N 2 1 365.237 3.946 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000439089078 944328041 /nfs/dbraw/zinc/32/80/41/944328041.db2.gz VQCVWLSDJVBVTI-ULQDDVLXSA-N 2 1 361.530 3.672 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000439091101 944330073 /nfs/dbraw/zinc/33/00/73/944330073.db2.gz YOBUMRLODZCNPE-IAGOWNOFSA-N 2 1 361.530 3.959 20 0 FHADMP CC[N@@H+](CC[C@@H]1CCOC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000438118861 944339247 /nfs/dbraw/zinc/33/92/47/944339247.db2.gz YQEYXYKEHWWMOT-GOSISDBHSA-N 2 1 360.546 3.626 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000894316212 944370375 /nfs/dbraw/zinc/37/03/75/944370375.db2.gz JZSTUCYNQAUOCD-MGPUTAFESA-N 2 1 350.466 3.531 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000894316212 944370381 /nfs/dbraw/zinc/37/03/81/944370381.db2.gz JZSTUCYNQAUOCD-MGPUTAFESA-N 2 1 350.466 3.531 20 0 FHADMP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1OC ZINC000517537470 944383584 /nfs/dbraw/zinc/38/35/84/944383584.db2.gz SYJKDEGZNOXXRK-HUUCEWRRSA-N 2 1 354.922 3.815 20 0 FHADMP Cc1nnc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837571 944392741 /nfs/dbraw/zinc/39/27/41/944392741.db2.gz PGFUFAAQVXQTPD-OXQOHEQNSA-N 2 1 367.541 3.797 20 0 FHADMP Cc1nnc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837571 944392748 /nfs/dbraw/zinc/39/27/48/944392748.db2.gz PGFUFAAQVXQTPD-OXQOHEQNSA-N 2 1 367.541 3.797 20 0 FHADMP COC1CC[NH+](C2(C[NH2+]CCCCOc3ccccc3)CCCC2)CC1 ZINC000438184733 944402801 /nfs/dbraw/zinc/40/28/01/944402801.db2.gz BMCNROOWBWRTMX-UHFFFAOYSA-N 2 1 360.542 3.859 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C(F)F)c3)CC2)CC1 ZINC000517584973 944417973 /nfs/dbraw/zinc/41/79/73/944417973.db2.gz PNKYSJZZMYAHOJ-UHFFFAOYSA-N 2 1 365.468 3.759 20 0 FHADMP Brc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167962610 944477841 /nfs/dbraw/zinc/47/78/41/944477841.db2.gz YYUVSVGQKGGJCQ-YQQQUEKLSA-N 2 1 363.343 3.987 20 0 FHADMP C1=CC[C@@H](C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167982041 944493388 /nfs/dbraw/zinc/49/33/88/944493388.db2.gz UHIQDNKQFRKIJK-JJXTWPQTSA-N 2 1 357.586 3.802 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000518595396 944523692 /nfs/dbraw/zinc/52/36/92/944523692.db2.gz WOQQITDPHCCYNI-OALUTQOASA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350344 944527821 /nfs/dbraw/zinc/52/78/21/944527821.db2.gz HMBKTVNYMBGUQD-WMZOPIPTSA-N 2 1 358.555 3.704 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000652075065 944570993 /nfs/dbraw/zinc/57/09/93/944570993.db2.gz YPXUCPIQGILNFT-YWZLYKJASA-N 2 1 362.477 3.608 20 0 FHADMP c1cncc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167983269 944615962 /nfs/dbraw/zinc/61/59/62/944615962.db2.gz DPTBTAHPANWBIO-WCRBZPEASA-N 2 1 355.526 3.578 20 0 FHADMP c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[NH+]2CCCC2)cc1 ZINC001167964556 944624313 /nfs/dbraw/zinc/62/43/13/944624313.db2.gz SOIJCLXNAUVWRC-GLCCWIKHSA-N 2 1 353.554 3.819 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1 ZINC001167983728 944668124 /nfs/dbraw/zinc/66/81/24/944668124.db2.gz UAJVMBSIQZFIGI-INIZCTEOSA-N 2 1 364.493 3.607 20 0 FHADMP Cc1cccc(CC[N@@H+](C)[C@@H]2CCC[NH+](CCc3cccc(C)n3)CC2)n1 ZINC000516283932 944688222 /nfs/dbraw/zinc/68/82/22/944688222.db2.gz RODNRIXFONAAGL-HSZRJFAPSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1cccc(CC[N@H+](C)[C@@H]2CCC[NH+](CCc3cccc(C)n3)CC2)n1 ZINC000516283932 944688227 /nfs/dbraw/zinc/68/82/27/944688227.db2.gz RODNRIXFONAAGL-HSZRJFAPSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1cccc(CC[NH+](C)[C@@H]2CCC[N@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283932 944688232 /nfs/dbraw/zinc/68/82/32/944688232.db2.gz RODNRIXFONAAGL-HSZRJFAPSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1cccc(CC[NH+](C)[C@@H]2CCC[N@@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283932 944688234 /nfs/dbraw/zinc/68/82/34/944688234.db2.gz RODNRIXFONAAGL-HSZRJFAPSA-N 2 1 366.553 3.665 20 0 FHADMP COc1cccc2c1CC[C@H]([NH2+]CC1([NH+]3CCC(OC)CC3)CCCC1)C2 ZINC000426032178 944691811 /nfs/dbraw/zinc/69/18/11/944691811.db2.gz XCBWADDIYYGIGI-IBGZPJMESA-N 2 1 372.553 3.566 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000518754473 944697997 /nfs/dbraw/zinc/69/79/97/944697997.db2.gz NQTAWNDHHQGUNV-UHFFFAOYSA-N 2 1 351.579 3.517 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414933795 944726657 /nfs/dbraw/zinc/72/66/57/944726657.db2.gz UUFOZZDTZOUTMD-CZUORRHYSA-N 2 1 371.447 3.790 20 0 FHADMP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000517865818 944762786 /nfs/dbraw/zinc/76/27/86/944762786.db2.gz POBQSHYWWVPUDX-TZIWHRDSSA-N 2 1 359.558 3.698 20 0 FHADMP CCCc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000426786029 944802986 /nfs/dbraw/zinc/80/29/86/944802986.db2.gz SCSBJLUQTVLKAT-IRXDYDNUSA-N 2 1 365.587 3.807 20 0 FHADMP CC1([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[NH2+]CC1 ZINC000414938404 944868167 /nfs/dbraw/zinc/86/81/67/944868167.db2.gz ISHKUUZGPJJFQY-UHFFFAOYSA-N 2 1 357.885 3.824 20 0 FHADMP CC[N@@H+](CCc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093764724 944888778 /nfs/dbraw/zinc/88/87/78/944888778.db2.gz IKUFJSUNMGZIHR-UHFFFAOYSA-N 2 1 359.539 3.682 20 0 FHADMP CCC[C@@]1(C)CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000516489673 944937289 /nfs/dbraw/zinc/93/72/89/944937289.db2.gz DJYDJFKMWZVAKV-QFIPXVFZSA-N 2 1 363.590 3.612 20 0 FHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414949283 945006977 /nfs/dbraw/zinc/00/69/77/945006977.db2.gz ZPVQEHNHHJIKFA-AUUYWEPGSA-N 2 1 357.885 3.680 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414950370 945012438 /nfs/dbraw/zinc/01/24/38/945012438.db2.gz OODZBBIYXPOQDP-KSSFIOAISA-N 2 1 357.885 3.822 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[NH2+]1 ZINC000414951807 945019793 /nfs/dbraw/zinc/01/97/93/945019793.db2.gz QEGBXXGGOROCJF-GDBMZVCRSA-N 2 1 357.885 3.822 20 0 FHADMP Clc1sc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400783 945377749 /nfs/dbraw/zinc/37/77/49/945377749.db2.gz PSESQEWBBLXPJK-GHMZBOCLSA-N 2 1 363.752 3.986 20 0 FHADMP Clc1sc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400783 945377754 /nfs/dbraw/zinc/37/77/54/945377754.db2.gz PSESQEWBBLXPJK-GHMZBOCLSA-N 2 1 363.752 3.986 20 0 FHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029490 945419880 /nfs/dbraw/zinc/41/98/80/945419880.db2.gz RXDOFUWXNACNJD-KRWDZBQOSA-N 2 1 354.897 3.645 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3cncc(F)c3)C3CC3)CC2)oc1C ZINC000281086792 945522813 /nfs/dbraw/zinc/52/28/13/945522813.db2.gz ABXYCAFWSAXJIM-NRFANRHFSA-N 2 1 372.488 3.778 20 0 FHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000187777163 945593303 /nfs/dbraw/zinc/59/33/03/945593303.db2.gz GPPRDWPFBHJWST-GCJKJVERSA-N 2 1 360.542 3.592 20 0 FHADMP FC(F)(F)c1ncc(C[NH2+]CCCN2CCc3ccccc3C2)s1 ZINC000443976517 945597527 /nfs/dbraw/zinc/59/75/27/945597527.db2.gz ASVFXORRSUOKTE-UHFFFAOYSA-N 2 1 355.429 3.700 20 0 FHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519694022 945667255 /nfs/dbraw/zinc/66/72/55/945667255.db2.gz UWICRLHGRMVRAX-HDICACEKSA-N 2 1 359.558 3.835 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000415124391 945678790 /nfs/dbraw/zinc/67/87/90/945678790.db2.gz MPNOTVMZVWXKJC-IRXDYDNUSA-N 2 1 360.395 3.563 20 0 FHADMP CCCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001167970794 945780313 /nfs/dbraw/zinc/78/03/13/945780313.db2.gz NDDGSVLIZPWGBB-YQQQUEKLSA-N 2 1 365.562 3.629 20 0 FHADMP CCCNC(=O)[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168052943 946148106 /nfs/dbraw/zinc/14/81/06/946148106.db2.gz LRDMLXGSOGQEEW-NPDDRXJXSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052943 946148112 /nfs/dbraw/zinc/14/81/12/946148112.db2.gz LRDMLXGSOGQEEW-NPDDRXJXSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052943 946148119 /nfs/dbraw/zinc/14/81/19/946148119.db2.gz LRDMLXGSOGQEEW-NPDDRXJXSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052943 946148124 /nfs/dbraw/zinc/14/81/24/946148124.db2.gz LRDMLXGSOGQEEW-NPDDRXJXSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052943 946148130 /nfs/dbraw/zinc/14/81/30/946148130.db2.gz LRDMLXGSOGQEEW-NPDDRXJXSA-N 2 1 371.569 3.809 20 0 FHADMP c1ccc(OCCCCC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000188261894 946186911 /nfs/dbraw/zinc/18/69/11/946186911.db2.gz YZXIMQFUXWYTMR-UHFFFAOYSA-N 2 1 360.542 3.860 20 0 FHADMP C[C@@H](O)[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1F ZINC000651893008 946187825 /nfs/dbraw/zinc/18/78/25/946187825.db2.gz XHPWNVCIRCFZJF-VGSWGCGISA-N 2 1 372.484 3.512 20 0 FHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)[nH]1 ZINC000103143031 946249507 /nfs/dbraw/zinc/24/95/07/946249507.db2.gz FZJAPYJOTLHZSX-UHFFFAOYSA-N 2 1 353.510 3.658 20 0 FHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)[nH]1 ZINC000103143031 946249519 /nfs/dbraw/zinc/24/95/19/946249519.db2.gz FZJAPYJOTLHZSX-UHFFFAOYSA-N 2 1 353.510 3.658 20 0 FHADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708394 946289306 /nfs/dbraw/zinc/28/93/06/946289306.db2.gz CVWWTNVPLSCXHZ-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708394 946289314 /nfs/dbraw/zinc/28/93/14/946289314.db2.gz CVWWTNVPLSCXHZ-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708393 946289455 /nfs/dbraw/zinc/28/94/55/946289455.db2.gz CVWWTNVPLSCXHZ-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708393 946289462 /nfs/dbraw/zinc/28/94/62/946289462.db2.gz CVWWTNVPLSCXHZ-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746603 946306696 /nfs/dbraw/zinc/30/66/96/946306696.db2.gz SIJASJQBESPWPL-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746603 946306706 /nfs/dbraw/zinc/30/67/06/946306706.db2.gz SIJASJQBESPWPL-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746603 946306716 /nfs/dbraw/zinc/30/67/16/946306716.db2.gz SIJASJQBESPWPL-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP CC(C)Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000893486620 946406850 /nfs/dbraw/zinc/40/68/50/946406850.db2.gz GQWFEVGFVMSXTL-HSZRJFAPSA-N 2 1 367.537 3.527 20 0 FHADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067942 946428755 /nfs/dbraw/zinc/42/87/55/946428755.db2.gz VGLBHWPNHUVBSB-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067942 946428758 /nfs/dbraw/zinc/42/87/58/946428758.db2.gz VGLBHWPNHUVBSB-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067942 946428764 /nfs/dbraw/zinc/42/87/64/946428764.db2.gz VGLBHWPNHUVBSB-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP CC(C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+]1CCCCC1 ZINC000520355090 946442543 /nfs/dbraw/zinc/44/25/43/946442543.db2.gz DNRLPQHSHAYWQY-NRFANRHFSA-N 2 1 359.558 3.654 20 0 FHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000475137802 946458614 /nfs/dbraw/zinc/45/86/14/946458614.db2.gz TYKWXWHTQYSJIP-UHFFFAOYSA-N 2 1 360.395 3.827 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C3)cc1 ZINC000652247370 946528266 /nfs/dbraw/zinc/52/82/66/946528266.db2.gz JISIDLCUTRGOLT-GPJHCHHRSA-N 2 1 354.538 3.977 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC(=O)N3C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058239 946603803 /nfs/dbraw/zinc/60/38/03/946603803.db2.gz PRTJPGDDLFDPRP-CEQLMSFQSA-N 2 1 369.553 3.515 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191072 946623522 /nfs/dbraw/zinc/62/35/22/946623522.db2.gz CCTZJOVEOGVDNO-FXUDXRNXSA-N 2 1 356.963 3.984 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191072 946623534 /nfs/dbraw/zinc/62/35/34/946623534.db2.gz CCTZJOVEOGVDNO-FXUDXRNXSA-N 2 1 356.963 3.984 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168058737 946627251 /nfs/dbraw/zinc/62/72/51/946627251.db2.gz BZCKYTTTZNAVDG-MLYOOKFZSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168058737 946627255 /nfs/dbraw/zinc/62/72/55/946627255.db2.gz BZCKYTTTZNAVDG-MLYOOKFZSA-N 2 1 358.526 3.702 20 0 FHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000105457057 946661740 /nfs/dbraw/zinc/66/17/40/946661740.db2.gz AVUNKGPNXFWIEO-IBGZPJMESA-N 2 1 353.510 3.871 20 0 FHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000105457057 946661749 /nfs/dbraw/zinc/66/17/49/946661749.db2.gz AVUNKGPNXFWIEO-IBGZPJMESA-N 2 1 353.510 3.871 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C[C@H](C)O1 ZINC000544379667 946710662 /nfs/dbraw/zinc/71/06/62/946710662.db2.gz SNTKNIUSDSPDBU-KGVIQGDOSA-N 2 1 371.500 3.789 20 0 FHADMP COC1CCC(C)(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000475220329 946741307 /nfs/dbraw/zinc/74/13/07/946741307.db2.gz OOVAXNTZOODNMA-UHFFFAOYSA-N 2 1 351.560 3.595 20 0 FHADMP COC1CCC(C)(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000475220329 946741309 /nfs/dbraw/zinc/74/13/09/946741309.db2.gz OOVAXNTZOODNMA-UHFFFAOYSA-N 2 1 351.560 3.595 20 0 FHADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[NH+]3C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167992746 946766984 /nfs/dbraw/zinc/76/69/84/946766984.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001167992746 946767000 /nfs/dbraw/zinc/76/70/00/946767000.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001167992746 946767007 /nfs/dbraw/zinc/76/70/07/946767007.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP c1csc(C[NH+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167992746 946767016 /nfs/dbraw/zinc/76/70/16/946767016.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP c1csc(C[NH+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167992746 946767021 /nfs/dbraw/zinc/76/70/21/946767021.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001167992746 946767035 /nfs/dbraw/zinc/76/70/35/946767035.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001167992746 946767041 /nfs/dbraw/zinc/76/70/41/946767041.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 1 371.594 3.802 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168060277 946779775 /nfs/dbraw/zinc/77/97/75/946779775.db2.gz WGHITPSXNXLXIN-MXNKGDRCSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168060277 946779787 /nfs/dbraw/zinc/77/97/87/946779787.db2.gz WGHITPSXNXLXIN-MXNKGDRCSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168060277 946779791 /nfs/dbraw/zinc/77/97/91/946779791.db2.gz WGHITPSXNXLXIN-MXNKGDRCSA-N 2 1 365.521 3.976 20 0 FHADMP c1cn(-c2csc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cn1 ZINC000475285812 946825172 /nfs/dbraw/zinc/82/51/72/946825172.db2.gz HRXJJQUCPGRSAL-GOSISDBHSA-N 2 1 352.507 3.546 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288369 946826331 /nfs/dbraw/zinc/82/63/31/946826331.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288369 946826337 /nfs/dbraw/zinc/82/63/37/946826337.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288369 946826344 /nfs/dbraw/zinc/82/63/44/946826344.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288369 946826346 /nfs/dbraw/zinc/82/63/46/946826346.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288369 946826353 /nfs/dbraw/zinc/82/63/53/946826353.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000565158294 946831004 /nfs/dbraw/zinc/83/10/04/946831004.db2.gz VTSCBEVHOQBDTF-BXUZGUMPSA-N 2 1 366.328 3.884 20 0 FHADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000565158294 946830995 /nfs/dbraw/zinc/83/09/95/946830995.db2.gz VTSCBEVHOQBDTF-BXUZGUMPSA-N 2 1 366.328 3.884 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824616933 946864396 /nfs/dbraw/zinc/86/43/96/946864396.db2.gz BKZJBCUGDXEDEJ-MRXNPFEDSA-N 2 1 364.497 3.558 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCSc3ccc(Cl)cc3)C2)C1 ZINC000652345559 946871913 /nfs/dbraw/zinc/87/19/13/946871913.db2.gz FJAXOLHUVPIPIJ-LESCRADOSA-N 2 1 354.947 3.650 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626489 946872759 /nfs/dbraw/zinc/87/27/59/946872759.db2.gz PDGVMPCXSKNOAP-INIZCTEOSA-N 2 1 364.497 3.558 20 0 FHADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994734 946890036 /nfs/dbraw/zinc/89/00/36/946890036.db2.gz MNFBHUWSAGCCGY-XQXKNUKBSA-N 2 1 372.553 3.844 20 0 FHADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994734 946890047 /nfs/dbraw/zinc/89/00/47/946890047.db2.gz MNFBHUWSAGCCGY-XQXKNUKBSA-N 2 1 372.553 3.844 20 0 FHADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994734 946890057 /nfs/dbraw/zinc/89/00/57/946890057.db2.gz MNFBHUWSAGCCGY-XQXKNUKBSA-N 2 1 372.553 3.844 20 0 FHADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348337 946891277 /nfs/dbraw/zinc/89/12/77/946891277.db2.gz AKINCVYAMWZISW-VCOUNFBDSA-N 2 1 374.569 3.971 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348625 946894171 /nfs/dbraw/zinc/89/41/71/946894171.db2.gz KTBCNUCCBMRLTJ-UHOSZYNNSA-N 2 1 370.459 3.856 20 0 FHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc(OC)c1OC ZINC001167994339 946902621 /nfs/dbraw/zinc/90/26/21/946902621.db2.gz BUSJCRKDHCWIKA-DFNIBXOVSA-N 2 1 374.525 3.550 20 0 FHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc(OC)c1OC ZINC001167994339 946902629 /nfs/dbraw/zinc/90/26/29/946902629.db2.gz BUSJCRKDHCWIKA-DFNIBXOVSA-N 2 1 374.525 3.550 20 0 FHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(OC)c1OC ZINC001167994339 946902633 /nfs/dbraw/zinc/90/26/33/946902633.db2.gz BUSJCRKDHCWIKA-DFNIBXOVSA-N 2 1 374.525 3.550 20 0 FHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(OC)c1OC ZINC001167994339 946902641 /nfs/dbraw/zinc/90/26/41/946902641.db2.gz BUSJCRKDHCWIKA-DFNIBXOVSA-N 2 1 374.525 3.550 20 0 FHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000909603642 946927678 /nfs/dbraw/zinc/92/76/78/946927678.db2.gz PNHWKKVVYLEGBV-FQEVSTJZSA-N 2 1 351.494 3.517 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+](C)CC[C@@H]3CCCC[NH+]3C)n2)cc1F ZINC000475363591 946955424 /nfs/dbraw/zinc/95/54/24/946955424.db2.gz WNFDWPHCILRSIS-SFHVURJKSA-N 2 1 374.504 3.923 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)n2)cc1F ZINC000475363591 946955430 /nfs/dbraw/zinc/95/54/30/946955430.db2.gz WNFDWPHCILRSIS-SFHVURJKSA-N 2 1 374.504 3.923 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+](C)CC[C@@H]3CCCC[N@H+]3C)n2)cc1F ZINC000475363591 946955440 /nfs/dbraw/zinc/95/54/40/946955440.db2.gz WNFDWPHCILRSIS-SFHVURJKSA-N 2 1 374.504 3.923 20 0 FHADMP c1ccc(C[NH+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981145 /nfs/dbraw/zinc/98/11/45/946981145.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981155 /nfs/dbraw/zinc/98/11/55/946981155.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981168 /nfs/dbraw/zinc/98/11/68/946981168.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981179 /nfs/dbraw/zinc/98/11/79/946981179.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981185 /nfs/dbraw/zinc/98/11/85/946981185.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981193 /nfs/dbraw/zinc/98/11/93/946981193.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981201 /nfs/dbraw/zinc/98/12/01/946981201.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167906720 947006153 /nfs/dbraw/zinc/00/61/53/947006153.db2.gz HYXHBCIBKAAFLD-VQIMIIECSA-N 2 1 371.529 3.528 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCC[NH+]4CCCCC4)CC[C@@H]32)cc1 ZINC000444601908 947028536 /nfs/dbraw/zinc/02/85/36/947028536.db2.gz GENVYLGOAHLVSB-GOTSBHOMSA-N 2 1 355.570 3.849 20 0 FHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCO[C@@H]2CCCCO2)CC3)cc1 ZINC000444656987 947076402 /nfs/dbraw/zinc/07/64/02/947076402.db2.gz AWMCFDRZIYHTOL-OAQYLSRUSA-N 2 1 358.526 3.518 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444671932 947096303 /nfs/dbraw/zinc/09/63/03/947096303.db2.gz KJNPDCISTLFVAQ-PGRDOPGGSA-N 2 1 369.578 3.873 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000192924182 947105206 /nfs/dbraw/zinc/10/52/06/947105206.db2.gz IRYZBBYKLPKZOI-KRWDZBQOSA-N 2 1 374.912 3.969 20 0 FHADMP CC[N@H+](CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1)CC(C)C ZINC000444689542 947113747 /nfs/dbraw/zinc/11/37/47/947113747.db2.gz OASBXUQOEFOQCO-UHFFFAOYSA-N 2 1 369.557 3.847 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1)CC(C)C ZINC000444689542 947113753 /nfs/dbraw/zinc/11/37/53/947113753.db2.gz OASBXUQOEFOQCO-UHFFFAOYSA-N 2 1 369.557 3.847 20 0 FHADMP COC(=O)C[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065424 947127842 /nfs/dbraw/zinc/12/78/42/947127842.db2.gz VROWRKWIJLJBQG-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065424 947127859 /nfs/dbraw/zinc/12/78/59/947127859.db2.gz VROWRKWIJLJBQG-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065424 947127867 /nfs/dbraw/zinc/12/78/67/947127867.db2.gz VROWRKWIJLJBQG-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065422 947128307 /nfs/dbraw/zinc/12/83/07/947128307.db2.gz VROWRKWIJLJBQG-BJLQDIEVSA-N 2 1 358.526 3.703 20 0 FHADMP CCCC[C@H](CC)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825261014 947135897 /nfs/dbraw/zinc/13/58/97/947135897.db2.gz SEINNOMFZQAWBT-KRWDZBQOSA-N 2 1 370.545 3.637 20 0 FHADMP CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766023 947201913 /nfs/dbraw/zinc/20/19/13/947201913.db2.gz GGGCAUBDNDMZHU-PZJWPPBQSA-N 2 1 371.569 3.524 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301212946 947235495 /nfs/dbraw/zinc/23/54/95/947235495.db2.gz WDPUVLDPRHJCOF-MRXNPFEDSA-N 2 1 373.570 3.658 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CCC[N@H+](C)C3)c2c1C ZINC000301212946 947235509 /nfs/dbraw/zinc/23/55/09/947235509.db2.gz WDPUVLDPRHJCOF-MRXNPFEDSA-N 2 1 373.570 3.658 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247257788 947264707 /nfs/dbraw/zinc/26/47/07/947264707.db2.gz XMMIEZPNYSJYFL-LIRRHRJNSA-N 2 1 372.463 3.804 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188221505 947458171 /nfs/dbraw/zinc/45/81/71/947458171.db2.gz UXNRMFPYRYPCET-AWEZNQCLSA-N 2 1 350.304 3.955 20 0 FHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000523851054 947652307 /nfs/dbraw/zinc/65/23/07/947652307.db2.gz IYLODJHQPHZYJF-BBRMVZONSA-N 2 1 373.463 3.988 20 0 FHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254948 947675748 /nfs/dbraw/zinc/67/57/48/947675748.db2.gz CCOHTEBJHRKUMM-PXNSSMCTSA-N 2 1 366.505 3.876 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292947 947715386 /nfs/dbraw/zinc/71/53/86/947715386.db2.gz CJLUKHIISUMSDF-HIFRSBDPSA-N 2 1 367.896 3.518 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292947 947715399 /nfs/dbraw/zinc/71/53/99/947715399.db2.gz CJLUKHIISUMSDF-HIFRSBDPSA-N 2 1 367.896 3.518 20 0 FHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297274 947724147 /nfs/dbraw/zinc/72/41/47/947724147.db2.gz OXZVURNODCHIOC-UWJYYQICSA-N 2 1 371.569 3.850 20 0 FHADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1CCC[NH3+] ZINC000662312959 947738847 /nfs/dbraw/zinc/73/88/47/947738847.db2.gz CEVODWMWNUWSKN-IUODEOHRSA-N 2 1 358.313 3.771 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1CCC[NH3+] ZINC000662312959 947738851 /nfs/dbraw/zinc/73/88/51/947738851.db2.gz CEVODWMWNUWSKN-IUODEOHRSA-N 2 1 358.313 3.771 20 0 FHADMP CO[C@@H](C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CCCCC1 ZINC000662327131 947750551 /nfs/dbraw/zinc/75/05/51/947750551.db2.gz KCEFRHGDXJWRHB-QFIPXVFZSA-N 2 1 374.573 3.651 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)C1 ZINC000662386503 947777537 /nfs/dbraw/zinc/77/75/37/947777537.db2.gz BEIVUUSKXVSFOX-OAHLLOKOSA-N 2 1 369.534 3.878 20 0 FHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663346633 947816272 /nfs/dbraw/zinc/81/62/72/947816272.db2.gz BKXCWWSAGBFCBO-INIZCTEOSA-N 2 1 367.331 3.669 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675354 947975058 /nfs/dbraw/zinc/97/50/58/947975058.db2.gz LXTQXOMZSMUNGI-KDOFPFPSSA-N 2 1 369.431 3.542 20 0 FHADMP C[NH2+][C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000662683685 947978424 /nfs/dbraw/zinc/97/84/24/947978424.db2.gz QZSLOXGMUVCQPU-QGZVFWFLSA-N 2 1 366.292 3.954 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000549612265 948013180 /nfs/dbraw/zinc/01/31/80/948013180.db2.gz ULDPOHQBJCOVGA-IOMROCGXSA-N 2 1 358.526 3.878 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466149 948050936 /nfs/dbraw/zinc/05/09/36/948050936.db2.gz OOHFSTBRQCGBAV-UGKGYDQZSA-N 2 1 364.537 3.961 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466149 948050942 /nfs/dbraw/zinc/05/09/42/948050942.db2.gz OOHFSTBRQCGBAV-UGKGYDQZSA-N 2 1 364.537 3.961 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466180 948051323 /nfs/dbraw/zinc/05/13/23/948051323.db2.gz OYZCCJSAMXNLKC-UKRRQHHQSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466180 948051330 /nfs/dbraw/zinc/05/13/30/948051330.db2.gz OYZCCJSAMXNLKC-UKRRQHHQSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471775 948068822 /nfs/dbraw/zinc/06/88/22/948068822.db2.gz XXZJKDNCHZKKAI-RDJZCZTQSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471775 948068831 /nfs/dbraw/zinc/06/88/31/948068831.db2.gz XXZJKDNCHZKKAI-RDJZCZTQSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471775 948068839 /nfs/dbraw/zinc/06/88/39/948068839.db2.gz XXZJKDNCHZKKAI-RDJZCZTQSA-N 2 1 373.932 3.693 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778212 948076512 /nfs/dbraw/zinc/07/65/12/948076512.db2.gz SACAILLXKLIKKA-JSGCOSHPSA-N 2 1 352.347 3.871 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821149 948078916 /nfs/dbraw/zinc/07/89/16/948078916.db2.gz BVLDFHMROGMSIT-YLJYHZDGSA-N 2 1 363.571 3.687 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821587 948080096 /nfs/dbraw/zinc/08/00/96/948080096.db2.gz DWCPVVOIBQMVEK-GMAHTHKFSA-N 2 1 373.585 3.868 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2cccc(Br)c21 ZINC000925780782 948096592 /nfs/dbraw/zinc/09/65/92/948096592.db2.gz GPRLMSLVZVUILU-UHIISALHSA-N 2 1 359.258 3.832 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001167825377 948120090 /nfs/dbraw/zinc/12/00/90/948120090.db2.gz JYAPBBAKEGAXAM-QGZVFWFLSA-N 2 1 372.513 3.517 20 0 FHADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000520510139 948192734 /nfs/dbraw/zinc/19/27/34/948192734.db2.gz DXPSMGHLYROPLC-OAQYLSRUSA-N 2 1 359.558 3.654 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001167833401 948223643 /nfs/dbraw/zinc/22/36/43/948223643.db2.gz AWRQXPLEOAFPAT-CADBVGFASA-N 2 1 367.578 3.732 20 0 FHADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534085 948231837 /nfs/dbraw/zinc/23/18/37/948231837.db2.gz LFNCKHHDGFREMJ-HXUWFJFHSA-N 2 1 360.542 3.908 20 0 FHADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534085 948231838 /nfs/dbraw/zinc/23/18/38/948231838.db2.gz LFNCKHHDGFREMJ-HXUWFJFHSA-N 2 1 360.542 3.908 20 0 FHADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432368426 948240354 /nfs/dbraw/zinc/24/03/54/948240354.db2.gz PUKHPMSQMPXNOA-HOTGVXAUSA-N 2 1 369.347 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001167834064 948246253 /nfs/dbraw/zinc/24/62/53/948246253.db2.gz HDTWOCAVKCGSMU-OKZBNKHCSA-N 2 1 355.567 3.875 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000512045279 948299307 /nfs/dbraw/zinc/29/93/07/948299307.db2.gz LPIFIMFAMIZHAQ-QLCZSFMESA-N 2 1 352.469 3.705 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167835594 948300726 /nfs/dbraw/zinc/30/07/26/948300726.db2.gz RRXAUHRPJMJPJN-PKOBYXMFSA-N 2 1 367.578 3.971 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405038 948348402 /nfs/dbraw/zinc/34/84/02/948348402.db2.gz GNGNXRCYINJQOV-LSDHHAIUSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432408584 948357236 /nfs/dbraw/zinc/35/72/36/948357236.db2.gz CGFLTTZMBDMYEK-HZPDHXFCSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432408584 948357245 /nfs/dbraw/zinc/35/72/45/948357245.db2.gz CGFLTTZMBDMYEK-HZPDHXFCSA-N 2 1 358.448 3.727 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841862 948367265 /nfs/dbraw/zinc/36/72/65/948367265.db2.gz SPXAFVIJXIFTLL-MDNUFGMLSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841862 948367273 /nfs/dbraw/zinc/36/72/73/948367273.db2.gz SPXAFVIJXIFTLL-MDNUFGMLSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841862 948367280 /nfs/dbraw/zinc/36/72/80/948367280.db2.gz SPXAFVIJXIFTLL-MDNUFGMLSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841862 948367286 /nfs/dbraw/zinc/36/72/86/948367286.db2.gz SPXAFVIJXIFTLL-MDNUFGMLSA-N 2 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841862 948367294 /nfs/dbraw/zinc/36/72/94/948367294.db2.gz SPXAFVIJXIFTLL-MDNUFGMLSA-N 2 1 357.586 3.951 20 0 FHADMP COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000278986569 948369300 /nfs/dbraw/zinc/36/93/00/948369300.db2.gz ZXRXKBMWDXTTPG-AWEZNQCLSA-N 2 1 357.454 3.540 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000432422071 948383860 /nfs/dbraw/zinc/38/38/60/948383860.db2.gz CJDHBONKQNLZND-NRFANRHFSA-N 2 1 366.549 3.931 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000432422071 948383866 /nfs/dbraw/zinc/38/38/66/948383866.db2.gz CJDHBONKQNLZND-NRFANRHFSA-N 2 1 366.549 3.931 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432422618 948384357 /nfs/dbraw/zinc/38/43/57/948384357.db2.gz GHUDRAIZUFZQTE-APWZRJJASA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432422618 948384362 /nfs/dbraw/zinc/38/43/62/948384362.db2.gz GHUDRAIZUFZQTE-APWZRJJASA-N 2 1 366.933 3.953 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428178 948395903 /nfs/dbraw/zinc/39/59/03/948395903.db2.gz IXKCIFCLEFQIDH-LSDHHAIUSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428178 948395911 /nfs/dbraw/zinc/39/59/11/948395911.db2.gz IXKCIFCLEFQIDH-LSDHHAIUSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428177 948396076 /nfs/dbraw/zinc/39/60/76/948396076.db2.gz IXKCIFCLEFQIDH-HUUCEWRRSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428177 948396080 /nfs/dbraw/zinc/39/60/80/948396080.db2.gz IXKCIFCLEFQIDH-HUUCEWRRSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CCO1 ZINC000512132981 948507559 /nfs/dbraw/zinc/50/75/59/948507559.db2.gz WQHOUFNZDDESKS-KRWDZBQOSA-N 2 1 350.462 3.943 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CCO1 ZINC000512132981 948507566 /nfs/dbraw/zinc/50/75/66/948507566.db2.gz WQHOUFNZDDESKS-KRWDZBQOSA-N 2 1 350.462 3.943 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000639108786 948570629 /nfs/dbraw/zinc/57/06/29/948570629.db2.gz KVPDCWWBNATQLW-OFNKIYASSA-N 3 1 353.554 3.819 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000639108786 948570632 /nfs/dbraw/zinc/57/06/32/948570632.db2.gz KVPDCWWBNATQLW-OFNKIYASSA-N 3 1 353.554 3.819 20 0 FHADMP COc1ccc2oc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000512176061 948656849 /nfs/dbraw/zinc/65/68/49/948656849.db2.gz AYTJPCUBYKVPIB-CALCHBBNSA-N 2 1 372.509 3.763 20 0 FHADMP COCCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512178290 948670921 /nfs/dbraw/zinc/67/09/21/948670921.db2.gz ISLHACKWXXSVGD-OAQYLSRUSA-N 2 1 360.542 3.656 20 0 FHADMP COCCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512178290 948670922 /nfs/dbraw/zinc/67/09/22/948670922.db2.gz ISLHACKWXXSVGD-OAQYLSRUSA-N 2 1 360.542 3.656 20 0 FHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000074067348 948708551 /nfs/dbraw/zinc/70/85/51/948708551.db2.gz PZFSSFHVPJKOEM-HXUWFJFHSA-N 2 1 352.482 3.772 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000525787673 948732698 /nfs/dbraw/zinc/73/26/98/948732698.db2.gz PEZKHSXGZBPFQB-UHFFFAOYSA-N 2 1 351.922 3.721 20 0 FHADMP Cc1ccc(F)c(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000523977040 948736055 /nfs/dbraw/zinc/73/60/55/948736055.db2.gz RRUAUMHGEXELGV-QFIPXVFZSA-N 2 1 355.501 3.603 20 0 FHADMP COc1ccccc1/C=C/C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187386 948738286 /nfs/dbraw/zinc/73/82/86/948738286.db2.gz QEGILXJCQOMDEQ-ATMNSAGYSA-N 2 1 358.526 3.530 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187077381 948783703 /nfs/dbraw/zinc/78/37/03/948783703.db2.gz CRYVYRJQDLIVRG-CBJLPSGESA-N 2 1 369.597 3.987 20 0 FHADMP Cc1ccc2cc(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)ccc2n1 ZINC000187078766 948785510 /nfs/dbraw/zinc/78/55/10/948785510.db2.gz DRCITGRNKWHNTR-PMACEKPBSA-N 2 1 366.553 3.534 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000067452852 948791793 /nfs/dbraw/zinc/79/17/93/948791793.db2.gz BRGGIQFONYKAGP-OKILXGFUSA-N 2 1 373.310 3.567 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000604418318 568276187 /nfs/dbraw/zinc/27/61/87/568276187.db2.gz QWASNURTQPSYSJ-YJBOKZPZSA-N 2 1 374.447 3.812 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000563149486 568295190 /nfs/dbraw/zinc/29/51/90/568295190.db2.gz FOAXSOJIHMFOJX-CQSZACIVSA-N 2 1 368.506 3.625 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000563149486 568295192 /nfs/dbraw/zinc/29/51/92/568295192.db2.gz FOAXSOJIHMFOJX-CQSZACIVSA-N 2 1 368.506 3.625 20 0 FHADMP Fc1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCC2)cc1 ZINC000643251254 568320147 /nfs/dbraw/zinc/32/01/47/568320147.db2.gz VTKMECIOTYGLFC-UHFFFAOYSA-N 2 1 354.469 3.827 20 0 FHADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604774369 568364113 /nfs/dbraw/zinc/36/41/13/568364113.db2.gz TUZQEYWRHFCFHU-ICSRJNTNSA-N 2 1 361.574 3.768 20 0 FHADMP C[N@@H+](CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000049973923 568638647 /nfs/dbraw/zinc/63/86/47/568638647.db2.gz ISCGBALOUOFBDX-UHFFFAOYSA-N 2 1 365.521 3.534 20 0 FHADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCC[NH+]3CCCC3)C4)n2)cc1 ZINC000328605413 571323831 /nfs/dbraw/zinc/32/38/31/571323831.db2.gz NINORWSUXFORKD-DENIHFKCSA-N 2 1 366.509 3.576 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736197998 599337794 /nfs/dbraw/zinc/33/77/94/599337794.db2.gz OXYWQUHDLDCVPE-QZTJIDSGSA-N 2 1 368.529 3.516 20 0 FHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC001164417970 718893303 /nfs/dbraw/zinc/89/33/03/718893303.db2.gz MACMJXJFRSENDU-LEWJYISDSA-N 2 1 356.558 3.987 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3cc(Cl)ccc3n2)c2c1CC[NH2+]C2 ZINC001164683077 719607441 /nfs/dbraw/zinc/60/74/41/719607441.db2.gz HGRRTVMBPCXMPZ-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3cc(Cl)ccc3n2)c2c1CC[NH2+]C2 ZINC001164683077 719607450 /nfs/dbraw/zinc/60/74/50/719607450.db2.gz HGRRTVMBPCXMPZ-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc4[nH]ccc4c[nH+]2)CC3)cs1 ZINC001164692284 719804785 /nfs/dbraw/zinc/80/47/85/719804785.db2.gz MJJPKGIEWWDCKG-UHFFFAOYSA-N 2 1 367.522 3.963 20 0 FHADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1C ZINC001164909885 721728670 /nfs/dbraw/zinc/72/86/70/721728670.db2.gz FKFWBLGZGDISGJ-HXUWFJFHSA-N 2 1 372.463 3.831 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165019709 721811649 /nfs/dbraw/zinc/81/16/49/721811649.db2.gz BLLRFOALVBYBLQ-SESVDKBCSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165019709 721811650 /nfs/dbraw/zinc/81/16/50/721811650.db2.gz BLLRFOALVBYBLQ-SESVDKBCSA-N 2 1 350.510 3.830 20 0 FHADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc4c([nH+]2)CCCC4)CC3)c1 ZINC001164951633 722016256 /nfs/dbraw/zinc/01/62/56/722016256.db2.gz BMYDSOUWQXFBPV-UHFFFAOYSA-N 2 1 362.521 3.848 20 0 FHADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc4c([nH+]2)CCCC4)CC3)c1 ZINC001164951633 722016259 /nfs/dbraw/zinc/01/62/59/722016259.db2.gz BMYDSOUWQXFBPV-UHFFFAOYSA-N 2 1 362.521 3.848 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C[C@H]1c1ccccc1 ZINC000583015275 936368903 /nfs/dbraw/zinc/36/89/03/936368903.db2.gz VGAYWQYBMCRFDB-ZCNNSNEGSA-N 2 1 360.567 3.856 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C[C@H]1c1ccccc1 ZINC000583015275 936368907 /nfs/dbraw/zinc/36/89/07/936368907.db2.gz VGAYWQYBMCRFDB-ZCNNSNEGSA-N 2 1 360.567 3.856 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)nc(C)[nH+]1 ZINC000162283693 936372518 /nfs/dbraw/zinc/37/25/18/936372518.db2.gz HPGCORLUXOXILL-LJQANCHMSA-N 2 1 352.482 3.566 20 0 FHADMP C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000583023201 936377768 /nfs/dbraw/zinc/37/77/68/936377768.db2.gz CYKKRAKRKYMNFW-SVFBPWRDSA-N 2 1 371.912 3.682 20 0 FHADMP C[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000583023201 936377772 /nfs/dbraw/zinc/37/77/72/936377772.db2.gz CYKKRAKRKYMNFW-SVFBPWRDSA-N 2 1 371.912 3.682 20 0 FHADMP Clc1ccc(Cc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000579718952 927175397 /nfs/dbraw/zinc/17/53/97/927175397.db2.gz NOKOJAAXOBOESY-IYBDPMFKSA-N 2 1 361.942 3.819 20 0 FHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147198 927317089 /nfs/dbraw/zinc/31/70/89/927317089.db2.gz KMWDUYGHVMDDQG-SFHVURJKSA-N 2 1 364.415 3.623 20 0 FHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147198 927317097 /nfs/dbraw/zinc/31/70/97/927317097.db2.gz KMWDUYGHVMDDQG-SFHVURJKSA-N 2 1 364.415 3.623 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147198 927317107 /nfs/dbraw/zinc/31/71/07/927317107.db2.gz KMWDUYGHVMDDQG-SFHVURJKSA-N 2 1 364.415 3.623 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147198 927317118 /nfs/dbraw/zinc/31/71/18/927317118.db2.gz KMWDUYGHVMDDQG-SFHVURJKSA-N 2 1 364.415 3.623 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546183 927423642 /nfs/dbraw/zinc/42/36/42/927423642.db2.gz KBQSWVNGLLYROV-GOEBONIOSA-N 2 1 365.315 3.927 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C5(CCC5)C4)[C@@H]3C2)cc1 ZINC000643547352 927460321 /nfs/dbraw/zinc/46/03/21/927460321.db2.gz DIDOTDPGGIPIGE-CBPXPLCBSA-N 2 1 353.554 3.551 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C5(CCC5)C4)[C@@H]3C2)cc1 ZINC000643547352 927460328 /nfs/dbraw/zinc/46/03/28/927460328.db2.gz DIDOTDPGGIPIGE-CBPXPLCBSA-N 3 1 353.554 3.551 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C5(CCC5)C4)[C@@H]3C2)cc1 ZINC000643547352 927460331 /nfs/dbraw/zinc/46/03/31/927460331.db2.gz DIDOTDPGGIPIGE-CBPXPLCBSA-N 3 1 353.554 3.551 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000535943974 937174780 /nfs/dbraw/zinc/17/47/80/937174780.db2.gz ULWPNSREHRUNIK-QUCCMNQESA-N 2 1 368.569 3.935 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000535943976 937174578 /nfs/dbraw/zinc/17/45/78/937174578.db2.gz ULWPNSREHRUNIK-UYAOXDASSA-N 2 1 368.569 3.935 20 0 FHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001203409457 937196169 /nfs/dbraw/zinc/19/61/69/937196169.db2.gz YSXRBKMBEXVBFS-LJQANCHMSA-N 2 1 365.562 3.773 20 0 FHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001203409457 937196171 /nfs/dbraw/zinc/19/61/71/937196171.db2.gz YSXRBKMBEXVBFS-LJQANCHMSA-N 2 1 365.562 3.773 20 0 FHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118779356 927938987 /nfs/dbraw/zinc/93/89/87/927938987.db2.gz NSPQRDOMNXOOKN-IXDOHACOSA-N 2 1 371.525 3.591 20 0 FHADMP COc1c(Br)cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000274786635 928300748 /nfs/dbraw/zinc/30/07/48/928300748.db2.gz LNRHRWMBZIQOOZ-GOOCMWNKSA-N 2 1 353.304 3.563 20 0 FHADMP CCN1CC[C@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000583207464 937238255 /nfs/dbraw/zinc/23/82/55/937238255.db2.gz QZXDDAMEYCQERC-HKUYNNGSSA-N 2 1 357.464 3.561 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001167078291 928424814 /nfs/dbraw/zinc/42/48/14/928424814.db2.gz PZPIWQHIMRGAHU-UHFFFAOYSA-N 2 1 355.567 3.687 20 0 FHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471168572 928439539 /nfs/dbraw/zinc/43/95/39/928439539.db2.gz IOHXQKXQBFIKNN-SFHVURJKSA-N 2 1 371.500 3.649 20 0 FHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150856496 937288892 /nfs/dbraw/zinc/28/88/92/937288892.db2.gz PQDBITBNCGTANH-SFHVURJKSA-N 2 1 363.509 3.960 20 0 FHADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159476 929387692 /nfs/dbraw/zinc/38/76/92/929387692.db2.gz UICJOEWHNSBFLQ-RTWAWAEBSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159476 929387713 /nfs/dbraw/zinc/38/77/13/929387713.db2.gz UICJOEWHNSBFLQ-RTWAWAEBSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159476 929387723 /nfs/dbraw/zinc/38/77/23/929387723.db2.gz UICJOEWHNSBFLQ-RTWAWAEBSA-N 2 1 358.526 3.562 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752242 937350480 /nfs/dbraw/zinc/35/04/80/937350480.db2.gz OCDMLDMINZTRRE-NZHZHZHDSA-N 2 1 368.443 3.952 20 0 FHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000579976181 929739347 /nfs/dbraw/zinc/73/93/47/929739347.db2.gz MTKCGHCRNPSVQR-ZIBCJSCZSA-N 2 1 369.578 3.818 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC3 ZINC000123214482 929916848 /nfs/dbraw/zinc/91/68/48/929916848.db2.gz RDNSGEZKXRVZTF-IAGOWNOFSA-N 2 1 355.526 3.744 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3cnccc3c2)[C@@H](c2ccccc2)C1 ZINC000683765532 930086524 /nfs/dbraw/zinc/08/65/24/930086524.db2.gz UALWKFOHHVOIGS-XMMPIXPASA-N 2 1 374.532 3.703 20 0 FHADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371350 930174073 /nfs/dbraw/zinc/17/40/73/930174073.db2.gz JHFVXZFMPVJNSC-XLIONFOSSA-N 2 1 351.485 3.516 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371278 930174156 /nfs/dbraw/zinc/17/41/56/930174156.db2.gz FMCWOIFANWRIRG-DOTOQJQBSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371278 930174158 /nfs/dbraw/zinc/17/41/58/930174158.db2.gz FMCWOIFANWRIRG-DOTOQJQBSA-N 2 1 353.913 3.640 20 0 FHADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000126652027 937401641 /nfs/dbraw/zinc/40/16/41/937401641.db2.gz AZLVKNLQWZMKIK-MRXNPFEDSA-N 2 1 372.582 3.612 20 0 FHADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000656127145 930303553 /nfs/dbraw/zinc/30/35/53/930303553.db2.gz PQDUCDFPYVNTGK-DBVUQKKJSA-N 2 1 362.477 3.756 20 0 FHADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325555 930505024 /nfs/dbraw/zinc/50/50/24/930505024.db2.gz QXWOGOGALNHBQA-PMVMPFDFSA-N 2 1 368.521 3.538 20 0 FHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325555 930505031 /nfs/dbraw/zinc/50/50/31/930505031.db2.gz QXWOGOGALNHBQA-PMVMPFDFSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325555 930505041 /nfs/dbraw/zinc/50/50/41/930505041.db2.gz QXWOGOGALNHBQA-PMVMPFDFSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325555 930505046 /nfs/dbraw/zinc/50/50/46/930505046.db2.gz QXWOGOGALNHBQA-PMVMPFDFSA-N 2 1 368.521 3.538 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)CC[N@H+]1C ZINC000558501966 930506033 /nfs/dbraw/zinc/50/60/33/930506033.db2.gz TZHYLGLPWHNHJM-TZMCWYRMSA-N 2 1 350.304 3.545 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1C ZINC000656210854 930632535 /nfs/dbraw/zinc/63/25/35/930632535.db2.gz IYWNGVDONBXEBT-IYBDPMFKSA-N 2 1 373.570 3.656 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000125476191 930640152 /nfs/dbraw/zinc/64/01/52/930640152.db2.gz SEGHIQDOHCBATB-QGZVFWFLSA-N 2 1 370.541 3.697 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000125476191 930640163 /nfs/dbraw/zinc/64/01/63/930640163.db2.gz SEGHIQDOHCBATB-QGZVFWFLSA-N 2 1 370.541 3.697 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000580814346 931197972 /nfs/dbraw/zinc/19/79/72/931197972.db2.gz FKWLZFGZGSSCIE-AWEZNQCLSA-N 2 1 362.315 3.817 20 0 FHADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC000684111641 931348580 /nfs/dbraw/zinc/34/85/80/931348580.db2.gz PRKGFBSZFPFBDB-OAQYLSRUSA-N 2 1 360.505 3.874 20 0 FHADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC000684111641 931348588 /nfs/dbraw/zinc/34/85/88/931348588.db2.gz PRKGFBSZFPFBDB-OAQYLSRUSA-N 2 1 360.505 3.874 20 0 FHADMP Fc1ccccc1Oc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC000580988075 931448774 /nfs/dbraw/zinc/44/87/74/931448774.db2.gz SHIROIHRHTVDGZ-UHFFFAOYSA-N 2 1 355.457 3.977 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2CCC[NH+]2CCCCC2)cc1 ZINC000656407904 931597923 /nfs/dbraw/zinc/59/79/23/931597923.db2.gz UQJYNTWNWFZMSF-KIHHCIJBSA-N 2 1 367.581 3.705 20 0 FHADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC000089728036 931668783 /nfs/dbraw/zinc/66/87/83/931668783.db2.gz QVCITSDBXPLZPO-FXAWDEMLSA-N 2 1 354.494 3.586 20 0 FHADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC000089728036 931668785 /nfs/dbraw/zinc/66/87/85/931668785.db2.gz QVCITSDBXPLZPO-FXAWDEMLSA-N 2 1 354.494 3.586 20 0 FHADMP COCCNc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155305 931709447 /nfs/dbraw/zinc/70/94/47/931709447.db2.gz RRYNRDDFCYMGHF-KNQAVFIVSA-N 2 1 367.537 3.745 20 0 FHADMP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156446 931719856 /nfs/dbraw/zinc/71/98/56/931719856.db2.gz ZAFNCHNWIQOUHI-TZIWHRDSSA-N 2 1 367.537 3.950 20 0 FHADMP COCC[C@H](Cc1ccco1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157748 931750015 /nfs/dbraw/zinc/75/00/15/931750015.db2.gz SPHIIXRZLSAPHP-HMXCVIKNSA-N 2 1 356.510 3.727 20 0 FHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456331 931763351 /nfs/dbraw/zinc/76/33/51/931763351.db2.gz ZCEMMALVIVIGSJ-GMAHTHKFSA-N 2 1 373.504 3.502 20 0 FHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656456331 931763358 /nfs/dbraw/zinc/76/33/58/931763358.db2.gz ZCEMMALVIVIGSJ-GMAHTHKFSA-N 2 1 373.504 3.502 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnc(C)s2)CC1 ZINC000510398941 931908951 /nfs/dbraw/zinc/90/89/51/931908951.db2.gz ZWTCQSDPQIKACG-UHFFFAOYSA-N 2 1 358.555 3.616 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnc(C)s2)CC1 ZINC000510398941 931908956 /nfs/dbraw/zinc/90/89/56/931908956.db2.gz ZWTCQSDPQIKACG-UHFFFAOYSA-N 2 1 358.555 3.616 20 0 FHADMP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000656500374 931911356 /nfs/dbraw/zinc/91/13/56/931911356.db2.gz ABGHYGXSQYLJCY-MRXNPFEDSA-N 2 1 353.432 3.501 20 0 FHADMP COc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548160160 931930032 /nfs/dbraw/zinc/93/00/32/931930032.db2.gz CFZOCMYZGWYPTJ-AVRDEDQJSA-N 2 1 354.494 3.574 20 0 FHADMP COc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548160160 931930037 /nfs/dbraw/zinc/93/00/37/931930037.db2.gz CFZOCMYZGWYPTJ-AVRDEDQJSA-N 2 1 354.494 3.574 20 0 FHADMP CCc1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000430580778 931947446 /nfs/dbraw/zinc/94/74/46/931947446.db2.gz FQAYXNLSPAFEFP-UHFFFAOYSA-N 2 1 359.539 3.702 20 0 FHADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000430588801 931969463 /nfs/dbraw/zinc/96/94/63/931969463.db2.gz GASYTGFSFRYONO-NRFANRHFSA-N 2 1 353.466 3.525 20 0 FHADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430588437 931970290 /nfs/dbraw/zinc/97/02/90/931970290.db2.gz ZFQCSHZSARQJLV-CQSZACIVSA-N 2 1 362.905 3.696 20 0 FHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510417481 931994077 /nfs/dbraw/zinc/99/40/77/931994077.db2.gz VPLCKSUBPSKUIW-GBESFXJTSA-N 2 1 368.521 3.722 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000581596079 932291437 /nfs/dbraw/zinc/29/14/37/932291437.db2.gz RYCGATVQKOQZGU-DENIHFKCSA-N 2 1 371.569 3.586 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000581634976 932359817 /nfs/dbraw/zinc/35/98/17/932359817.db2.gz NOBDLWMHEFNNMX-UHFFFAOYSA-N 2 1 366.553 3.930 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000581634976 932359824 /nfs/dbraw/zinc/35/98/24/932359824.db2.gz NOBDLWMHEFNNMX-UHFFFAOYSA-N 2 1 366.553 3.930 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)nc1 ZINC000656783301 932410936 /nfs/dbraw/zinc/41/09/36/932410936.db2.gz ORKCQKFRVYISAQ-NRFANRHFSA-N 2 1 365.521 3.872 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782805 932411716 /nfs/dbraw/zinc/41/17/16/932411716.db2.gz JUASMPBHNMYOET-SFHVURJKSA-N 2 1 356.489 3.531 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656785569 932420683 /nfs/dbraw/zinc/42/06/83/932420683.db2.gz MGIOKCTXJNNMAB-MRXNPFEDSA-N 2 1 368.468 3.898 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C1 ZINC000155769876 932614449 /nfs/dbraw/zinc/61/44/49/932614449.db2.gz RUKZWNCMLHNXFP-QGZVFWFLSA-N 2 1 365.512 3.738 20 0 FHADMP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155961891 932644210 /nfs/dbraw/zinc/64/42/10/932644210.db2.gz YCGLPOZPVDSECX-MOPGFXCFSA-N 2 1 361.549 3.543 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000510468274 932723783 /nfs/dbraw/zinc/72/37/83/932723783.db2.gz ZJWKKNQLVWIUBE-UHFFFAOYSA-N 2 1 352.906 3.808 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000510468274 932723786 /nfs/dbraw/zinc/72/37/86/932723786.db2.gz ZJWKKNQLVWIUBE-UHFFFAOYSA-N 2 1 352.906 3.808 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430672181 932854941 /nfs/dbraw/zinc/85/49/41/932854941.db2.gz ZCAFOFRJLSMKBA-GOSISDBHSA-N 2 1 351.494 3.614 20 0 FHADMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000083045829 932885838 /nfs/dbraw/zinc/88/58/38/932885838.db2.gz WQRJNKFQEBMULH-UHFFFAOYSA-N 2 1 369.431 3.594 20 0 FHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000581941737 933090166 /nfs/dbraw/zinc/09/01/66/933090166.db2.gz BKVUDVBSMZTHPW-YSIASYRMSA-N 2 1 359.558 3.522 20 0 FHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000657071107 933094780 /nfs/dbraw/zinc/09/47/80/933094780.db2.gz FKAMKKZPSOHQDW-IBGZPJMESA-N 2 1 368.525 3.806 20 0 FHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000657071107 933094791 /nfs/dbraw/zinc/09/47/91/933094791.db2.gz FKAMKKZPSOHQDW-IBGZPJMESA-N 2 1 368.525 3.806 20 0 FHADMP C[N@@H+](CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000548388885 933288944 /nfs/dbraw/zinc/28/89/44/933288944.db2.gz OSDFVNDALNQYHH-FQEVSTJZSA-N 2 1 363.590 3.756 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388765 933292126 /nfs/dbraw/zinc/29/21/26/933292126.db2.gz TUMXTJPSFCXYSV-VQTJNVASSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548388765 933292134 /nfs/dbraw/zinc/29/21/34/933292134.db2.gz TUMXTJPSFCXYSV-VQTJNVASSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548388765 933292151 /nfs/dbraw/zinc/29/21/51/933292151.db2.gz TUMXTJPSFCXYSV-VQTJNVASSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430963524 933510234 /nfs/dbraw/zinc/51/02/34/933510234.db2.gz AAKBMXWHLUUSCY-SCTDSRPQSA-N 2 1 351.494 3.740 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430963524 933510235 /nfs/dbraw/zinc/51/02/35/933510235.db2.gz AAKBMXWHLUUSCY-SCTDSRPQSA-N 2 1 351.494 3.740 20 0 FHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510723246 933523847 /nfs/dbraw/zinc/52/38/47/933523847.db2.gz QQNYQDMESKQOPL-INIZCTEOSA-N 2 1 354.485 3.765 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000510754399 933635066 /nfs/dbraw/zinc/63/50/66/933635066.db2.gz QBGGAJZVWKAUKA-QGZVFWFLSA-N 2 1 374.475 3.908 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994571 933697555 /nfs/dbraw/zinc/69/75/55/933697555.db2.gz CZKCVLOECHXGCO-PKOBYXMFSA-N 2 1 372.475 3.566 20 0 FHADMP CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431095245 933835027 /nfs/dbraw/zinc/83/50/27/933835027.db2.gz UJZBWVFDEYEADU-ZDUSSCGKSA-N 2 1 372.340 3.635 20 0 FHADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431095245 933835035 /nfs/dbraw/zinc/83/50/35/933835035.db2.gz UJZBWVFDEYEADU-ZDUSSCGKSA-N 2 1 372.340 3.635 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000548449884 933893893 /nfs/dbraw/zinc/89/38/93/933893893.db2.gz QITAXPYUXQDHLI-QZTJIDSGSA-N 2 1 359.558 3.701 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000510948772 934221243 /nfs/dbraw/zinc/22/12/43/934221243.db2.gz IYJJHQKWROWWAH-QFBILLFUSA-N 2 1 374.475 3.642 20 0 FHADMP CC(C)n1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000535677000 934258412 /nfs/dbraw/zinc/25/84/12/934258412.db2.gz TTZTWXDHXATMEA-UHFFFAOYSA-N 2 1 352.526 3.952 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1c1ccccn1)C1CC[NH+](C)CC1 ZINC000535780876 934370664 /nfs/dbraw/zinc/37/06/64/934370664.db2.gz YFLULBMVQWTFNE-QHCPKHFHSA-N 2 1 364.537 3.949 20 0 FHADMP C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276998688 934432198 /nfs/dbraw/zinc/43/21/98/934432198.db2.gz YWNSJMJHDROFDM-XHSDSOJGSA-N 2 1 358.486 3.611 20 0 FHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000535819281 934452241 /nfs/dbraw/zinc/45/22/41/934452241.db2.gz GDNTYXIARGAHPA-OAQYLSRUSA-N 2 1 355.526 3.670 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000610814291 934493950 /nfs/dbraw/zinc/49/39/50/934493950.db2.gz FTAUHMZZNWBOBT-CJNGLKHVSA-N 2 1 372.294 3.674 20 0 FHADMP C[C@H](C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000548501519 934627721 /nfs/dbraw/zinc/62/77/21/934627721.db2.gz DQDWYGFZXARRLN-ICSRJNTNSA-N 2 1 357.567 3.505 20 0 FHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](Cc3ccns3)CC2)C1 ZINC001279556570 934813587 /nfs/dbraw/zinc/81/35/87/934813587.db2.gz QQPAGLDNJQJXLX-UHFFFAOYSA-N 2 1 362.568 3.786 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746417 934876119 /nfs/dbraw/zinc/87/61/19/934876119.db2.gz BWMBJPNHQSHCBQ-JKSUJKDBSA-N 2 1 374.479 3.914 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000472063134 934928127 /nfs/dbraw/zinc/92/81/27/934928127.db2.gz NETCTHOIWSDLDA-QHCPKHFHSA-N 2 1 363.505 3.511 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000472063134 934928131 /nfs/dbraw/zinc/92/81/31/934928131.db2.gz NETCTHOIWSDLDA-QHCPKHFHSA-N 2 1 363.505 3.511 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000511024748 934942852 /nfs/dbraw/zinc/94/28/52/934942852.db2.gz GCRLTYLSJMXFGU-UHFFFAOYSA-N 2 1 371.569 3.863 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657308430 935076115 /nfs/dbraw/zinc/07/61/15/935076115.db2.gz SEZWWVHXWAWAEL-QHCPKHFHSA-N 2 1 368.521 3.984 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000657309415 935087074 /nfs/dbraw/zinc/08/70/74/935087074.db2.gz CGDLALVPKZMOEY-KRWDZBQOSA-N 2 1 352.526 3.962 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657311140 935090613 /nfs/dbraw/zinc/09/06/13/935090613.db2.gz UFXXTBZNBMUBNG-GOSISDBHSA-N 2 1 352.526 3.815 20 0 FHADMP COc1ccsc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000472128070 935101323 /nfs/dbraw/zinc/10/13/23/935101323.db2.gz LWGQNILKFWCFOC-HKUYNNGSSA-N 2 1 373.566 3.786 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657313142 935116340 /nfs/dbraw/zinc/11/63/40/935116340.db2.gz GCXNVKNMKYYQFX-HDICACEKSA-N 2 1 367.541 3.771 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657313142 935116345 /nfs/dbraw/zinc/11/63/45/935116345.db2.gz GCXNVKNMKYYQFX-HDICACEKSA-N 2 1 367.541 3.771 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657348384 935313427 /nfs/dbraw/zinc/31/34/27/935313427.db2.gz UGNIHBYSDBKPJJ-QFIPXVFZSA-N 2 1 354.494 3.596 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582140535 935325089 /nfs/dbraw/zinc/32/50/89/935325089.db2.gz UWKPPBARSXMUJZ-YQVWRLOYSA-N 2 1 353.514 3.571 20 0 FHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)CC[N@@H+](C)C3CCCCC3)cccc21 ZINC000548720588 935481826 /nfs/dbraw/zinc/48/18/26/935481826.db2.gz LVULOZVUIUYDCA-LJQANCHMSA-N 2 1 359.514 3.665 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657384895 935483917 /nfs/dbraw/zinc/48/39/17/935483917.db2.gz SCJQPJOCRDQNSD-SFHVURJKSA-N 2 1 360.542 3.987 20 0 FHADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657385397 935487085 /nfs/dbraw/zinc/48/70/85/935487085.db2.gz VRTGWIXIPUQVPC-JOCHJYFZSA-N 2 1 358.526 3.741 20 0 FHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000647248823 935561566 /nfs/dbraw/zinc/56/15/66/935561566.db2.gz INHNIKLPJGQZBV-QVGHQYEOSA-N 2 1 363.549 3.757 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248823 935561569 /nfs/dbraw/zinc/56/15/69/935561569.db2.gz INHNIKLPJGQZBV-QVGHQYEOSA-N 2 1 363.549 3.757 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248823 935561572 /nfs/dbraw/zinc/56/15/72/935561572.db2.gz INHNIKLPJGQZBV-QVGHQYEOSA-N 2 1 363.549 3.757 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415630 935640193 /nfs/dbraw/zinc/64/01/93/935640193.db2.gz NEHVJALQWJXMDB-IEBWSBKVSA-N 2 1 352.526 3.688 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000511119067 935669393 /nfs/dbraw/zinc/66/93/93/935669393.db2.gz GXLCWJJOHGCMTL-UHFFFAOYSA-N 2 1 357.542 3.523 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc21 ZINC000657428747 935703404 /nfs/dbraw/zinc/70/34/04/935703404.db2.gz AWPZQXGMGWXSKG-OAQYLSRUSA-N 2 1 363.505 3.723 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCCO1 ZINC000657448977 935794418 /nfs/dbraw/zinc/79/44/18/935794418.db2.gz OXMZICJRCVTAIU-KRWDZBQOSA-N 2 1 373.472 3.604 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCCO1 ZINC000657448977 935794419 /nfs/dbraw/zinc/79/44/19/935794419.db2.gz OXMZICJRCVTAIU-KRWDZBQOSA-N 2 1 373.472 3.604 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000237153058 935796931 /nfs/dbraw/zinc/79/69/31/935796931.db2.gz UYNYFAZCVRYFHH-UHFFFAOYSA-N 2 1 365.521 3.840 20 0 FHADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152880003 935876198 /nfs/dbraw/zinc/87/61/98/935876198.db2.gz YSCFCROZXGDOBO-QFIPXVFZSA-N 2 1 367.562 3.709 20 0 FHADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1c(F)cccc1F ZINC000051793735 935881857 /nfs/dbraw/zinc/88/18/57/935881857.db2.gz CPQJLFPWXASTNO-LJQANCHMSA-N 2 1 352.469 3.586 20 0 FHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000582648416 935906462 /nfs/dbraw/zinc/90/64/62/935906462.db2.gz RQPSVNWKLUMSCQ-GHTZIAJQSA-N 2 1 368.521 3.889 20 0 FHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000582648416 935906466 /nfs/dbraw/zinc/90/64/66/935906466.db2.gz RQPSVNWKLUMSCQ-GHTZIAJQSA-N 2 1 368.521 3.889 20 0 FHADMP Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684967862 935915826 /nfs/dbraw/zinc/91/58/26/935915826.db2.gz ROTCUMDQYGMDEU-QFIPXVFZSA-N 2 1 368.525 3.622 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCc1ccccc1 ZINC000582666420 935924432 /nfs/dbraw/zinc/92/44/32/935924432.db2.gz RBFNVGZDYIADTI-HSZRJFAPSA-N 2 1 366.505 3.850 20 0 FHADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCc1ccccc1 ZINC000582666420 935924435 /nfs/dbraw/zinc/92/44/35/935924435.db2.gz RBFNVGZDYIADTI-HSZRJFAPSA-N 2 1 366.505 3.850 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237348389 935954851 /nfs/dbraw/zinc/95/48/51/935954851.db2.gz XJVDDKXTRQVJHA-XMSQKQJNSA-N 2 1 365.521 3.767 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000075007850 936003008 /nfs/dbraw/zinc/00/30/08/936003008.db2.gz MBBPYLHTGJYQNU-UHFFFAOYSA-N 2 1 374.554 3.528 20 0 FHADMP CC1(C)CC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC(C)(C)[NH2+]1 ZINC000061003174 936017087 /nfs/dbraw/zinc/01/70/87/936017087.db2.gz SFBIMPPBDNQZLL-UHFFFAOYSA-N 2 1 369.303 3.577 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000077274171 936043200 /nfs/dbraw/zinc/04/32/00/936043200.db2.gz XPVCMZGLJPXHLB-UHFFFAOYSA-N 2 1 362.905 3.737 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000077274171 936043203 /nfs/dbraw/zinc/04/32/03/936043203.db2.gz XPVCMZGLJPXHLB-UHFFFAOYSA-N 2 1 362.905 3.737 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597226 936072967 /nfs/dbraw/zinc/07/29/67/936072967.db2.gz RBEFFKREFSPOPK-UXHICEINSA-N 2 1 370.924 3.554 20 0 FHADMP Cc1cc2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc2cc1C ZINC000657594648 936074650 /nfs/dbraw/zinc/07/46/50/936074650.db2.gz JSFAYCDMMOQKBL-OAQYLSRUSA-N 2 1 364.489 3.906 20 0 FHADMP C[C@@H](CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237475679 936074769 /nfs/dbraw/zinc/07/47/69/936074769.db2.gz URIJDAVWTNCGSG-XQBPLPMBSA-N 2 1 371.569 3.561 20 0 FHADMP C[C@@H](CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000237475650 936074808 /nfs/dbraw/zinc/07/48/08/936074808.db2.gz BZJDEHLTROZXLF-MOPGFXCFSA-N 2 1 371.569 3.561 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000657594916 936075607 /nfs/dbraw/zinc/07/56/07/936075607.db2.gz KZXFAPILIUMUBV-SFHVURJKSA-N 2 1 365.304 3.850 20 0 FHADMP COc1cc2cccnc2c(N(c2ccc(C)c(N)[nH+]2)[C@@H](C)CCC[NH3+])c1 ZINC001167611317 936081154 /nfs/dbraw/zinc/08/11/54/936081154.db2.gz LOCJVXNJTNRBHR-HNNXBMFYSA-N 2 1 365.481 3.795 20 0 FHADMP CCc1ccc(CC)c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000438855743 945144441 /nfs/dbraw/zinc/14/44/41/945144441.db2.gz KELNACMDZXUHPH-FQEVSTJZSA-N 2 1 374.573 3.691 20 0 FHADMP C[NH+]1CCC(CNc2ccnc(-c3ccccc3)n2)([NH+]2CCCCC2)CC1 ZINC000078457616 936166793 /nfs/dbraw/zinc/16/67/93/936166793.db2.gz ZDKLZUWRZZHGCF-UHFFFAOYSA-N 2 1 365.525 3.506 20 0 FHADMP Brc1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660773 936182320 /nfs/dbraw/zinc/18/23/20/936182320.db2.gz RBWHIUAZIGRKJY-QZTJIDSGSA-N 2 1 363.343 3.988 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237675783 936198898 /nfs/dbraw/zinc/19/88/98/936198898.db2.gz XGEUHBSTGXTENT-LAUBAEHRSA-N 2 1 351.494 3.947 20 0 FHADMP C[N@@H+]1CCN(CC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1(C)C ZINC000685042675 936234002 /nfs/dbraw/zinc/23/40/02/936234002.db2.gz LOJRFWNNNWWAMU-UHFFFAOYSA-N 2 1 364.748 3.762 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1(C)C ZINC000685042675 936234005 /nfs/dbraw/zinc/23/40/05/936234005.db2.gz LOJRFWNNNWWAMU-UHFFFAOYSA-N 2 1 364.748 3.762 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000657687304 936249841 /nfs/dbraw/zinc/24/98/41/936249841.db2.gz HAFXFCHOGFFVRF-YJSIEXFISA-N 2 1 366.553 3.774 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000657687304 936249847 /nfs/dbraw/zinc/24/98/47/936249847.db2.gz HAFXFCHOGFFVRF-YJSIEXFISA-N 2 1 366.553 3.774 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000078804621 936280444 /nfs/dbraw/zinc/28/04/44/936280444.db2.gz SHHCICOBXWMTBH-JXFKEZNVSA-N 2 1 368.949 3.583 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706212 938285190 /nfs/dbraw/zinc/28/51/90/938285190.db2.gz GNJPHGKZEINCFW-LZQZEXGQSA-N 2 1 359.901 3.607 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706256 938285427 /nfs/dbraw/zinc/28/54/27/938285427.db2.gz HFWVMPCEOOAJFP-IIAWOOMASA-N 2 1 363.552 3.590 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707430 938289521 /nfs/dbraw/zinc/28/95/21/938289521.db2.gz GCWUBKWUFUJZQN-CLCXKQKWSA-N 2 1 354.897 3.630 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000472291116 938293917 /nfs/dbraw/zinc/29/39/17/938293917.db2.gz JCVPWJFOVVPNEB-NRFANRHFSA-N 2 1 369.509 3.807 20 0 FHADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564398 938306522 /nfs/dbraw/zinc/30/65/22/938306522.db2.gz OCZCYIPEPOPSBZ-FQEVSTJZSA-N 2 1 360.505 3.823 20 0 FHADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564398 938306524 /nfs/dbraw/zinc/30/65/24/938306524.db2.gz OCZCYIPEPOPSBZ-FQEVSTJZSA-N 2 1 360.505 3.823 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647299426 938307927 /nfs/dbraw/zinc/30/79/27/938307927.db2.gz GJIZDGCCBSMKTC-PKTZIBPZSA-N 2 1 367.537 3.915 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722887 938310139 /nfs/dbraw/zinc/31/01/39/938310139.db2.gz DBAUOHCGGWOVBH-LZQZEXGQSA-N 2 1 359.901 3.749 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000650723473 938310692 /nfs/dbraw/zinc/31/06/92/938310692.db2.gz OPNHVWCJNLPBAL-KMFMINBZSA-N 2 1 374.859 3.802 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3cccs3)n2)C1 ZINC000650723989 938311135 /nfs/dbraw/zinc/31/11/35/938311135.db2.gz WNWCGRFWIKEOEO-FVQBIDKESA-N 2 1 363.552 3.732 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3cccs3)n2)C1 ZINC000650723989 938311136 /nfs/dbraw/zinc/31/11/36/938311136.db2.gz WNWCGRFWIKEOEO-FVQBIDKESA-N 2 1 363.552 3.732 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000650725198 938313184 /nfs/dbraw/zinc/31/31/84/938313184.db2.gz VMQUPOAYZYENOM-VHDGCEQUSA-N 2 1 361.288 3.993 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000650725198 938313186 /nfs/dbraw/zinc/31/31/86/938313186.db2.gz VMQUPOAYZYENOM-VHDGCEQUSA-N 2 1 361.288 3.993 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000126930631 938328732 /nfs/dbraw/zinc/32/87/32/938328732.db2.gz XXZUWFFGBMPTHR-OXQOHEQNSA-N 2 1 366.509 3.622 20 0 FHADMP CCc1cc2c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)oc2cc1O ZINC000728572178 938332427 /nfs/dbraw/zinc/33/24/27/938332427.db2.gz UJXJZYIHZAZKFM-UHFFFAOYSA-N 2 1 372.509 3.613 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657778522 938337544 /nfs/dbraw/zinc/33/75/44/938337544.db2.gz QPEGMBAIMNILMP-SQNIBIBYSA-N 2 1 351.332 3.987 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795503 938416906 /nfs/dbraw/zinc/41/69/06/938416906.db2.gz KCIXWXNUBPHRFE-PTUXOGIPSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795503 938416908 /nfs/dbraw/zinc/41/69/08/938416908.db2.gz KCIXWXNUBPHRFE-PTUXOGIPSA-N 2 1 364.533 3.938 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000650758854 938429550 /nfs/dbraw/zinc/42/95/50/938429550.db2.gz ZDOUXKCYHZOTJH-CQSZACIVSA-N 2 1 369.900 3.799 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1)CC1CC1 ZINC000536139343 938438234 /nfs/dbraw/zinc/43/82/34/938438234.db2.gz DFETYOCNYQNUHJ-UHFFFAOYSA-N 2 1 367.541 3.601 20 0 FHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000564731442 938445627 /nfs/dbraw/zinc/44/56/27/938445627.db2.gz IBIPARBCAJIGCN-FQEVSTJZSA-N 2 1 358.913 3.895 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)c1cccc(Br)c1 ZINC000583899397 938473416 /nfs/dbraw/zinc/47/34/16/938473416.db2.gz NPJAJXBPZBYTSA-UWWQBHOKSA-N 2 1 351.332 3.969 20 0 FHADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc(Br)c1 ZINC000583899397 938473418 /nfs/dbraw/zinc/47/34/18/938473418.db2.gz NPJAJXBPZBYTSA-UWWQBHOKSA-N 2 1 351.332 3.969 20 0 FHADMP CC[C@@H](CC(F)F)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538312 945179808 /nfs/dbraw/zinc/17/98/08/945179808.db2.gz ONQHWDZIOAATIQ-ICSRJNTNSA-N 2 1 365.512 3.560 20 0 FHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000151353152 938532827 /nfs/dbraw/zinc/53/28/27/938532827.db2.gz GOMGNTMRZJBLGY-LJQANCHMSA-N 2 1 368.521 3.763 20 0 FHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000584026507 938556786 /nfs/dbraw/zinc/55/67/86/938556786.db2.gz OILIZBWBEVYJKJ-MOPGFXCFSA-N 2 1 374.573 3.632 20 0 FHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657831202 938619681 /nfs/dbraw/zinc/61/96/81/938619681.db2.gz ZCNDEZUHTJCBEE-INIZCTEOSA-N 2 1 351.332 3.987 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657835850 938641434 /nfs/dbraw/zinc/64/14/34/938641434.db2.gz OYCSGTYTDZAIGR-FQEVSTJZSA-N 2 1 357.586 3.504 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657837165 938669390 /nfs/dbraw/zinc/66/93/90/938669390.db2.gz QXZVYBMTZHIBHC-WMZHIEFXSA-N 2 1 374.569 3.982 20 0 FHADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC000584323268 938686816 /nfs/dbraw/zinc/68/68/16/938686816.db2.gz GLBRIUHNRZSIQB-LEWJYISDSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC000584323268 938686818 /nfs/dbraw/zinc/68/68/18/938686818.db2.gz GLBRIUHNRZSIQB-LEWJYISDSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC000584323268 938686821 /nfs/dbraw/zinc/68/68/21/938686821.db2.gz GLBRIUHNRZSIQB-LEWJYISDSA-N 2 1 360.505 3.527 20 0 FHADMP Cc1cc(N2CCC([N@H+](C)Cc3cccc4cccnc43)CC2)nc(C)[nH+]1 ZINC000080982613 938712457 /nfs/dbraw/zinc/71/24/57/938712457.db2.gz YSFXDSJGQOWSFG-UHFFFAOYSA-N 2 1 361.493 3.742 20 0 FHADMP Cc1cc(N2CCC([N@@H+](C)Cc3cccc4cccnc43)CC2)nc(C)[nH+]1 ZINC000080982613 938712459 /nfs/dbraw/zinc/71/24/59/938712459.db2.gz YSFXDSJGQOWSFG-UHFFFAOYSA-N 2 1 361.493 3.742 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657847281 938715544 /nfs/dbraw/zinc/71/55/44/938715544.db2.gz TXVGHMVVNWPUDN-UYAOXDASSA-N 2 1 350.934 3.803 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000584380941 938782186 /nfs/dbraw/zinc/78/21/86/938782186.db2.gz ZNWMXGCSDHDAGR-QIJUGHKUSA-N 2 1 350.506 3.799 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000584380941 938782189 /nfs/dbraw/zinc/78/21/89/938782189.db2.gz ZNWMXGCSDHDAGR-QIJUGHKUSA-N 2 1 350.506 3.799 20 0 FHADMP CN(CCC[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000660547676 945203639 /nfs/dbraw/zinc/20/36/39/945203639.db2.gz CHSHSYSEUCZLTL-IBGZPJMESA-N 2 1 373.522 3.536 20 0 FHADMP CN(CCC[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000660547677 945203903 /nfs/dbraw/zinc/20/39/03/945203903.db2.gz CHSHSYSEUCZLTL-LJQANCHMSA-N 2 1 373.522 3.536 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631905 938800030 /nfs/dbraw/zinc/80/00/30/938800030.db2.gz NKNLTNQRPFZDHB-IBGZPJMESA-N 2 1 365.521 3.832 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631905 938800032 /nfs/dbraw/zinc/80/00/32/938800032.db2.gz NKNLTNQRPFZDHB-IBGZPJMESA-N 2 1 365.521 3.832 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631905 938800034 /nfs/dbraw/zinc/80/00/34/938800034.db2.gz NKNLTNQRPFZDHB-IBGZPJMESA-N 2 1 365.521 3.832 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)n1 ZINC000081633726 938800089 /nfs/dbraw/zinc/80/00/89/938800089.db2.gz ARGAYZSXPPFSJA-OAQYLSRUSA-N 2 1 352.526 3.653 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)n1 ZINC000081633726 938800091 /nfs/dbraw/zinc/80/00/91/938800091.db2.gz ARGAYZSXPPFSJA-OAQYLSRUSA-N 2 1 352.526 3.653 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)n1 ZINC000081633726 938800095 /nfs/dbraw/zinc/80/00/95/938800095.db2.gz ARGAYZSXPPFSJA-OAQYLSRUSA-N 2 1 352.526 3.653 20 0 FHADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000090666928 938881628 /nfs/dbraw/zinc/88/16/28/938881628.db2.gz PZRXVCCYFHVKCF-KPRXVCGWSA-N 2 1 369.553 3.919 20 0 FHADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000090666928 938881631 /nfs/dbraw/zinc/88/16/31/938881631.db2.gz PZRXVCCYFHVKCF-KPRXVCGWSA-N 2 1 369.553 3.919 20 0 FHADMP COc1cccc(COCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090806992 938882644 /nfs/dbraw/zinc/88/26/44/938882644.db2.gz OEVIIVTXOGBTEJ-KNQAVFIVSA-N 2 1 368.521 3.855 20 0 FHADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090806992 938882647 /nfs/dbraw/zinc/88/26/47/938882647.db2.gz OEVIIVTXOGBTEJ-KNQAVFIVSA-N 2 1 368.521 3.855 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1COc2ccccc21 ZINC000090844763 938883580 /nfs/dbraw/zinc/88/35/80/938883580.db2.gz NCKWSDSZOLSPKZ-VGOFRKELSA-N 2 1 368.496 3.987 20 0 FHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C2CC2)cc1 ZINC000091315260 938899904 /nfs/dbraw/zinc/89/99/04/938899904.db2.gz HCQXRWIAGCLIGO-QHCPKHFHSA-N 2 1 365.521 3.838 20 0 FHADMP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000144364244 938951347 /nfs/dbraw/zinc/95/13/47/938951347.db2.gz CMFIVMWFRLVPLF-QFIPXVFZSA-N 2 1 365.521 3.592 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000519226296 945218212 /nfs/dbraw/zinc/21/82/12/945218212.db2.gz YIZSBMAFSVQCRF-GOSISDBHSA-N 2 1 351.579 3.515 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCSCC3)CC2)cs1 ZINC000657878218 938966220 /nfs/dbraw/zinc/96/62/20/938966220.db2.gz FMZGHEALRRKNQJ-INIZCTEOSA-N 2 1 353.601 3.793 20 0 FHADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000668740971 938976425 /nfs/dbraw/zinc/97/64/25/938976425.db2.gz YSPXBAJPIHVERT-LJQANCHMSA-N 2 1 370.459 3.559 20 0 FHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457628 938987815 /nfs/dbraw/zinc/98/78/15/938987815.db2.gz HKFVPWMMNJJCRM-SFHVURJKSA-N 2 1 356.341 3.594 20 0 FHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458546 938988034 /nfs/dbraw/zinc/98/80/34/938988034.db2.gz ZNPPDBNKFUXUIM-HXUWFJFHSA-N 2 1 359.602 3.732 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685463141 938988703 /nfs/dbraw/zinc/98/87/03/938988703.db2.gz PDUMPWTZHPNWBA-IBGZPJMESA-N 2 1 370.516 3.792 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000685464195 938988852 /nfs/dbraw/zinc/98/88/52/938988852.db2.gz DJWWQWHBGAHNII-FCHUYYIVSA-N 2 1 372.553 3.800 20 0 FHADMP CC(C)(O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000382313940 938997645 /nfs/dbraw/zinc/99/76/45/938997645.db2.gz OVQCLONSZORNOR-NRFANRHFSA-N 2 1 352.522 3.916 20 0 FHADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571176 939001950 /nfs/dbraw/zinc/00/19/50/939001950.db2.gz HRUOCQVJDARLKR-ROUUACIJSA-N 2 1 358.448 3.837 20 0 FHADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571176 939001951 /nfs/dbraw/zinc/00/19/51/939001951.db2.gz HRUOCQVJDARLKR-ROUUACIJSA-N 2 1 358.448 3.837 20 0 FHADMP Cc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000685665666 939010623 /nfs/dbraw/zinc/01/06/23/939010623.db2.gz ZCJIAGAJQWCHLI-QFIPXVFZSA-N 2 1 368.496 3.734 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1csc(Cl)c1 ZINC000658134726 939030193 /nfs/dbraw/zinc/03/01/93/939030193.db2.gz BQTJEZXXHHVPIU-CXAGYDPISA-N 2 1 350.915 3.819 20 0 FHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658136508 939031214 /nfs/dbraw/zinc/03/12/14/939031214.db2.gz DHIHTAPXIFMGEA-KNQAVFIVSA-N 2 1 350.506 3.765 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143142 939036165 /nfs/dbraw/zinc/03/61/65/939036165.db2.gz WXWHGARUWNQLIW-UWJYYQICSA-N 2 1 361.489 3.652 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137834 939040646 /nfs/dbraw/zinc/04/06/46/939040646.db2.gz IMUZXFQVSQXJDK-QUCCMNQESA-N 2 1 372.509 3.719 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137603 939040699 /nfs/dbraw/zinc/04/06/99/939040699.db2.gz KMWQNPLHTMWVSD-ISKFKSNPSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137603 939040704 /nfs/dbraw/zinc/04/07/04/939040704.db2.gz KMWQNPLHTMWVSD-ISKFKSNPSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137603 939040709 /nfs/dbraw/zinc/04/07/09/939040709.db2.gz KMWQNPLHTMWVSD-ISKFKSNPSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138844 939041318 /nfs/dbraw/zinc/04/13/18/939041318.db2.gz OOICFGUOBJSCFK-CTNGQTDRSA-N 2 1 356.897 3.684 20 0 FHADMP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138651 939041819 /nfs/dbraw/zinc/04/18/19/939041819.db2.gz OELANUVPGJKZSK-UTKZUKDTSA-N 2 1 364.489 3.720 20 0 FHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138360 939042375 /nfs/dbraw/zinc/04/23/75/939042375.db2.gz JIBHULKIQFDNBH-IRLDBZIGSA-N 2 1 366.505 3.565 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658212799 939076873 /nfs/dbraw/zinc/07/68/73/939076873.db2.gz MFIUVWXXFKZVPC-KSEOMHKRSA-N 2 1 364.537 3.830 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658212799 939076878 /nfs/dbraw/zinc/07/68/78/939076878.db2.gz MFIUVWXXFKZVPC-KSEOMHKRSA-N 2 1 364.537 3.830 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268212 939088700 /nfs/dbraw/zinc/08/87/00/939088700.db2.gz KVLGSYPQTVMFGG-UWJYYQICSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268212 939088704 /nfs/dbraw/zinc/08/87/04/939088704.db2.gz KVLGSYPQTVMFGG-UWJYYQICSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658269617 939094193 /nfs/dbraw/zinc/09/41/93/939094193.db2.gz WWCMAJUQZXNONC-MZADTFQBSA-N 2 1 364.537 3.973 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658269617 939094198 /nfs/dbraw/zinc/09/41/98/939094198.db2.gz WWCMAJUQZXNONC-MZADTFQBSA-N 2 1 364.537 3.973 20 0 FHADMP CC(C)[C@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658289266 939098783 /nfs/dbraw/zinc/09/87/83/939098783.db2.gz YPWVLUDQAWVCLQ-GOTSBHOMSA-N 2 1 352.522 3.999 20 0 FHADMP CCC[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320154 939110414 /nfs/dbraw/zinc/11/04/14/939110414.db2.gz OJFMTJKFQORLIX-OAQYLSRUSA-N 2 1 355.570 3.753 20 0 FHADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320154 939110425 /nfs/dbraw/zinc/11/04/25/939110425.db2.gz OJFMTJKFQORLIX-OAQYLSRUSA-N 3 1 355.570 3.753 20 0 FHADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320154 939110427 /nfs/dbraw/zinc/11/04/27/939110427.db2.gz OJFMTJKFQORLIX-OAQYLSRUSA-N 3 1 355.570 3.753 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319727 939110757 /nfs/dbraw/zinc/11/07/57/939110757.db2.gz HJCWHZQCMWOAHE-SIKLNZKXSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319727 939110762 /nfs/dbraw/zinc/11/07/62/939110762.db2.gz HJCWHZQCMWOAHE-SIKLNZKXSA-N 2 1 355.570 3.609 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319440 939111183 /nfs/dbraw/zinc/11/11/83/939111183.db2.gz AWBXWBOIGIYVEY-CTNGQTDRSA-N 2 1 364.537 3.689 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319468 939111259 /nfs/dbraw/zinc/11/12/59/939111259.db2.gz BSVSFBBMLDZJRL-WOJBJXKFSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319468 939111261 /nfs/dbraw/zinc/11/12/61/939111261.db2.gz BSVSFBBMLDZJRL-WOJBJXKFSA-N 2 1 352.526 3.763 20 0 FHADMP CC[N@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111284 /nfs/dbraw/zinc/11/12/84/939111284.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111287 /nfs/dbraw/zinc/11/12/87/939111287.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111288 /nfs/dbraw/zinc/11/12/88/939111288.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 2 1 355.570 3.609 20 0 FHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111289 /nfs/dbraw/zinc/11/12/89/939111289.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 3 1 355.570 3.609 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111293 /nfs/dbraw/zinc/11/12/93/939111293.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111295 /nfs/dbraw/zinc/11/12/95/939111295.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111297 /nfs/dbraw/zinc/11/12/97/939111297.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364226 939126840 /nfs/dbraw/zinc/12/68/40/939126840.db2.gz YLNSXSJZTXCOHL-GBCNUAAFSA-N 2 1 350.506 3.894 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364226 939126843 /nfs/dbraw/zinc/12/68/43/939126843.db2.gz YLNSXSJZTXCOHL-GBCNUAAFSA-N 2 1 350.506 3.894 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686507 939136621 /nfs/dbraw/zinc/13/66/21/939136621.db2.gz RIXAVWOCMAEULS-URXFXBBRSA-N 2 1 371.613 3.993 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000507429563 945232080 /nfs/dbraw/zinc/23/20/80/945232080.db2.gz PCVUJJHVIJNSLN-MHTWAQMVSA-N 2 1 354.494 3.857 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000507429563 945232084 /nfs/dbraw/zinc/23/20/84/945232084.db2.gz PCVUJJHVIJNSLN-MHTWAQMVSA-N 2 1 354.494 3.857 20 0 FHADMP Fc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1C(F)F ZINC000892453351 939192945 /nfs/dbraw/zinc/19/29/45/939192945.db2.gz VQSDLDWVZXOUIG-UHFFFAOYSA-N 2 1 364.411 3.885 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3n[nH]c(C)c3c2)CC1)CC(C)C ZINC000518258464 945261920 /nfs/dbraw/zinc/26/19/20/945261920.db2.gz IWBYZQRHKYAFEU-UHFFFAOYSA-N 2 1 357.546 3.846 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507487529 945274769 /nfs/dbraw/zinc/27/47/69/945274769.db2.gz RIRRBEAABZPHKY-HSALFYBXSA-N 2 1 358.526 3.609 20 0 FHADMP C[NH+](C)C1(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000310536333 939924779 /nfs/dbraw/zinc/92/47/79/939924779.db2.gz RBHZYXQXEKAWGC-UHFFFAOYSA-N 2 1 353.551 3.676 20 0 FHADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc(OC(F)(F)F)c1 ZINC001143462830 939959706 /nfs/dbraw/zinc/95/97/06/939959706.db2.gz PNSGAHYZQFAXSN-UHFFFAOYSA-N 2 1 351.372 3.611 20 0 FHADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCc1cccs1 ZINC000518280066 945285339 /nfs/dbraw/zinc/28/53/39/945285339.db2.gz MUQHLBCJVVMEED-UHFFFAOYSA-N 2 1 357.479 3.630 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375860420 939982608 /nfs/dbraw/zinc/98/26/08/939982608.db2.gz ICVQWOWINOCMNI-HXUWFJFHSA-N 2 1 350.466 3.802 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162246511 940037000 /nfs/dbraw/zinc/03/70/00/940037000.db2.gz GYRWZLREAVOOTC-MRXNPFEDSA-N 2 1 368.525 3.682 20 0 FHADMP c1csc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296391 /nfs/dbraw/zinc/29/63/91/945296391.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 2 1 371.594 3.517 20 0 FHADMP c1csc(CN2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296400 /nfs/dbraw/zinc/29/64/00/945296400.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 2 1 371.594 3.517 20 0 FHADMP c1csc(CN2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296406 /nfs/dbraw/zinc/29/64/06/945296406.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 2 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296415 /nfs/dbraw/zinc/29/64/15/945296415.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 3 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296422 /nfs/dbraw/zinc/29/64/22/945296422.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 3 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296431 /nfs/dbraw/zinc/29/64/31/945296431.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 3 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296437 /nfs/dbraw/zinc/29/64/37/945296437.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 3 1 371.594 3.517 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000414903409 945295479 /nfs/dbraw/zinc/29/54/79/945295479.db2.gz LYJWBUBIWTUDRD-FUHWJXTLSA-N 2 1 369.513 3.646 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000075007815 940249286 /nfs/dbraw/zinc/24/92/86/940249286.db2.gz WYIMMZUYHUSULW-UHFFFAOYSA-N 2 1 371.525 3.973 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414060241 940469437 /nfs/dbraw/zinc/46/94/37/940469437.db2.gz ASVYWOGMDOXDMG-PKOBYXMFSA-N 2 1 350.934 3.803 20 0 FHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H]1C[C@@H]1C ZINC000414062279 940470305 /nfs/dbraw/zinc/47/03/05/940470305.db2.gz BKMDWHJUCWPXAM-HSQYWUDLSA-N 2 1 360.542 3.700 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431752235 940470800 /nfs/dbraw/zinc/47/08/00/940470800.db2.gz RRLDPMFEMKKXBC-QFIPXVFZSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431752235 940470802 /nfs/dbraw/zinc/47/08/02/940470802.db2.gz RRLDPMFEMKKXBC-QFIPXVFZSA-N 2 1 371.569 3.940 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431752235 940470803 /nfs/dbraw/zinc/47/08/03/940470803.db2.gz RRLDPMFEMKKXBC-QFIPXVFZSA-N 2 1 371.569 3.940 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776924 940493421 /nfs/dbraw/zinc/49/34/21/940493421.db2.gz UZTRKBQNNDZHHB-LEWJYISDSA-N 2 1 357.542 3.513 20 0 FHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100862 940504406 /nfs/dbraw/zinc/50/44/06/940504406.db2.gz LOMQGKLAEWISNF-CMKODMSKSA-N 2 1 352.526 3.781 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000158375876 940625136 /nfs/dbraw/zinc/62/51/36/940625136.db2.gz VORFQVVCMQCCSB-LJQANCHMSA-N 2 1 368.496 3.989 20 0 FHADMP CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000174819836 940780086 /nfs/dbraw/zinc/78/00/86/940780086.db2.gz JDXMNETVMMGDRP-LJQANCHMSA-N 2 1 360.546 3.519 20 0 FHADMP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290869 940901075 /nfs/dbraw/zinc/90/10/75/940901075.db2.gz NYDWXHBDISVRHW-SNJCGAMXSA-N 2 1 368.496 3.687 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657226 945358759 /nfs/dbraw/zinc/35/87/59/945358759.db2.gz OQNDTRUKFRLGPK-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657226 945358771 /nfs/dbraw/zinc/35/87/71/945358771.db2.gz OQNDTRUKFRLGPK-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657226 945358781 /nfs/dbraw/zinc/35/87/81/945358781.db2.gz OQNDTRUKFRLGPK-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H](C)C1 ZINC000414343801 941009173 /nfs/dbraw/zinc/00/91/73/941009173.db2.gz RBQRLBHKLLFCJL-XODARUQUSA-N 2 1 360.542 3.525 20 0 FHADMP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000647530865 941034135 /nfs/dbraw/zinc/03/41/35/941034135.db2.gz LMWDTVGELCUZHA-UHFFFAOYSA-N 2 1 358.457 3.727 20 0 FHADMP Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000376460468 941052806 /nfs/dbraw/zinc/05/28/06/941052806.db2.gz XCJADHOPJCCWHT-FQEVSTJZSA-N 2 1 366.465 3.577 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccnc(Cl)c3)CC2)oc1C ZINC000162758880 941056980 /nfs/dbraw/zinc/05/69/80/941056980.db2.gz GCCBTZKFAIPHJD-AWEZNQCLSA-N 2 1 362.905 3.903 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543828 941065738 /nfs/dbraw/zinc/06/57/38/941065738.db2.gz SOKAPLKXPHCHDV-SFTDATJTSA-N 2 1 365.521 3.872 20 0 FHADMP C[C@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000187077678 941077545 /nfs/dbraw/zinc/07/75/45/941077545.db2.gz UJXBNVXRECHEKV-QRVBRYPASA-N 2 1 363.977 3.934 20 0 FHADMP C[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000187077678 941077546 /nfs/dbraw/zinc/07/75/46/941077546.db2.gz UJXBNVXRECHEKV-QRVBRYPASA-N 2 1 363.977 3.934 20 0 FHADMP C[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000187077678 941077547 /nfs/dbraw/zinc/07/75/47/941077547.db2.gz UJXBNVXRECHEKV-QRVBRYPASA-N 2 1 363.977 3.934 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892669395 941120785 /nfs/dbraw/zinc/12/07/85/941120785.db2.gz GUGNVVGRQKLRNG-QFBILLFUSA-N 2 1 370.459 3.567 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000178845828 941310966 /nfs/dbraw/zinc/31/09/66/941310966.db2.gz IBXYWOIKADEODC-BEVDRBHNSA-N 2 1 354.498 3.656 20 0 FHADMP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636153 941369897 /nfs/dbraw/zinc/36/98/97/941369897.db2.gz DXKBHXPUJUDVHK-SFHLNBCPSA-N 2 1 361.599 3.515 20 0 FHADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000376725670 941390556 /nfs/dbraw/zinc/39/05/56/941390556.db2.gz GVILMHRGRAYKBS-UHFFFAOYSA-N 2 1 368.403 3.529 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3C[C@@H]3c3cccs3)CC2)nc(C)[nH+]1 ZINC000376773405 941424760 /nfs/dbraw/zinc/42/47/60/941424760.db2.gz QCSBHCUZOJSOSM-QGTPRVQTSA-N 2 1 356.539 3.906 20 0 FHADMP c1ccc(CSCC[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377086259 941511755 /nfs/dbraw/zinc/51/17/55/941511755.db2.gz IZKHVSPXWQDKMW-UHFFFAOYSA-N 2 1 355.551 3.612 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000189016380 941535356 /nfs/dbraw/zinc/53/53/56/941535356.db2.gz LKSPXDPWCPLNEA-IQWMQGJTSA-N 2 1 355.570 3.672 20 0 FHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041650 941561388 /nfs/dbraw/zinc/56/13/88/941561388.db2.gz LNLBRTAGGFJQQY-JKSUJKDBSA-N 2 1 372.431 3.600 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415043076 941561836 /nfs/dbraw/zinc/56/18/36/941561836.db2.gz ABYACFOGWHKBTN-RZFNWQHOSA-N 2 1 351.538 3.892 20 0 FHADMP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415078221 941587827 /nfs/dbraw/zinc/58/78/27/941587827.db2.gz GDPWLERIOZRVNX-VXKWHMMOSA-N 2 1 360.505 3.557 20 0 FHADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415078273 941587950 /nfs/dbraw/zinc/58/79/50/941587950.db2.gz GHOFUZHCDVKFPZ-SFTDATJTSA-N 2 1 365.521 3.747 20 0 FHADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415073987 941589775 /nfs/dbraw/zinc/58/97/75/941589775.db2.gz BPSOBAQWDPJYFV-ZWNOBZJWSA-N 2 1 363.246 3.671 20 0 FHADMP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)cc1 ZINC000415083443 941592807 /nfs/dbraw/zinc/59/28/07/941592807.db2.gz FKMFORHEOKLMNO-RPWUZVMVSA-N 3 1 363.549 3.982 20 0 FHADMP COc1cccc(C([NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c2cccc(OC)c2)c1 ZINC000415090955 941601586 /nfs/dbraw/zinc/60/15/86/941601586.db2.gz ZYKFBHBUVFGNGW-LPHOPBHVSA-N 2 1 354.494 3.913 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000415124386 941619575 /nfs/dbraw/zinc/61/95/75/941619575.db2.gz MPNOTVMZVWXKJC-IAGOWNOFSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 ZINC000415123619 941620011 /nfs/dbraw/zinc/62/00/11/941620011.db2.gz LNFAXJZHVDCBQT-RHSMWYFYSA-N 2 1 360.395 3.563 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1SC ZINC000377296651 941625620 /nfs/dbraw/zinc/62/56/20/941625620.db2.gz GGRBUILDNZWFQV-PXNSSMCTSA-N 2 1 357.523 3.595 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1SC ZINC000377296651 941625627 /nfs/dbraw/zinc/62/56/27/941625627.db2.gz GGRBUILDNZWFQV-PXNSSMCTSA-N 2 1 357.523 3.595 20 0 FHADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404233 941697991 /nfs/dbraw/zinc/69/79/91/941697991.db2.gz PMBPOKWZSZNWHW-PZJWPPBQSA-N 2 1 374.550 3.694 20 0 FHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000549247598 941741127 /nfs/dbraw/zinc/74/11/27/941741127.db2.gz WCZGJGGITKNTDO-KDURUIRLSA-N 2 1 354.542 3.853 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195424 941770817 /nfs/dbraw/zinc/77/08/17/941770817.db2.gz BMUJZUCYAOTIFA-GOSISDBHSA-N 2 1 367.415 3.592 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)cn1 ZINC000377622890 941853260 /nfs/dbraw/zinc/85/32/60/941853260.db2.gz JEPATWPDKCHVIU-UHFFFAOYSA-N 2 1 354.404 3.890 20 0 FHADMP CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286055 941876371 /nfs/dbraw/zinc/87/63/71/941876371.db2.gz FXENBHDYOHXGLV-GJZGRUSLSA-N 2 1 371.447 3.887 20 0 FHADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2cccnc2)nc1 ZINC000513389163 941886487 /nfs/dbraw/zinc/88/64/87/941886487.db2.gz RQIFXCHPEZZNPM-QFIPXVFZSA-N 2 1 350.510 3.757 20 0 FHADMP CCc1ccc([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392885 941888368 /nfs/dbraw/zinc/88/83/68/941888368.db2.gz ZFSODDRAQKLJME-QHCPKHFHSA-N 2 1 357.586 3.845 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469150 941945596 /nfs/dbraw/zinc/94/55/96/941945596.db2.gz NHEJLLSSWJAISG-CVDCTZTESA-N 3 1 351.538 3.891 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469150 941945602 /nfs/dbraw/zinc/94/56/02/941945602.db2.gz NHEJLLSSWJAISG-CVDCTZTESA-N 3 1 351.538 3.891 20 0 FHADMP Cc1[nH]nc2ncc(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513495241 941962532 /nfs/dbraw/zinc/96/25/32/941962532.db2.gz NEXKQICVYQHTKM-VQIMIIECSA-N 2 1 363.509 3.657 20 0 FHADMP CCC[N@H+](CCc1scnc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000377776802 941977487 /nfs/dbraw/zinc/97/74/87/941977487.db2.gz IFZPYJGCBSEZMI-UHFFFAOYSA-N 2 1 373.570 3.782 20 0 FHADMP CCC[N@@H+](CCc1scnc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000377776802 941977491 /nfs/dbraw/zinc/97/74/91/941977491.db2.gz IFZPYJGCBSEZMI-UHFFFAOYSA-N 2 1 373.570 3.782 20 0 FHADMP Cc1ccc(-c2ccc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)o2)cc1 ZINC000513536367 942003047 /nfs/dbraw/zinc/00/30/47/942003047.db2.gz JDPAIWFJMNCRIU-SFHVURJKSA-N 2 1 356.510 3.780 20 0 FHADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000377809169 942005205 /nfs/dbraw/zinc/00/52/05/942005205.db2.gz MEJDLHAIECCKBZ-IBGZPJMESA-N 2 1 354.498 3.545 20 0 FHADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1O ZINC000513546693 942006365 /nfs/dbraw/zinc/00/63/65/942006365.db2.gz ZMLJNISPGPYCFK-FXAWDEMLSA-N 2 1 354.494 3.791 20 0 FHADMP C[NH+](C)CCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000237101036 942102892 /nfs/dbraw/zinc/10/28/92/942102892.db2.gz DJXKQUNFXDBFGJ-ZDUSSCGKSA-N 2 1 358.326 3.600 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000415917250 942141326 /nfs/dbraw/zinc/14/13/26/942141326.db2.gz IRVBIFUZRJQSHE-FQEVSTJZSA-N 2 1 358.530 3.572 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415910986 942144716 /nfs/dbraw/zinc/14/47/16/942144716.db2.gz IRNANLLHXUXNHX-ROUUACIJSA-N 2 1 366.509 3.533 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415926944 942163747 /nfs/dbraw/zinc/16/37/47/942163747.db2.gz BZLXYIHMUIUMAK-ROUUACIJSA-N 2 1 366.509 3.533 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415945614 942179661 /nfs/dbraw/zinc/17/96/61/942179661.db2.gz RSDHZUCSIHYLCI-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000415954872 942195993 /nfs/dbraw/zinc/19/59/93/942195993.db2.gz HDKTYKUZPUJRLN-OALUTQOASA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000415954872 942195996 /nfs/dbraw/zinc/19/59/96/942195996.db2.gz HDKTYKUZPUJRLN-OALUTQOASA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000415960865 942199496 /nfs/dbraw/zinc/19/94/96/942199496.db2.gz OFEWRYLOBAANRF-QFIPXVFZSA-N 2 1 366.509 3.582 20 0 FHADMP Cc1noc(C)c1C[NH+](CCCC1CC[NH2+]CC1)Cc1c(C)noc1C ZINC000647886656 942220320 /nfs/dbraw/zinc/22/03/20/942220320.db2.gz GBGQDIJDXJSEDC-UHFFFAOYSA-N 2 1 360.502 3.678 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000416003210 942245065 /nfs/dbraw/zinc/24/50/65/942245065.db2.gz FACOBTIGCLXPSF-OALUTQOASA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000416003210 942245070 /nfs/dbraw/zinc/24/50/70/942245070.db2.gz FACOBTIGCLXPSF-OALUTQOASA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000416003209 942245090 /nfs/dbraw/zinc/24/50/90/942245090.db2.gz FACOBTIGCLXPSF-MOPGFXCFSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000416003209 942245096 /nfs/dbraw/zinc/24/50/96/942245096.db2.gz FACOBTIGCLXPSF-MOPGFXCFSA-N 2 1 372.900 3.626 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933626 942261725 /nfs/dbraw/zinc/26/17/25/942261725.db2.gz WKJWEYSUAYDHEG-JOCHJYFZSA-N 2 1 361.549 3.639 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051742 942276995 /nfs/dbraw/zinc/27/69/95/942276995.db2.gz FSOWDSOWWPALEJ-HXUWFJFHSA-N 2 1 361.549 3.811 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C[C@H](C)O1 ZINC000502273551 942324770 /nfs/dbraw/zinc/32/47/70/942324770.db2.gz KXGVBSAAUVTGQM-XQBPLPMBSA-N 2 1 372.553 3.735 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148229 942398342 /nfs/dbraw/zinc/39/83/42/942398342.db2.gz ZLRQJVYWESGIDG-YHELAOLJSA-N 2 1 357.542 3.543 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168459 942436138 /nfs/dbraw/zinc/43/61/38/942436138.db2.gz YFYXLVQLYHFLFK-KCZVDYSFSA-N 2 1 371.569 3.792 20 0 FHADMP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513713231 942447230 /nfs/dbraw/zinc/44/72/30/942447230.db2.gz MMNOSDOEEFSGIU-IPMKNSEASA-N 2 1 370.459 3.846 20 0 FHADMP c1cncc([C@H]2CCC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000501441393 942479682 /nfs/dbraw/zinc/47/96/82/942479682.db2.gz GIMOXYUAIJVPAA-JTHBVZDNSA-N 2 1 365.521 3.730 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000421363607 942515024 /nfs/dbraw/zinc/51/50/24/942515024.db2.gz QGIFDCPHJHNBCU-RDJZCZTQSA-N 2 1 370.497 3.518 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000421370369 942521846 /nfs/dbraw/zinc/52/18/46/942521846.db2.gz ILVZJWDQFAXNQT-QHCPKHFHSA-N 2 1 357.586 3.918 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000501534692 942535476 /nfs/dbraw/zinc/53/54/76/942535476.db2.gz UZBMOHJIFUUSGS-MOPGFXCFSA-N 2 1 374.573 3.591 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000237075179 942577577 /nfs/dbraw/zinc/57/75/77/942577577.db2.gz VYTJSYMJJPBVQK-IBGZPJMESA-N 2 1 360.505 3.971 20 0 FHADMP C[C@@](C[NH3+])([NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC1 ZINC000420282097 942603463 /nfs/dbraw/zinc/60/34/63/942603463.db2.gz APPIJVMFSUDHSE-SFHVURJKSA-N 2 1 360.914 3.933 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305875 942612791 /nfs/dbraw/zinc/61/27/91/942612791.db2.gz GXPBGIDFRVAVPZ-OXQOHEQNSA-N 2 1 355.457 3.566 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000420309488 942613745 /nfs/dbraw/zinc/61/37/45/942613745.db2.gz TZEVGXZHICWIEU-QGZVFWFLSA-N 2 1 360.523 3.600 20 0 FHADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420315416 942617777 /nfs/dbraw/zinc/61/77/77/942617777.db2.gz MDUSUITVRZEMOU-GOSISDBHSA-N 2 1 360.914 3.887 20 0 FHADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420315416 942617781 /nfs/dbraw/zinc/61/77/81/942617781.db2.gz MDUSUITVRZEMOU-GOSISDBHSA-N 2 1 360.914 3.887 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000420316454 942619116 /nfs/dbraw/zinc/61/91/16/942619116.db2.gz YECXVXLDWXIXOG-ZYSHUDEJSA-N 2 1 363.461 3.673 20 0 FHADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCCC1 ZINC000420361598 942638741 /nfs/dbraw/zinc/63/87/41/942638741.db2.gz ICHDWRAIZZTCLZ-OAQYLSRUSA-N 2 1 351.494 3.936 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377972 942646433 /nfs/dbraw/zinc/64/64/33/942646433.db2.gz AUYQRAZDUVQXGK-BBRMVZONSA-N 2 1 370.324 3.786 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000502692339 942650345 /nfs/dbraw/zinc/65/03/45/942650345.db2.gz BOOSMDPNJUQLID-INIZCTEOSA-N 2 1 356.514 3.578 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000502692339 942650347 /nfs/dbraw/zinc/65/03/47/942650347.db2.gz BOOSMDPNJUQLID-INIZCTEOSA-N 2 1 356.514 3.578 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405573 942662750 /nfs/dbraw/zinc/66/27/50/942662750.db2.gz TYOAIQHPKYIMKS-RBBKRZOGSA-N 2 1 363.505 3.903 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000514005811 942680437 /nfs/dbraw/zinc/68/04/37/942680437.db2.gz SHHCICOBXWMTBH-OXQOHEQNSA-N 2 1 368.949 3.583 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421836263 942839342 /nfs/dbraw/zinc/83/93/42/942839342.db2.gz GQKJBXSBIJFILW-QAPCUYQASA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421836263 942839349 /nfs/dbraw/zinc/83/93/49/942839349.db2.gz GQKJBXSBIJFILW-QAPCUYQASA-N 2 1 359.901 3.543 20 0 FHADMP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCCC1 ZINC000421836711 942840319 /nfs/dbraw/zinc/84/03/19/942840319.db2.gz RKDKDENPAUCWRA-GOSISDBHSA-N 2 1 363.546 3.831 20 0 FHADMP Cc1ccc2c(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248353 942849350 /nfs/dbraw/zinc/84/93/50/942849350.db2.gz ORKPNTZSHUCPOE-WMZOPIPTSA-N 2 1 353.510 3.991 20 0 FHADMP Cc1ccc(C(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434689222 942866437 /nfs/dbraw/zinc/86/64/37/942866437.db2.gz VGHNCRXAFBRHRO-UHFFFAOYSA-N 2 1 351.494 3.980 20 0 FHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425154068 942880355 /nfs/dbraw/zinc/88/03/55/942880355.db2.gz GSXRAVIKRWSQPY-UXHICEINSA-N 2 1 368.525 3.703 20 0 FHADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000414854283 942969618 /nfs/dbraw/zinc/96/96/18/942969618.db2.gz ZDFGROYVERGOMV-SFHVURJKSA-N 2 1 372.582 3.823 20 0 FHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000503122648 942989300 /nfs/dbraw/zinc/98/93/00/942989300.db2.gz ZXBVIWDXDITVEC-OALUTQOASA-N 2 1 374.573 3.680 20 0 FHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000503197937 943047661 /nfs/dbraw/zinc/04/76/61/943047661.db2.gz JTFKGYIMAPPQMT-KPFFTGBYSA-N 2 1 366.571 3.641 20 0 FHADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000414652242 943103375 /nfs/dbraw/zinc/10/33/75/943103375.db2.gz GUKRJVVDTTWLJR-FQEVSTJZSA-N 2 1 360.505 3.687 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272281186 943128441 /nfs/dbraw/zinc/12/84/41/943128441.db2.gz ADKXGSGLOZPSCO-WERVVEIQSA-N 2 1 350.510 3.583 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272381943 943146801 /nfs/dbraw/zinc/14/68/01/943146801.db2.gz BZCQXFGIUIVYBF-UTKZUKDTSA-N 2 1 351.494 3.645 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668701 943169693 /nfs/dbraw/zinc/16/96/93/943169693.db2.gz ZBJRQNPNNUZIMY-HIFRSBDPSA-N 2 1 360.420 3.586 20 0 FHADMP FC(F)(F)CC[NH+]1CCC(NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000272699033 943204084 /nfs/dbraw/zinc/20/40/84/943204084.db2.gz SSWFFPBLIGMBFU-LJQANCHMSA-N 2 1 369.475 3.830 20 0 FHADMP FC(F)(F)CCN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000272707373 943207116 /nfs/dbraw/zinc/20/71/16/943207116.db2.gz WONBXOXINHUVQK-UHFFFAOYSA-N 2 1 369.475 3.657 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706305 943241288 /nfs/dbraw/zinc/24/12/88/943241288.db2.gz DVCNVFGHVMSHEO-VGOFRKELSA-N 2 1 365.521 3.863 20 0 FHADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713378 943254298 /nfs/dbraw/zinc/25/42/98/943254298.db2.gz JOIXIEWTJPORLM-CWBXHPNXSA-N 2 1 373.585 3.596 20 0 FHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422716333 943255603 /nfs/dbraw/zinc/25/56/03/943255603.db2.gz UGMFFAMFYJGLJM-VQTJNVASSA-N 2 1 355.457 3.828 20 0 FHADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757808 943262208 /nfs/dbraw/zinc/26/22/08/943262208.db2.gz MZBYGCNZSDKACO-GPJHCHHRSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755478 943273870 /nfs/dbraw/zinc/27/38/70/943273870.db2.gz HYVXVFVGZOFTEB-KQZHTCIUSA-N 2 1 371.569 3.588 20 0 FHADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755478 943273873 /nfs/dbraw/zinc/27/38/73/943273873.db2.gz HYVXVFVGZOFTEB-KQZHTCIUSA-N 2 1 371.569 3.588 20 0 FHADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832151 943298896 /nfs/dbraw/zinc/29/88/96/943298896.db2.gz URMZCZVZZUHNTM-LAUBAEHRSA-N 2 1 357.567 3.508 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832698 943299454 /nfs/dbraw/zinc/29/94/54/943299454.db2.gz VIXSASJHYQGAGW-VCOUNFBDSA-N 2 1 359.558 3.588 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818461 943303463 /nfs/dbraw/zinc/30/34/63/943303463.db2.gz GEMQWVYTIXYLOP-JTHBVZDNSA-N 3 1 369.553 3.629 20 0 FHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887558 943319066 /nfs/dbraw/zinc/31/90/66/943319066.db2.gz BGGJFWMLBSNJGX-PMACEKPBSA-N 2 1 355.457 3.828 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414702360 943325778 /nfs/dbraw/zinc/32/57/78/943325778.db2.gz BBHSNZGCYDGELT-HKUYNNGSSA-N 2 1 370.541 3.524 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@](C)(C[NH3+])C1CC1)C1CCCCC1 ZINC000414703613 943331629 /nfs/dbraw/zinc/33/16/29/943331629.db2.gz CNCPONRAMBCKIF-OAQYLSRUSA-N 2 1 358.530 3.700 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422922728 943332908 /nfs/dbraw/zinc/33/29/08/943332908.db2.gz UFLCATWEQYJEDE-MEBBXXQBSA-N 2 1 352.265 3.940 20 0 FHADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154114 943341384 /nfs/dbraw/zinc/34/13/84/943341384.db2.gz IZCOHVOFJXGVKP-JVSAHFFESA-N 2 1 355.570 3.528 20 0 FHADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414707448 943343413 /nfs/dbraw/zinc/34/34/13/943343413.db2.gz HYWGIIMEPVEKLH-DLBZAZTESA-N 2 1 358.530 3.665 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422953992 943347988 /nfs/dbraw/zinc/34/79/88/943347988.db2.gz GUJKKSKUFFYPEM-YOEHRIQHSA-N 2 1 352.400 3.632 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)C[C@H](C)O1 ZINC000422958867 943350083 /nfs/dbraw/zinc/35/00/83/943350083.db2.gz ZDPHSYDNJMGGIO-MPMRWZLSSA-N 2 1 357.542 3.628 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872433 943351955 /nfs/dbraw/zinc/35/19/55/943351955.db2.gz ZYMWTSJFTZDQCM-PZJWPPBQSA-N 2 1 371.569 3.517 20 0 FHADMP C[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000435374470 943355997 /nfs/dbraw/zinc/35/59/97/943355997.db2.gz XLTYWECLKWYMKQ-UHFFFAOYSA-N 2 1 357.885 3.776 20 0 FHADMP C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000435374470 943356001 /nfs/dbraw/zinc/35/60/01/943356001.db2.gz XLTYWECLKWYMKQ-UHFFFAOYSA-N 2 1 357.885 3.776 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(Br)cc1Oc1ccccc1)C1C[NH2+]C1 ZINC000422979335 943356769 /nfs/dbraw/zinc/35/67/69/943356769.db2.gz JIRJRFRERJGIIW-ZDUSSCGKSA-N 2 1 361.283 3.939 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435377513 943357758 /nfs/dbraw/zinc/35/77/58/943357758.db2.gz CLGGBDJACHRUGO-SFHVURJKSA-N 2 1 366.534 3.701 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435377513 943357767 /nfs/dbraw/zinc/35/77/67/943357767.db2.gz CLGGBDJACHRUGO-SFHVURJKSA-N 2 1 366.534 3.701 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1cccs1 ZINC000435378122 943366749 /nfs/dbraw/zinc/36/67/49/943366749.db2.gz CCJIJXCSCRHHAG-RYQLBKOJSA-N 2 1 358.507 3.505 20 0 FHADMP CC[N@@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]CC1 ZINC000435387033 943374675 /nfs/dbraw/zinc/37/46/75/943374675.db2.gz WKCVDVFUVKIFFX-OAHLLOKOSA-N 2 1 362.315 3.961 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423066153 943380251 /nfs/dbraw/zinc/38/02/51/943380251.db2.gz WEQWPRRJPUUIGG-FOIQADDNSA-N 2 1 355.913 3.922 20 0 FHADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(Cl)c1F ZINC000423049751 943383990 /nfs/dbraw/zinc/38/39/90/943383990.db2.gz KRXWAIQWOOYVRU-IAOVAPTHSA-N 2 1 354.897 3.503 20 0 FHADMP COc1cccc(Cl)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423076637 943385706 /nfs/dbraw/zinc/38/57/06/943385706.db2.gz ZOBNTTDZJJRBKV-FXAWDEMLSA-N 2 1 358.869 3.694 20 0 FHADMP COc1cc(F)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000514944743 943395397 /nfs/dbraw/zinc/39/53/97/943395397.db2.gz PPBSEPMJLKYHBG-FUHWJXTLSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(F)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000514944743 943395400 /nfs/dbraw/zinc/39/54/00/943395400.db2.gz PPBSEPMJLKYHBG-FUHWJXTLSA-N 2 1 372.484 3.843 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423125129 943398698 /nfs/dbraw/zinc/39/86/98/943398698.db2.gz HTEWEHRAABTVBY-CEMLEFRQSA-N 2 1 354.469 3.739 20 0 FHADMP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423107694 943403594 /nfs/dbraw/zinc/40/35/94/943403594.db2.gz QANYTWARTQTUAV-MORSLUCNSA-N 2 1 356.432 3.903 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000584691164 943411485 /nfs/dbraw/zinc/41/14/85/943411485.db2.gz UMTDCMMPWHVSSM-NQIIRXRSSA-N 2 1 357.542 3.617 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423135169 943415184 /nfs/dbraw/zinc/41/51/84/943415184.db2.gz FHQAIDYLRZFSQX-ZTCOLXNVSA-N 2 1 365.565 3.837 20 0 FHADMP CC1CC[NH+](CCC[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208313 943431679 /nfs/dbraw/zinc/43/16/79/943431679.db2.gz HQTWMMCEWKTHNW-SIKLNZKXSA-N 2 1 361.549 3.968 20 0 FHADMP Clc1ccccc1C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H]1CCCO1 ZINC000423188272 943435189 /nfs/dbraw/zinc/43/51/89/943435189.db2.gz NIHFNWDNWFNOEP-SFTDATJTSA-N 2 1 373.928 3.595 20 0 FHADMP C[C@H](CC[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000514991122 943437529 /nfs/dbraw/zinc/43/75/29/943437529.db2.gz BOVOVAGUDIBNEW-UYAOXDASSA-N 2 1 357.567 3.820 20 0 FHADMP C[C@@H](CC[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000514991118 943437779 /nfs/dbraw/zinc/43/77/79/943437779.db2.gz BOVOVAGUDIBNEW-ICSRJNTNSA-N 2 1 357.567 3.820 20 0 FHADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417216058 943443297 /nfs/dbraw/zinc/44/32/97/943443297.db2.gz JDBYNDQRJGCHRM-GOSISDBHSA-N 2 1 374.573 3.768 20 0 FHADMP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893297135 943447659 /nfs/dbraw/zinc/44/76/59/943447659.db2.gz JQWJXOARBSMZKO-XWIXUBGPSA-N 2 1 367.331 3.740 20 0 FHADMP CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232025 943453602 /nfs/dbraw/zinc/45/36/02/943453602.db2.gz BSZBKHIVCIVXFR-MQSCRBSSSA-N 2 1 365.521 3.655 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000423327901 943481366 /nfs/dbraw/zinc/48/13/66/943481366.db2.gz KPFTZOXQRQMENB-SQMBMXPBSA-N 2 1 365.521 3.852 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000515063753 943482433 /nfs/dbraw/zinc/48/24/33/943482433.db2.gz ZJJQNGJUMVSYEZ-UXHICEINSA-N 2 1 360.505 3.823 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C1 ZINC000584723609 943490770 /nfs/dbraw/zinc/49/07/70/943490770.db2.gz ZWLPQGBPMDLRAM-HKUYNNGSSA-N 2 1 363.571 3.909 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423374936 943503871 /nfs/dbraw/zinc/50/38/71/943503871.db2.gz UCVQERQJLOIBPJ-GWCFXTLKSA-N 2 1 366.328 3.887 20 0 FHADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C(C)C)c(Br)c1 ZINC000423407897 943509202 /nfs/dbraw/zinc/50/92/02/943509202.db2.gz WMOUGRWKVTXMML-AFAVFJNCSA-N 2 1 355.320 3.742 20 0 FHADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000423446849 943513000 /nfs/dbraw/zinc/51/30/00/943513000.db2.gz ZFXSIQTUUSKQQL-UZGDPCLZSA-N 2 1 363.221 3.726 20 0 FHADMP CSc1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613873 943515631 /nfs/dbraw/zinc/51/56/31/943515631.db2.gz CGISASRUYLFDNO-LJQANCHMSA-N 2 1 371.550 3.827 20 0 FHADMP CSc1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613873 943515635 /nfs/dbraw/zinc/51/56/35/943515635.db2.gz CGISASRUYLFDNO-LJQANCHMSA-N 2 1 371.550 3.827 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1nc2ccccc2n1C ZINC000423461346 943522677 /nfs/dbraw/zinc/52/26/77/943522677.db2.gz CDCZNPVLQWPAGH-HHXXYDBFSA-N 2 1 366.484 3.756 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624176 943526051 /nfs/dbraw/zinc/52/60/51/943526051.db2.gz WVNWPFJFGPLASW-LJQANCHMSA-N 2 1 351.494 3.756 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1csc(-c2ccccc2)n1 ZINC000423500372 943529775 /nfs/dbraw/zinc/52/97/75/943529775.db2.gz ACUBQPWEJOEEAU-IPJUCJBFSA-N 2 1 370.566 3.677 20 0 FHADMP CC(C)COc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423502512 943530430 /nfs/dbraw/zinc/53/04/30/943530430.db2.gz FCEGKURVUBWYDM-KMFTYDHNSA-N 2 1 359.558 3.588 20 0 FHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423505670 943531612 /nfs/dbraw/zinc/53/16/12/943531612.db2.gz ORLDERHMNZHBJA-QSFXBCCZSA-N 2 1 364.505 3.942 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496109 943537819 /nfs/dbraw/zinc/53/78/19/943537819.db2.gz DFUOXKXZQMKPIC-JTSKRJEESA-N 2 1 355.526 3.540 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528439 943538598 /nfs/dbraw/zinc/53/85/98/943538598.db2.gz ODMAFCJXLNWHNH-WGDAXPMKSA-N 2 1 353.554 3.565 20 0 FHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528439 943538600 /nfs/dbraw/zinc/53/86/00/943538600.db2.gz ODMAFCJXLNWHNH-WGDAXPMKSA-N 2 1 353.554 3.565 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423538023 943550916 /nfs/dbraw/zinc/55/09/16/943550916.db2.gz LVOFVCXVRUAQLU-RJGXRXQPSA-N 3 1 353.554 3.577 20 0 FHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000515205274 943567010 /nfs/dbraw/zinc/56/70/10/943567010.db2.gz ZLHWRBIZQHYGSK-ROUUACIJSA-N 2 1 372.619 3.611 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CCCC2 ZINC000515208170 943567420 /nfs/dbraw/zinc/56/74/20/943567420.db2.gz RKIRSDGXOGOABX-FKBYEOEOSA-N 2 1 364.537 3.752 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CCCC2 ZINC000515208170 943567425 /nfs/dbraw/zinc/56/74/25/943567425.db2.gz RKIRSDGXOGOABX-FKBYEOEOSA-N 2 1 364.537 3.752 20 0 FHADMP COc1cccc(CCC[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435736228 943589143 /nfs/dbraw/zinc/58/91/43/943589143.db2.gz VFQJZFLZXCTZLJ-SFHVURJKSA-N 2 1 359.539 3.504 20 0 FHADMP CSc1ccc(CC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000435738762 943590159 /nfs/dbraw/zinc/59/01/59/943590159.db2.gz UHIHMJZKVCFGNZ-UHFFFAOYSA-N 2 1 361.580 3.964 20 0 FHADMP CSc1ccc(CC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000435738762 943590162 /nfs/dbraw/zinc/59/01/62/943590162.db2.gz UHIHMJZKVCFGNZ-UHFFFAOYSA-N 2 1 361.580 3.964 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000515239409 943590821 /nfs/dbraw/zinc/59/08/21/943590821.db2.gz DYKNEPLCKAMILB-QHAWAJNXSA-N 2 1 355.526 3.778 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962254 943649943 /nfs/dbraw/zinc/64/99/43/943649943.db2.gz DQZDCPILNWALBD-SFTDATJTSA-N 2 1 357.542 3.521 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)cc1 ZINC000516887248 943797052 /nfs/dbraw/zinc/79/70/52/943797052.db2.gz SYOLETJZULGOKM-CYBMUJFWSA-N 2 1 370.403 3.748 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1c(-c3ccccc3)nc3ccccn31)CC[NH2+]CC2 ZINC000424289641 943820300 /nfs/dbraw/zinc/82/03/00/943820300.db2.gz MFOZGQFZCXGPFF-GOSISDBHSA-N 2 1 360.505 3.965 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424302498 943822455 /nfs/dbraw/zinc/82/24/55/943822455.db2.gz ZRGWYJZJMJWFSS-OAHLLOKOSA-N 2 1 357.523 3.783 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873185 943838136 /nfs/dbraw/zinc/83/81/36/943838136.db2.gz ULQYIEVLGQMBMO-QUCCMNQESA-N 2 1 357.542 3.593 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873185 943838142 /nfs/dbraw/zinc/83/81/42/943838142.db2.gz ULQYIEVLGQMBMO-QUCCMNQESA-N 2 1 357.542 3.593 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873185 943838146 /nfs/dbraw/zinc/83/81/46/943838146.db2.gz ULQYIEVLGQMBMO-QUCCMNQESA-N 2 1 357.542 3.593 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975151 943876237 /nfs/dbraw/zinc/87/62/37/943876237.db2.gz OYADMLQKNDEKIC-WMZHIEFXSA-N 2 1 351.538 3.891 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975151 943876253 /nfs/dbraw/zinc/87/62/53/943876253.db2.gz OYADMLQKNDEKIC-WMZHIEFXSA-N 2 1 351.538 3.891 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975152 943876415 /nfs/dbraw/zinc/87/64/15/943876415.db2.gz OYADMLQKNDEKIC-XXBNENTESA-N 2 1 351.538 3.891 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975152 943876425 /nfs/dbraw/zinc/87/64/25/943876425.db2.gz OYADMLQKNDEKIC-XXBNENTESA-N 2 1 351.538 3.891 20 0 FHADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000516964577 943884827 /nfs/dbraw/zinc/88/48/27/943884827.db2.gz WGFAFTJBZDVYJJ-FUHWJXTLSA-N 2 1 352.494 3.812 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N(C)c3ccccc3)nc1)CC[NH2+]CC2 ZINC000424375076 943886160 /nfs/dbraw/zinc/88/61/60/943886160.db2.gz JHHZKNPQNVGHPB-GOSISDBHSA-N 2 1 350.510 3.814 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1OCc1cccnc1)CC[NH2+]CC2 ZINC000424386472 943894498 /nfs/dbraw/zinc/89/44/98/943894498.db2.gz XDJPJRFJRQMOMJ-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414786151 943905641 /nfs/dbraw/zinc/90/56/41/943905641.db2.gz UEPDFOZYRBBYOB-PMACEKPBSA-N 2 1 350.510 3.671 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425432574 943906948 /nfs/dbraw/zinc/90/69/48/943906948.db2.gz KYHMQJRNRZLCFX-HKUYNNGSSA-N 2 1 350.510 3.886 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425432574 943906951 /nfs/dbraw/zinc/90/69/51/943906951.db2.gz KYHMQJRNRZLCFX-HKUYNNGSSA-N 2 1 350.510 3.886 20 0 FHADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001207486012 943915350 /nfs/dbraw/zinc/91/53/50/943915350.db2.gz AYZNKZUKTMTRRC-KRWDZBQOSA-N 2 1 351.332 3.970 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000424428879 943923044 /nfs/dbraw/zinc/92/30/44/943923044.db2.gz VHJFLYPAYMPWQB-NRFANRHFSA-N 2 1 368.525 3.732 20 0 FHADMP COc1ccc([C@H](C)C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000414877038 943969462 /nfs/dbraw/zinc/96/94/62/943969462.db2.gz FHGRKPMOSBTWLV-HVETUWLQSA-N 2 1 354.494 3.543 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1cc(C)cc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000436057583 943979059 /nfs/dbraw/zinc/97/90/59/943979059.db2.gz YLENBIUDCNDKQG-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1cc(C)cc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000436057583 943979061 /nfs/dbraw/zinc/97/90/61/943979061.db2.gz YLENBIUDCNDKQG-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417973410 944027239 /nfs/dbraw/zinc/02/72/39/944027239.db2.gz CKXMJXQAGWVKQA-VABKMULXSA-N 2 1 350.506 3.537 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)CC23CC3)cc1 ZINC000517144105 944042524 /nfs/dbraw/zinc/04/25/24/944042524.db2.gz GUSOZYOCLKLCAM-NRFANRHFSA-N 2 1 362.521 3.683 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)CC23CC3)cc1 ZINC000517144105 944042533 /nfs/dbraw/zinc/04/25/33/944042533.db2.gz GUSOZYOCLKLCAM-NRFANRHFSA-N 2 1 362.521 3.683 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000517145184 944043876 /nfs/dbraw/zinc/04/38/76/944043876.db2.gz WGZNQFRULHQKJC-FQEVSTJZSA-N 2 1 364.489 3.745 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000517145184 944043887 /nfs/dbraw/zinc/04/38/87/944043887.db2.gz WGZNQFRULHQKJC-FQEVSTJZSA-N 2 1 364.489 3.745 20 0 FHADMP Fc1cccc2[nH]c(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc21 ZINC000436239119 944126352 /nfs/dbraw/zinc/12/63/52/944126352.db2.gz LGNOASXITKWBCY-GOSISDBHSA-N 2 1 351.469 3.961 20 0 FHADMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364249680 944154247 /nfs/dbraw/zinc/15/42/47/944154247.db2.gz HMJNACQWGKEKIW-XLIONFOSSA-N 2 1 368.529 3.563 20 0 FHADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000191473724 944184466 /nfs/dbraw/zinc/18/44/66/944184466.db2.gz KOEVHRPSBOGTSD-UHFFFAOYSA-N 2 1 356.514 3.920 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000191473724 944184473 /nfs/dbraw/zinc/18/44/73/944184473.db2.gz KOEVHRPSBOGTSD-UHFFFAOYSA-N 2 1 356.514 3.920 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515756407 944184933 /nfs/dbraw/zinc/18/49/33/944184933.db2.gz BTIVLBJNHGLOOT-ZWKOTPCHSA-N 2 1 359.558 3.844 20 0 FHADMP C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCC[NH2+]C1 ZINC000414916494 944192803 /nfs/dbraw/zinc/19/28/03/944192803.db2.gz PRGRRBCAKYRXOS-HXUWFJFHSA-N 2 1 359.901 3.793 20 0 FHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568146 944267526 /nfs/dbraw/zinc/26/75/26/944267526.db2.gz ZJOPEQJSIUCQEZ-MSRNWOCLSA-N 2 1 365.562 3.581 20 0 FHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)C1CCCC1 ZINC001167975162 944273955 /nfs/dbraw/zinc/27/39/55/944273955.db2.gz JRSDEAUFGYWHJT-BSWHZDNUSA-N 2 1 373.585 3.599 20 0 FHADMP FC(F)(F)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167960760 944282439 /nfs/dbraw/zinc/28/24/39/944282439.db2.gz BTHHFEAURIBXMX-ALOPSCKCSA-N 2 1 353.432 3.638 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1)C(C)C ZINC000101629136 944286191 /nfs/dbraw/zinc/28/61/91/944286191.db2.gz VHEDXLAKRJXXBS-UHFFFAOYSA-N 2 1 367.537 3.909 20 0 FHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506475102 944287678 /nfs/dbraw/zinc/28/76/78/944287678.db2.gz SFNWXMYQYQWEOZ-XSDIEEQYSA-N 2 1 363.590 3.752 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474440 944298707 /nfs/dbraw/zinc/29/87/07/944298707.db2.gz MUHLMUUQLYZLFV-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474440 944298713 /nfs/dbraw/zinc/29/87/13/944298713.db2.gz MUHLMUUQLYZLFV-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474440 944298718 /nfs/dbraw/zinc/29/87/18/944298718.db2.gz MUHLMUUQLYZLFV-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474440 944298726 /nfs/dbraw/zinc/29/87/26/944298726.db2.gz MUHLMUUQLYZLFV-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP C[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438124135 944354229 /nfs/dbraw/zinc/35/42/29/944354229.db2.gz FKYXOESUFTYAES-HXUWFJFHSA-N 2 1 369.528 3.679 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1c[nH+]c2cccc(Br)n12 ZINC001167753207 944370803 /nfs/dbraw/zinc/37/08/03/944370803.db2.gz MMCCKFKMUGYQPE-CYBMUJFWSA-N 2 1 351.292 3.773 20 0 FHADMP Cn1nccc1CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838204 944401855 /nfs/dbraw/zinc/40/18/55/944401855.db2.gz RROYWSJVLAHVLR-JOCHJYFZSA-N 2 1 366.553 3.585 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301099 944413098 /nfs/dbraw/zinc/41/30/98/944413098.db2.gz LLSRIXJEMMBNNH-AEFFLSMTSA-N 2 1 358.555 3.704 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1 ZINC000426302209 944414569 /nfs/dbraw/zinc/41/45/69/944414569.db2.gz HMSFHIZBNMYOMW-MRXNPFEDSA-N 2 1 372.472 3.883 20 0 FHADMP O=C1OCCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167979135 944436310 /nfs/dbraw/zinc/43/63/10/944436310.db2.gz WFCHDVVJZRFRAT-VCSGRIEYSA-N 2 1 369.509 3.528 20 0 FHADMP [NH3+]C1(c2ccc(Cl)cc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978674 944444793 /nfs/dbraw/zinc/44/47/93/944444793.db2.gz QUVGFPMMRYKHKU-WCRBZPEASA-N 2 1 373.972 3.995 20 0 FHADMP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000390552979 944446299 /nfs/dbraw/zinc/44/62/99/944446299.db2.gz DVXOITURFOVLPB-OAQYLSRUSA-N 2 1 365.565 3.804 20 0 FHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000390552979 944446304 /nfs/dbraw/zinc/44/63/04/944446304.db2.gz DVXOITURFOVLPB-OAQYLSRUSA-N 2 1 365.565 3.804 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000518515388 944458174 /nfs/dbraw/zinc/45/81/74/944458174.db2.gz YOZZNWPSIMIQMC-SIKLNZKXSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000518515388 944458179 /nfs/dbraw/zinc/45/81/79/944458179.db2.gz YOZZNWPSIMIQMC-SIKLNZKXSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000518515388 944458184 /nfs/dbraw/zinc/45/81/84/944458184.db2.gz YOZZNWPSIMIQMC-SIKLNZKXSA-N 2 1 371.569 3.540 20 0 FHADMP Clc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167981814 944490417 /nfs/dbraw/zinc/49/04/17/944490417.db2.gz LLAKFSIGTXFTID-WCRBZPEASA-N 2 1 359.945 3.867 20 0 FHADMP Clc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167981814 944490425 /nfs/dbraw/zinc/49/04/25/944490425.db2.gz LLAKFSIGTXFTID-WCRBZPEASA-N 2 1 359.945 3.867 20 0 FHADMP CC(C)(C)OC(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167981813 944490520 /nfs/dbraw/zinc/49/05/20/944490520.db2.gz LJBQTYQQSKLHRH-YQQQUEKLSA-N 2 1 362.558 3.884 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577482 944497359 /nfs/dbraw/zinc/49/73/59/944497359.db2.gz CGALQUCBANIIHB-QYZOEREBSA-N 2 1 370.459 3.988 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577482 944497361 /nfs/dbraw/zinc/49/73/61/944497361.db2.gz CGALQUCBANIIHB-QYZOEREBSA-N 2 1 370.459 3.988 20 0 FHADMP CC(C)[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000517688942 944501082 /nfs/dbraw/zinc/50/10/82/944501082.db2.gz MOGNXLYJCYWETN-RXVVDRJESA-N 2 1 373.541 3.529 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694502 944553799 /nfs/dbraw/zinc/55/37/99/944553799.db2.gz JTPZGUIUDIFJFY-WEYGHZABSA-N 2 1 361.493 3.611 20 0 FHADMP COC(=O)CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982843 944562819 /nfs/dbraw/zinc/56/28/19/944562819.db2.gz CEVXVLAFWXKZPT-CBQGHPETSA-N 2 1 370.537 3.847 20 0 FHADMP COC(=O)CCC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982843 944562824 /nfs/dbraw/zinc/56/28/24/944562824.db2.gz CEVXVLAFWXKZPT-CBQGHPETSA-N 2 1 370.537 3.847 20 0 FHADMP COC(=O)CCC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982843 944562828 /nfs/dbraw/zinc/56/28/28/944562828.db2.gz CEVXVLAFWXKZPT-CBQGHPETSA-N 2 1 370.537 3.847 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201031 944572078 /nfs/dbraw/zinc/57/20/78/944572078.db2.gz PYXNWDOWVDYTKX-XZOQPEGZSA-N 2 1 355.570 3.705 20 0 FHADMP C[C@@H]1C[N@H+](CCC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000426392486 944639872 /nfs/dbraw/zinc/63/98/72/944639872.db2.gz AOCVHPHJABYPKI-HDICACEKSA-N 2 1 353.510 3.951 20 0 FHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390684505 944712648 /nfs/dbraw/zinc/71/26/48/944712648.db2.gz XHNBDLCGYSMFEP-LQCXBHPOSA-N 2 1 352.526 3.693 20 0 FHADMP CCC(CC)(CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000426416094 944728862 /nfs/dbraw/zinc/72/88/62/944728862.db2.gz GNYMUCUHEXHREU-XLIONFOSSA-N 2 1 357.542 3.639 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000438560522 944769675 /nfs/dbraw/zinc/76/96/75/944769675.db2.gz GKHUALWUXCZCEB-JOCHJYFZSA-N 2 1 365.521 3.784 20 0 FHADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000505925388 944899196 /nfs/dbraw/zinc/89/91/96/944899196.db2.gz SEQMEZBPWNHIEF-QHAWAJNXSA-N 2 1 363.590 3.610 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000414896041 944939394 /nfs/dbraw/zinc/93/93/94/944939394.db2.gz AULBEESEQQLNHA-QFBILLFUSA-N 2 1 369.513 3.646 20 0 FHADMP CCC(CC)(C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414897367 944973676 /nfs/dbraw/zinc/97/36/76/944973676.db2.gz DUFUYEWQYMBNRR-UHFFFAOYSA-N 2 1 357.502 3.694 20 0 FHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1OC(F)F ZINC000414950295 945011572 /nfs/dbraw/zinc/01/15/72/945011572.db2.gz OJABWWALYQSSJT-ZWNOBZJWSA-N 2 1 363.246 3.589 20 0 FHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000439844814 945023984 /nfs/dbraw/zinc/02/39/84/945023984.db2.gz WJPYWYGSOKGQJB-PZJWPPBQSA-N 2 1 361.574 3.508 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(OC)cc32)[C@@H](C)C1 ZINC000467353177 945051887 /nfs/dbraw/zinc/05/18/87/945051887.db2.gz IYSMJBZMKCUUEF-YSSFQJQWSA-N 2 1 364.505 3.548 20 0 FHADMP CC(C)c1ccc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516625030 945060293 /nfs/dbraw/zinc/06/02/93/945060293.db2.gz PFHNFHWHGKXSDW-UHFFFAOYSA-N 2 1 366.509 3.528 20 0 FHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440276884 945370042 /nfs/dbraw/zinc/37/00/42/945370042.db2.gz ODUWOBPAKWEREP-KNQAVFIVSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276884 945370049 /nfs/dbraw/zinc/37/00/49/945370049.db2.gz ODUWOBPAKWEREP-KNQAVFIVSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276884 945370060 /nfs/dbraw/zinc/37/00/60/945370060.db2.gz ODUWOBPAKWEREP-KNQAVFIVSA-N 2 1 369.553 3.516 20 0 FHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677258 945384618 /nfs/dbraw/zinc/38/46/18/945384618.db2.gz XVDARRINORIOQQ-UHFFFAOYSA-N 2 1 369.484 3.717 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000281057012 945512103 /nfs/dbraw/zinc/51/21/03/945512103.db2.gz RKIISADFHCQTLM-UHFFFAOYSA-N 2 1 358.526 3.705 20 0 FHADMP Fc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075457 945551206 /nfs/dbraw/zinc/55/12/06/945551206.db2.gz BLBVXKMPVMGJQH-ICSRJNTNSA-N 2 1 350.441 3.594 20 0 FHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187783829 945609417 /nfs/dbraw/zinc/60/94/17/945609417.db2.gz UBEFJFZBJVQQBU-YYDVJCTNSA-N 2 1 374.569 3.696 20 0 FHADMP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683805 /nfs/dbraw/zinc/68/38/05/945683805.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 2 1 363.496 3.703 20 0 FHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001279247259 945710169 /nfs/dbraw/zinc/71/01/69/945710169.db2.gz IXFVFQUXZDRVRU-UHFFFAOYSA-N 2 1 371.550 3.818 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440615690 945711312 /nfs/dbraw/zinc/71/13/12/945711312.db2.gz QJZSSQXTYLZLOA-UOIKSKOESA-N 2 1 366.431 3.675 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440615690 945711323 /nfs/dbraw/zinc/71/13/23/945711323.db2.gz QJZSSQXTYLZLOA-UOIKSKOESA-N 2 1 366.431 3.675 20 0 FHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651706219 945728644 /nfs/dbraw/zinc/72/86/44/945728644.db2.gz XAGUYDHBHLUWJG-IBGZPJMESA-N 2 1 366.553 3.673 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](CCO)Cc2cccs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168050463 945883046 /nfs/dbraw/zinc/88/30/46/945883046.db2.gz BAQJYODRDKIKGL-OPVJXMOQSA-N 2 1 358.551 3.984 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](CCO)Cc2cccs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050463 945883048 /nfs/dbraw/zinc/88/30/48/945883048.db2.gz BAQJYODRDKIKGL-OPVJXMOQSA-N 2 1 358.551 3.984 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+](CCO)Cc2cccs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050463 945883059 /nfs/dbraw/zinc/88/30/59/945883059.db2.gz BAQJYODRDKIKGL-OPVJXMOQSA-N 2 1 358.551 3.984 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](CCO)Cc2cccs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050463 945883067 /nfs/dbraw/zinc/88/30/67/945883067.db2.gz BAQJYODRDKIKGL-OPVJXMOQSA-N 2 1 358.551 3.984 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700507 945922355 /nfs/dbraw/zinc/92/23/55/945922355.db2.gz FLBHWXAFKCYAEN-QFBILLFUSA-N 2 1 369.509 3.953 20 0 FHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000522891766 946064805 /nfs/dbraw/zinc/06/48/05/946064805.db2.gz HWLOVPKQKVEFIS-CNNODRBYSA-N 2 1 371.569 3.655 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825198 946074306 /nfs/dbraw/zinc/07/43/06/946074306.db2.gz FJCBFQKSRBRKSG-GCJKJVERSA-N 2 1 369.553 3.724 20 0 FHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000651866130 946117462 /nfs/dbraw/zinc/11/74/62/946117462.db2.gz VXBLFPRHRANFSA-UHFFFAOYSA-N 2 1 365.949 3.512 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168052941 946148702 /nfs/dbraw/zinc/14/87/02/946148702.db2.gz LRDMLXGSOGQEEW-MXNKGDRCSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052941 946148706 /nfs/dbraw/zinc/14/87/06/946148706.db2.gz LRDMLXGSOGQEEW-MXNKGDRCSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052941 946148710 /nfs/dbraw/zinc/14/87/10/946148710.db2.gz LRDMLXGSOGQEEW-MXNKGDRCSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052941 946148715 /nfs/dbraw/zinc/14/87/15/946148715.db2.gz LRDMLXGSOGQEEW-MXNKGDRCSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052941 946148720 /nfs/dbraw/zinc/14/87/20/946148720.db2.gz LRDMLXGSOGQEEW-MXNKGDRCSA-N 2 1 371.569 3.809 20 0 FHADMP CC(C)O[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000651897571 946196437 /nfs/dbraw/zinc/19/64/37/946196437.db2.gz DTXLOAKLLIBTIN-NRFANRHFSA-N 2 1 359.558 3.606 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3occc3C)CC2)c1C ZINC000579163235 946201638 /nfs/dbraw/zinc/20/16/38/946201638.db2.gz GBAQBIRFKUTNOG-UHFFFAOYSA-N 2 1 357.498 3.705 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3occc3C)CC2)c1C ZINC000579163235 946201647 /nfs/dbraw/zinc/20/16/47/946201647.db2.gz GBAQBIRFKUTNOG-UHFFFAOYSA-N 2 1 357.498 3.705 20 0 FHADMP Cc1cc(C)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000520190460 946250452 /nfs/dbraw/zinc/25/04/52/946250452.db2.gz TZSUNJZTQBFLDZ-FQEVSTJZSA-N 2 1 357.567 3.752 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054814 946278111 /nfs/dbraw/zinc/27/81/11/946278111.db2.gz UIQLNLHILPFKQN-IRMYBRCSSA-N 2 1 355.570 3.988 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930398 946305484 /nfs/dbraw/zinc/30/54/84/946305484.db2.gz RCUNELHRPLQIGI-FCHUYYIVSA-N 2 1 354.538 3.978 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930398 946305496 /nfs/dbraw/zinc/30/54/96/946305496.db2.gz RCUNELHRPLQIGI-FCHUYYIVSA-N 2 1 354.538 3.978 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752164 946309853 /nfs/dbraw/zinc/30/98/53/946309853.db2.gz UVEPHRFFUJBWCL-QFBILLFUSA-N 2 1 369.509 3.953 20 0 FHADMP CCOC1CC(CNc2c(C)c(C)[nH+]c3ccccc32)([NH+]2CCOCC2)C1 ZINC000302835215 946345443 /nfs/dbraw/zinc/34/54/43/946345443.db2.gz UXCJDXNJURZENP-UHFFFAOYSA-N 2 1 369.509 3.533 20 0 FHADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1CC1 ZINC000441278029 946390442 /nfs/dbraw/zinc/39/04/42/946390442.db2.gz MDFQSXAAHBVBFI-UHFFFAOYSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000441278029 946390447 /nfs/dbraw/zinc/39/04/47/946390447.db2.gz MDFQSXAAHBVBFI-UHFFFAOYSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000441278029 946390455 /nfs/dbraw/zinc/39/04/55/946390455.db2.gz MDFQSXAAHBVBFI-UHFFFAOYSA-N 2 1 357.542 3.552 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970791 946397342 /nfs/dbraw/zinc/39/73/42/946397342.db2.gz BIGBHJXFFSQAMZ-ZIAGYGMSSA-N 2 1 370.324 3.644 20 0 FHADMP CCN(CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000475137162 946456534 /nfs/dbraw/zinc/45/65/34/946456534.db2.gz JGZFUQGAPROEKY-UHFFFAOYSA-N 2 1 372.479 3.504 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000652237719 946508440 /nfs/dbraw/zinc/50/84/40/946508440.db2.gz BCRRKBDIXBITFL-HSALFYBXSA-N 2 1 355.457 3.975 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000652237719 946508449 /nfs/dbraw/zinc/50/84/49/946508449.db2.gz BCRRKBDIXBITFL-HSALFYBXSA-N 2 1 355.457 3.975 20 0 FHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368093 946516974 /nfs/dbraw/zinc/51/69/74/946516974.db2.gz ASOZPVNIULCIIN-PMACEKPBSA-N 2 1 362.558 3.530 20 0 FHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368093 946516977 /nfs/dbraw/zinc/51/69/77/946516977.db2.gz ASOZPVNIULCIIN-PMACEKPBSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368093 946516985 /nfs/dbraw/zinc/51/69/85/946516985.db2.gz ASOZPVNIULCIIN-PMACEKPBSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368093 946516990 /nfs/dbraw/zinc/51/69/90/946516990.db2.gz ASOZPVNIULCIIN-PMACEKPBSA-N 2 1 362.558 3.530 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191074 946624075 /nfs/dbraw/zinc/62/40/75/946624075.db2.gz CCTZJOVEOGVDNO-LVQVYYBASA-N 2 1 356.963 3.984 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191074 946624079 /nfs/dbraw/zinc/62/40/79/946624079.db2.gz CCTZJOVEOGVDNO-LVQVYYBASA-N 2 1 356.963 3.984 20 0 FHADMP COc1cc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000475272519 946807855 /nfs/dbraw/zinc/80/78/55/946807855.db2.gz YOXVXZLHGKQSLF-IBGZPJMESA-N 2 1 354.494 3.624 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647976646 946889868 /nfs/dbraw/zinc/88/98/68/946889868.db2.gz RNWHXJAERJSXIR-MSOLQXFVSA-N 2 1 355.482 3.562 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000523131645 946896742 /nfs/dbraw/zinc/89/67/42/946896742.db2.gz IZCCDCQMQFLGKM-UHFFFAOYSA-N 2 1 374.573 3.592 20 0 FHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])c2)cs1 ZINC000652355511 946916694 /nfs/dbraw/zinc/91/66/94/946916694.db2.gz ZMEUFPSETBFLJF-KUHUBIRLSA-N 2 1 372.538 3.506 20 0 FHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])c2)cs1 ZINC000652355511 946916700 /nfs/dbraw/zinc/91/67/00/946916700.db2.gz ZMEUFPSETBFLJF-KUHUBIRLSA-N 2 1 372.538 3.506 20 0 FHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364062 946932302 /nfs/dbraw/zinc/93/23/02/946932302.db2.gz WIILFSKEZCRRDM-CGTJXYLNSA-N 2 1 361.511 3.572 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511921973 947007123 /nfs/dbraw/zinc/00/71/23/947007123.db2.gz JDJQBBFLGWAACR-HQMUEHRGSA-N 2 1 372.459 3.725 20 0 FHADMP c1ccc(-c2n[nH]c(C3CC[NH+](CCC[NH+]4CCCCC4)CC3)n2)cc1 ZINC000444619491 947051775 /nfs/dbraw/zinc/05/17/75/947051775.db2.gz KDPVMFTXTZWMMO-UHFFFAOYSA-N 2 1 353.514 3.527 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167949609 947084039 /nfs/dbraw/zinc/08/40/39/947084039.db2.gz LJJUHLNDGUKBAY-LPHOPBHVSA-N 2 1 371.529 3.528 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192934030 947114750 /nfs/dbraw/zinc/11/47/50/947114750.db2.gz GDEQZKMRGZNJJH-SFHVURJKSA-N 2 1 358.555 3.601 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192934030 947114759 /nfs/dbraw/zinc/11/47/59/947114759.db2.gz GDEQZKMRGZNJJH-SFHVURJKSA-N 2 1 358.555 3.601 20 0 FHADMP CCOc1c(Cl)cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000245781464 947221979 /nfs/dbraw/zinc/22/19/79/947221979.db2.gz UJQZQXGDDRFWFI-YOEHRIQHSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245781464 947221990 /nfs/dbraw/zinc/22/19/90/947221990.db2.gz UJQZQXGDDRFWFI-YOEHRIQHSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245781464 947221999 /nfs/dbraw/zinc/22/19/99/947221999.db2.gz UJQZQXGDDRFWFI-YOEHRIQHSA-N 2 1 354.922 3.909 20 0 FHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000487474788 947320965 /nfs/dbraw/zinc/32/09/65/947320965.db2.gz YXFXVYJPXXWKEZ-QHCPKHFHSA-N 2 1 365.521 3.533 20 0 FHADMP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000188592941 947495958 /nfs/dbraw/zinc/49/59/58/947495958.db2.gz MEMISBUKBQQFHL-VQTJNVASSA-N 2 1 371.525 3.654 20 0 FHADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)C(=O)Nc1ccccc1 ZINC000662257912 947676771 /nfs/dbraw/zinc/67/67/71/947676771.db2.gz RGCKTYNECKHRJC-QGZVFWFLSA-N 2 1 351.494 3.572 20 0 FHADMP OCCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000662255690 947678353 /nfs/dbraw/zinc/67/83/53/947678353.db2.gz DGWVSSIILPWFQB-QHCPKHFHSA-N 2 1 350.506 3.594 20 0 FHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264087 947682408 /nfs/dbraw/zinc/68/24/08/947682408.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 2 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264087 947682412 /nfs/dbraw/zinc/68/24/12/947682412.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 2 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264087 947682413 /nfs/dbraw/zinc/68/24/13/947682413.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 2 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264087 947682417 /nfs/dbraw/zinc/68/24/17/947682417.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 3 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264087 947682421 /nfs/dbraw/zinc/68/24/21/947682421.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 3 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264087 947682424 /nfs/dbraw/zinc/68/24/24/947682424.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 3 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264087 947682425 /nfs/dbraw/zinc/68/24/25/947682425.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 3 1 363.549 3.817 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264586 947683892 /nfs/dbraw/zinc/68/38/92/947683892.db2.gz RIJUZZLELLXYAY-RDJZCZTQSA-N 2 1 357.523 3.632 20 0 FHADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274557 947700171 /nfs/dbraw/zinc/70/01/71/947700171.db2.gz VXKWFYLFZUNILI-OLZOCXBDSA-N 2 1 372.738 3.709 20 0 FHADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274557 947700175 /nfs/dbraw/zinc/70/01/75/947700175.db2.gz VXKWFYLFZUNILI-OLZOCXBDSA-N 2 1 372.738 3.709 20 0 FHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294027 947716016 /nfs/dbraw/zinc/71/60/16/947716016.db2.gz AEVSJKUWFJASEU-PKOBYXMFSA-N 2 1 357.542 3.849 20 0 FHADMP c1sc(Cc2ccccc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292638 947716223 /nfs/dbraw/zinc/71/62/23/947716223.db2.gz GRYSTSIAWAFNKT-IBGZPJMESA-N 2 1 355.551 3.946 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293297 947716739 /nfs/dbraw/zinc/71/67/39/947716739.db2.gz GCVRXOFIEHNVPW-IBGZPJMESA-N 2 1 357.542 3.769 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298452 947720474 /nfs/dbraw/zinc/72/04/74/947720474.db2.gz WEKFSKVIMJGHDA-NVXWUHKLSA-N 2 1 363.933 3.687 20 0 FHADMP c1ccc(-n2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c3c2CCC3)cc1 ZINC000662295965 947721249 /nfs/dbraw/zinc/72/12/49/947721249.db2.gz JLDDWKBFRXYLNC-LJQANCHMSA-N 2 1 364.537 3.573 20 0 FHADMP O=C(c1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1)N1CCCCC1 ZINC000662296519 947722053 /nfs/dbraw/zinc/72/20/53/947722053.db2.gz LQWVIXCABXFEEH-JOCHJYFZSA-N 2 1 369.553 3.524 20 0 FHADMP C[C@@H](c1ccccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326978 947748130 /nfs/dbraw/zinc/74/81/30/947748130.db2.gz BXUGFODVXGIRSG-HNNXBMFYSA-N 2 1 356.489 3.956 20 0 FHADMP CSc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327798 947758608 /nfs/dbraw/zinc/75/86/08/947758608.db2.gz MRBDQLYUVIWWMN-UHFFFAOYSA-N 2 1 370.566 3.978 20 0 FHADMP CC(C)c1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cs1 ZINC000662326897 947758615 /nfs/dbraw/zinc/75/86/15/947758615.db2.gz GTDBGJDTIGOOKM-UHFFFAOYSA-N 2 1 373.570 3.836 20 0 FHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000662327560 947758707 /nfs/dbraw/zinc/75/87/07/947758707.db2.gz RZALYWWMTLHJRR-UHFFFAOYSA-N 2 1 368.525 3.525 20 0 FHADMP COc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347418 947821138 /nfs/dbraw/zinc/82/11/38/947821138.db2.gz ZKBNJEVOMFVWQL-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347418 947821149 /nfs/dbraw/zinc/82/11/49/947821149.db2.gz ZKBNJEVOMFVWQL-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347418 947821157 /nfs/dbraw/zinc/82/11/57/947821157.db2.gz ZKBNJEVOMFVWQL-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000663361029 947849176 /nfs/dbraw/zinc/84/91/76/947849176.db2.gz VIODTUFKRBLUBR-GOSISDBHSA-N 2 1 371.550 3.603 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000663361029 947849186 /nfs/dbraw/zinc/84/91/86/947849186.db2.gz VIODTUFKRBLUBR-GOSISDBHSA-N 2 1 371.550 3.603 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675982 947974210 /nfs/dbraw/zinc/97/42/10/947974210.db2.gz SDKJOGUNVJYVAZ-VBKZILBWSA-N 2 1 373.447 3.835 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675982 947974217 /nfs/dbraw/zinc/97/42/17/947974217.db2.gz SDKJOGUNVJYVAZ-VBKZILBWSA-N 2 1 373.447 3.835 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466146 948049911 /nfs/dbraw/zinc/04/99/11/948049911.db2.gz OOHFSTBRQCGBAV-DENIHFKCSA-N 2 1 364.537 3.961 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466146 948049916 /nfs/dbraw/zinc/04/99/16/948049916.db2.gz OOHFSTBRQCGBAV-DENIHFKCSA-N 2 1 364.537 3.961 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466146 948049924 /nfs/dbraw/zinc/04/99/24/948049924.db2.gz OOHFSTBRQCGBAV-DENIHFKCSA-N 2 1 364.537 3.961 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000663466602 948058358 /nfs/dbraw/zinc/05/83/58/948058358.db2.gz VYPKOXUQDUSAOY-QFBILLFUSA-N 2 1 360.542 3.655 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823771 948103023 /nfs/dbraw/zinc/10/30/23/948103023.db2.gz AABUVKFDSNKVBZ-KGLIPLIRSA-N 2 1 362.440 3.778 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824223 948104335 /nfs/dbraw/zinc/10/43/35/948104335.db2.gz CTOKMZMXKSOMHN-QZTJIDSGSA-N 2 1 355.567 3.734 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncc(Br)cc2C1 ZINC001167824682 948112855 /nfs/dbraw/zinc/11/28/55/948112855.db2.gz FGCXUKDCKTVMDB-AWEZNQCLSA-N 2 1 354.336 3.713 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001167825583 948125020 /nfs/dbraw/zinc/12/50/20/948125020.db2.gz RPXCNEDBQBAGSI-MDNUFGMLSA-N 2 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001167825696 948126787 /nfs/dbraw/zinc/12/67/87/948126787.db2.gz SQGXETPEDCIUSD-CWJKEVGVSA-N 2 1 352.563 3.545 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000093062433 948135189 /nfs/dbraw/zinc/13/51/89/948135189.db2.gz QQOBYFJBHPKAAW-UHFFFAOYSA-N 2 1 359.539 3.642 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)o1 ZINC000585716553 948232352 /nfs/dbraw/zinc/23/23/52/948232352.db2.gz YRFSDPYGQGYERH-GOSISDBHSA-N 2 1 373.497 3.590 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624320 948261106 /nfs/dbraw/zinc/26/11/06/948261106.db2.gz IBELXZBXYGTZET-LKDDOFHYSA-N 2 1 364.533 3.925 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001167835723 948298644 /nfs/dbraw/zinc/29/86/44/948298644.db2.gz UELBIOHLROQVRL-ZWKOTPCHSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001167835596 948300602 /nfs/dbraw/zinc/30/06/02/948300602.db2.gz RTCKLBMWSCDEHF-FXAWDEMLSA-N 2 1 363.521 3.530 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001167839496 948316002 /nfs/dbraw/zinc/31/60/02/948316002.db2.gz YKSNCTDMBIENKS-OKYOBFRVSA-N 2 1 367.578 3.732 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000278984787 948366419 /nfs/dbraw/zinc/36/64/19/948366419.db2.gz PIQMPEFSRWKIFY-ZIAGYGMSSA-N 2 1 353.388 3.737 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367272 948386100 /nfs/dbraw/zinc/38/61/00/948386100.db2.gz WLXXRQMITUKXHR-IRXDYDNUSA-N 2 1 358.530 3.695 20 0 FHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432422943 948388750 /nfs/dbraw/zinc/38/87/50/948388750.db2.gz HLELQZDDUIICTB-SJORKVTESA-N 2 1 370.484 3.700 20 0 FHADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432422943 948388757 /nfs/dbraw/zinc/38/87/57/948388757.db2.gz HLELQZDDUIICTB-SJORKVTESA-N 2 1 370.484 3.700 20 0 FHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422940 948388966 /nfs/dbraw/zinc/38/89/66/948388966.db2.gz HLELQZDDUIICTB-DLBZAZTESA-N 2 1 370.484 3.700 20 0 FHADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422940 948388972 /nfs/dbraw/zinc/38/89/72/948388972.db2.gz HLELQZDDUIICTB-DLBZAZTESA-N 2 1 370.484 3.700 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427535 948397885 /nfs/dbraw/zinc/39/78/85/948397885.db2.gz ZFTFBEWMFWJGEF-YJBOKZPZSA-N 2 1 356.457 3.830 20 0 FHADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512108302 948439652 /nfs/dbraw/zinc/43/96/52/948439652.db2.gz VDNNCFJXBBBISD-ZCNNSNEGSA-N 2 1 371.569 3.940 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129202 948505332 /nfs/dbraw/zinc/50/53/32/948505332.db2.gz JIFDFDKXIHGDPV-ZVVFDCPKSA-N 2 1 372.459 3.989 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129202 948505335 /nfs/dbraw/zinc/50/53/35/948505335.db2.gz JIFDFDKXIHGDPV-ZVVFDCPKSA-N 2 1 372.459 3.989 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005693 948519073 /nfs/dbraw/zinc/51/90/73/948519073.db2.gz KDAOHRDZJJKSKL-ASQQMFMASA-N 2 1 368.565 3.957 20 0 FHADMP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152415910 948593261 /nfs/dbraw/zinc/59/32/61/948593261.db2.gz UOEGFPDYAOISAI-SUMWQHHRSA-N 2 1 365.315 3.737 20 0 FHADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799089 948599697 /nfs/dbraw/zinc/59/96/97/948599697.db2.gz XBBGTGDQBCZTLS-PXNSSMCTSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799089 948599704 /nfs/dbraw/zinc/59/97/04/948599704.db2.gz XBBGTGDQBCZTLS-PXNSSMCTSA-N 2 1 358.505 3.750 20 0 FHADMP Cc1ccc(F)c(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000523977039 948735948 /nfs/dbraw/zinc/73/59/48/948735948.db2.gz RRUAUMHGEXELGV-JOCHJYFZSA-N 2 1 355.501 3.603 20 0 FHADMP CSc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508530453 948812723 /nfs/dbraw/zinc/81/27/23/948812723.db2.gz HOHHPHNCPZGHOZ-CYBMUJFWSA-N 2 1 357.361 3.945 20 0 FHADMP CSc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508530453 948812757 /nfs/dbraw/zinc/81/27/57/948812757.db2.gz HOHHPHNCPZGHOZ-CYBMUJFWSA-N 2 1 357.361 3.945 20 0 FHADMP CSc1cc(Br)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000508530453 948812770 /nfs/dbraw/zinc/81/27/70/948812770.db2.gz HOHHPHNCPZGHOZ-CYBMUJFWSA-N 2 1 357.361 3.945 20 0 FHADMP CSc1cc(Br)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508530453 948812792 /nfs/dbraw/zinc/81/27/92/948812792.db2.gz HOHHPHNCPZGHOZ-CYBMUJFWSA-N 2 1 357.361 3.945 20 0 FHADMP c1ccc(C[NH+]2CCC(Nc3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000498889876 515104109 /nfs/dbraw/zinc/10/41/09/515104109.db2.gz CFCUEIZPWLYKRW-UHFFFAOYSA-N 2 1 351.498 3.543 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430130 568030464 /nfs/dbraw/zinc/03/04/64/568030464.db2.gz PTSLCAOPWGAITI-FQEVSTJZSA-N 2 1 373.585 3.868 20 0 FHADMP CC[C@H]1CCCC[N@@H+]1CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603515163 568111449 /nfs/dbraw/zinc/11/14/49/568111449.db2.gz WFJTVKQEXTZVAR-NRFANRHFSA-N 2 1 359.558 3.515 20 0 FHADMP CC[C@H]1CCCC[N@H+]1CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603515163 568111450 /nfs/dbraw/zinc/11/14/50/568111450.db2.gz WFJTVKQEXTZVAR-NRFANRHFSA-N 2 1 359.558 3.515 20 0 FHADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000603694955 568136784 /nfs/dbraw/zinc/13/67/84/568136784.db2.gz OWVCNFOWLPFSBJ-HXUWFJFHSA-N 2 1 365.521 3.907 20 0 FHADMP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604331334 568250961 /nfs/dbraw/zinc/25/09/61/568250961.db2.gz FYMZOYQVFZJKAE-CTNGQTDRSA-N 2 1 363.590 3.514 20 0 FHADMP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604331334 568250962 /nfs/dbraw/zinc/25/09/62/568250962.db2.gz FYMZOYQVFZJKAE-CTNGQTDRSA-N 2 1 363.590 3.514 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1O ZINC000365246892 568358144 /nfs/dbraw/zinc/35/81/44/568358144.db2.gz JZBRZCSOWBDOEI-QGZVFWFLSA-N 2 1 369.509 3.684 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1 ZINC001164427871 718946664 /nfs/dbraw/zinc/94/66/64/718946664.db2.gz GXPVUNIRZDJRHY-BHDDXSALSA-N 2 1 362.521 3.704 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427874 718946730 /nfs/dbraw/zinc/94/67/30/718946730.db2.gz GXPVUNIRZDJRHY-BHIFYINESA-N 2 1 362.521 3.704 20 0 FHADMP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164845442 720690886 /nfs/dbraw/zinc/69/08/86/720690886.db2.gz ZXZGFAWQMWBHCT-OAQYLSRUSA-N 2 1 365.521 3.958 20 0 FHADMP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164845442 720690893 /nfs/dbraw/zinc/69/08/93/720690893.db2.gz ZXZGFAWQMWBHCT-OAQYLSRUSA-N 2 1 365.521 3.958 20 0 FHADMP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026124 721811127 /nfs/dbraw/zinc/81/11/27/721811127.db2.gz PGAAMVMZFWNBRV-YYWHXJBOSA-N 2 1 366.509 3.612 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C[C@@H]1c1ccccc1 ZINC000583015274 936368654 /nfs/dbraw/zinc/36/86/54/936368654.db2.gz VGAYWQYBMCRFDB-XUVXKRRUSA-N 2 1 360.567 3.856 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)C[C@@H]1c1ccccc1 ZINC000583015274 936368660 /nfs/dbraw/zinc/36/86/60/936368660.db2.gz VGAYWQYBMCRFDB-XUVXKRRUSA-N 2 1 360.567 3.856 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019772 936375818 /nfs/dbraw/zinc/37/58/18/936375818.db2.gz HJUXRAKKNXAAHT-AEFFLSMTSA-N 2 1 370.459 3.983 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019772 936375823 /nfs/dbraw/zinc/37/58/23/936375823.db2.gz HJUXRAKKNXAAHT-AEFFLSMTSA-N 2 1 370.459 3.983 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583024794 936376396 /nfs/dbraw/zinc/37/63/96/936376396.db2.gz JUGLKRQQZJZGAU-HXUWFJFHSA-N 2 1 358.917 3.718 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583024794 936376401 /nfs/dbraw/zinc/37/64/01/936376401.db2.gz JUGLKRQQZJZGAU-HXUWFJFHSA-N 2 1 358.917 3.718 20 0 FHADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583111564 937128781 /nfs/dbraw/zinc/12/87/81/937128781.db2.gz ZCYCGOJVGYAXDH-HSZRJFAPSA-N 2 1 366.553 3.643 20 0 FHADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583111564 937128783 /nfs/dbraw/zinc/12/87/83/937128783.db2.gz ZCYCGOJVGYAXDH-HSZRJFAPSA-N 2 1 366.553 3.643 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583111564 937128784 /nfs/dbraw/zinc/12/87/84/937128784.db2.gz ZCYCGOJVGYAXDH-HSZRJFAPSA-N 2 1 366.553 3.643 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583111564 937128786 /nfs/dbraw/zinc/12/87/86/937128786.db2.gz ZCYCGOJVGYAXDH-HSZRJFAPSA-N 2 1 366.553 3.643 20 0 FHADMP C[NH+](CCCC[N@H+](C)Cc1cc(C#N)cs1)Cc1cc(C#N)cs1 ZINC000092107676 927269301 /nfs/dbraw/zinc/26/93/01/927269301.db2.gz NFSYLWMXFIWXGK-UHFFFAOYSA-N 2 1 358.536 3.897 20 0 FHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148804 927349468 /nfs/dbraw/zinc/34/94/68/927349468.db2.gz OJJCQKATICEQQG-JOCHJYFZSA-N 2 1 352.526 3.697 20 0 FHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148804 927349480 /nfs/dbraw/zinc/34/94/80/927349480.db2.gz OJJCQKATICEQQG-JOCHJYFZSA-N 2 1 352.526 3.697 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148804 927349494 /nfs/dbraw/zinc/34/94/94/927349494.db2.gz OJJCQKATICEQQG-JOCHJYFZSA-N 2 1 352.526 3.697 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148804 927349506 /nfs/dbraw/zinc/34/95/06/927349506.db2.gz OJJCQKATICEQQG-JOCHJYFZSA-N 2 1 352.526 3.697 20 0 FHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000583135044 937157158 /nfs/dbraw/zinc/15/71/58/937157158.db2.gz JMIHWKQVNLEDME-MSOLQXFVSA-N 2 1 358.448 3.899 20 0 FHADMP CCc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1F ZINC000654950925 927650284 /nfs/dbraw/zinc/65/02/84/927650284.db2.gz YIQVFCZGHGMTGL-UHFFFAOYSA-N 2 1 361.505 3.523 20 0 FHADMP CC[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072562 927673955 /nfs/dbraw/zinc/67/39/55/927673955.db2.gz PTOSWPLHVBREOT-SESVDKBCSA-N 2 1 359.558 3.524 20 0 FHADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000607729131 927928889 /nfs/dbraw/zinc/92/88/89/927928889.db2.gz LOADTERVTLPNRR-CQSZACIVSA-N 2 1 362.905 3.648 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083446 927936819 /nfs/dbraw/zinc/93/68/19/927936819.db2.gz UKZBLGIBRWEUTC-LEWJYISDSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510083446 927936840 /nfs/dbraw/zinc/93/68/40/927936840.db2.gz UKZBLGIBRWEUTC-LEWJYISDSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510083446 927936849 /nfs/dbraw/zinc/93/68/49/927936849.db2.gz UKZBLGIBRWEUTC-LEWJYISDSA-N 2 1 371.569 3.668 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000430199856 927940699 /nfs/dbraw/zinc/94/06/99/927940699.db2.gz VIYDUFXISXSYGJ-LJQANCHMSA-N 2 1 361.599 3.794 20 0 FHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818118 927968111 /nfs/dbraw/zinc/96/81/11/927968111.db2.gz LUYBLBZPODQNQD-OAQYLSRUSA-N 2 1 353.514 3.622 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154453317 937223684 /nfs/dbraw/zinc/22/36/84/937223684.db2.gz YZQUNDMYRBKFEX-IBGZPJMESA-N 2 1 365.949 3.561 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@@H](C)O1 ZINC000120056423 928205834 /nfs/dbraw/zinc/20/58/34/928205834.db2.gz BTEBDRLDNDZLCG-HZPDHXFCSA-N 2 1 365.587 3.762 20 0 FHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453262 928755341 /nfs/dbraw/zinc/75/53/41/928755341.db2.gz MMHLUWPMIDSPTO-KRWDZBQOSA-N 2 1 367.331 3.529 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccnc3Cl)CC2)oc1C ZINC000162741990 937274473 /nfs/dbraw/zinc/27/44/73/937274473.db2.gz SDTRFXATUZTUNE-AWEZNQCLSA-N 2 1 362.905 3.903 20 0 FHADMP C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179566935 928835186 /nfs/dbraw/zinc/83/51/86/928835186.db2.gz JXWVYSYMDOGDPV-GOSISDBHSA-N 2 1 352.526 3.595 20 0 FHADMP C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179566935 928835200 /nfs/dbraw/zinc/83/52/00/928835200.db2.gz JXWVYSYMDOGDPV-GOSISDBHSA-N 2 1 352.526 3.595 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154457358 928844189 /nfs/dbraw/zinc/84/41/89/928844189.db2.gz WHJQVQFZJXGXEZ-QGZVFWFLSA-N 2 1 369.500 3.665 20 0 FHADMP CCCOc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000579867129 928906842 /nfs/dbraw/zinc/90/68/42/928906842.db2.gz XLELXFGQCQYNOD-UHFFFAOYSA-N 2 1 373.541 3.610 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)oc1C ZINC000162779816 937290301 /nfs/dbraw/zinc/29/03/01/937290301.db2.gz PWLUPWXKKPMFFU-MRXNPFEDSA-N 2 1 359.518 3.632 20 0 FHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H](C)C2 ZINC000180010578 929309207 /nfs/dbraw/zinc/30/92/07/929309207.db2.gz YWJLFWOXXDMLMZ-JPYJTQIMSA-N 2 1 350.506 3.850 20 0 FHADMP Cc1cccn2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)nc12 ZINC000180176095 929400286 /nfs/dbraw/zinc/40/02/86/929400286.db2.gz ZHDFXZKMFAOIAP-BAGYTPMASA-N 2 1 360.505 3.643 20 0 FHADMP Cc1cccn2cc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc12 ZINC000180176095 929400288 /nfs/dbraw/zinc/40/02/88/929400288.db2.gz ZHDFXZKMFAOIAP-BAGYTPMASA-N 2 1 360.505 3.643 20 0 FHADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583322000 937349361 /nfs/dbraw/zinc/34/93/61/937349361.db2.gz OSVQMZJZBDKWOS-LSDHHAIUSA-N 2 1 374.326 3.819 20 0 FHADMP C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312572962 929695263 /nfs/dbraw/zinc/69/52/63/929695263.db2.gz VCTMBSVMMXPHIK-PXNSSMCTSA-N 2 1 361.489 3.941 20 0 FHADMP O[C@@H](CCOCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167326818 929859122 /nfs/dbraw/zinc/85/91/22/929859122.db2.gz SOTGATHEGQJECT-PKTZIBPZSA-N 2 1 374.569 3.542 20 0 FHADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000580014282 929862613 /nfs/dbraw/zinc/86/26/13/929862613.db2.gz FZGJNRIHBJKMNY-IBGZPJMESA-N 2 1 359.558 3.586 20 0 FHADMP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000683723958 929929835 /nfs/dbraw/zinc/92/98/35/929929835.db2.gz YXWAIPPMLINBEW-JOCHJYFZSA-N 2 1 350.506 3.546 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397953585 930479981 /nfs/dbraw/zinc/47/99/81/930479981.db2.gz ASEBDTQBAZIHRB-PBASOCQRSA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397953585 930479987 /nfs/dbraw/zinc/47/99/87/930479987.db2.gz ASEBDTQBAZIHRB-PBASOCQRSA-N 2 1 358.526 3.609 20 0 FHADMP Cc1cccc2ncc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413329 937421528 /nfs/dbraw/zinc/42/15/28/937421528.db2.gz XHAXWRSMTAPNLF-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413329 937421532 /nfs/dbraw/zinc/42/15/32/937421532.db2.gz XHAXWRSMTAPNLF-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413329 937421534 /nfs/dbraw/zinc/42/15/34/937421534.db2.gz XHAXWRSMTAPNLF-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000583413329 937421537 /nfs/dbraw/zinc/42/15/37/937421537.db2.gz XHAXWRSMTAPNLF-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000125122365 930582825 /nfs/dbraw/zinc/58/28/25/930582825.db2.gz QSALJSRHKHIMNU-MRXNPFEDSA-N 2 1 351.485 3.531 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000557040090 930687191 /nfs/dbraw/zinc/68/71/91/930687191.db2.gz XPSBHHFZWYNFGX-QFBILLFUSA-N 2 1 372.538 3.672 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000580469873 930710873 /nfs/dbraw/zinc/71/08/73/930710873.db2.gz NNDHXOZUXCIKML-UHFFFAOYSA-N 2 1 365.880 3.756 20 0 FHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000564601853 930822735 /nfs/dbraw/zinc/82/27/35/930822735.db2.gz YOOFDTQALAHIKH-RJGXRXQPSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000047976656 930955224 /nfs/dbraw/zinc/95/52/24/930955224.db2.gz JDPKRCWTZVXPQQ-UHFFFAOYSA-N 2 1 359.558 3.976 20 0 FHADMP c1nc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403531 931592007 /nfs/dbraw/zinc/59/20/07/931592007.db2.gz BLOZFPTZZXSKFG-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403531 931592011 /nfs/dbraw/zinc/59/20/11/931592011.db2.gz BLOZFPTZZXSKFG-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403531 931592021 /nfs/dbraw/zinc/59/20/21/931592021.db2.gz BLOZFPTZZXSKFG-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403531 931592025 /nfs/dbraw/zinc/59/20/25/931592025.db2.gz BLOZFPTZZXSKFG-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403534 931592186 /nfs/dbraw/zinc/59/21/86/931592186.db2.gz BLOZFPTZZXSKFG-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403534 931592192 /nfs/dbraw/zinc/59/21/92/931592192.db2.gz BLOZFPTZZXSKFG-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403534 931592196 /nfs/dbraw/zinc/59/21/96/931592196.db2.gz BLOZFPTZZXSKFG-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403534 931592200 /nfs/dbraw/zinc/59/22/00/931592200.db2.gz BLOZFPTZZXSKFG-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398355232 931611039 /nfs/dbraw/zinc/61/10/39/931611039.db2.gz KXNFQDWLOGAHTM-DZWOVHDNSA-N 2 1 350.506 3.736 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398355232 931611041 /nfs/dbraw/zinc/61/10/41/931611041.db2.gz KXNFQDWLOGAHTM-DZWOVHDNSA-N 2 1 350.506 3.736 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000581360952 931893994 /nfs/dbraw/zinc/89/39/94/931893994.db2.gz QXAGAJNUHPLOTQ-RKVPGOIHSA-N 2 1 369.937 3.531 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000581360952 931893996 /nfs/dbraw/zinc/89/39/96/931893996.db2.gz QXAGAJNUHPLOTQ-RKVPGOIHSA-N 2 1 369.937 3.531 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569257 931906000 /nfs/dbraw/zinc/90/60/00/931906000.db2.gz HFTASEGPTCIBKM-ZWKOTPCHSA-N 2 1 367.493 3.867 20 0 FHADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783795 932419654 /nfs/dbraw/zinc/41/96/54/932419654.db2.gz UKZMBSQTRJZUOW-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784071 932420132 /nfs/dbraw/zinc/42/01/32/932420132.db2.gz CJRTUFIEZYNBPF-OAHLLOKOSA-N 2 1 360.452 3.567 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656787013 932425893 /nfs/dbraw/zinc/42/58/93/932425893.db2.gz ZLTSMFUIOZJLQW-INIZCTEOSA-N 2 1 367.331 3.669 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000656786732 932426158 /nfs/dbraw/zinc/42/61/58/932426158.db2.gz XCPNSQAZYKKRPE-MRXNPFEDSA-N 2 1 352.906 3.569 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)c1OC ZINC000581693888 932512098 /nfs/dbraw/zinc/51/20/98/932512098.db2.gz TYBDZUVQGKMRJD-SFHVURJKSA-N 2 1 369.509 3.925 20 0 FHADMP CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000156521274 933094963 /nfs/dbraw/zinc/09/49/63/933094963.db2.gz JATKQPMRTODJJO-INIZCTEOSA-N 2 1 362.477 3.781 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000510698142 933448935 /nfs/dbraw/zinc/44/89/35/933448935.db2.gz DZARRNWGMJZEBK-KRWDZBQOSA-N 2 1 366.496 3.911 20 0 FHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000562986342 933603200 /nfs/dbraw/zinc/60/32/00/933603200.db2.gz AKQQYYGKARWYMU-ROUUACIJSA-N 2 1 368.949 3.632 20 0 FHADMP CCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431031801 933714689 /nfs/dbraw/zinc/71/46/89/933714689.db2.gz DFZZCRXGUAQONE-NNMXDRDESA-N 2 1 371.569 3.696 20 0 FHADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000431042176 933738637 /nfs/dbraw/zinc/73/86/37/933738637.db2.gz DGRJQLYVDFLDAI-KSEOMHKRSA-N 2 1 371.569 3.666 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000092165976 933970576 /nfs/dbraw/zinc/97/05/76/933970576.db2.gz GWYLLEJNRRGPQY-UHFFFAOYSA-N 2 1 353.510 3.967 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000092165976 933970582 /nfs/dbraw/zinc/97/05/82/933970582.db2.gz GWYLLEJNRRGPQY-UHFFFAOYSA-N 2 1 353.510 3.967 20 0 FHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638590 934160602 /nfs/dbraw/zinc/16/06/02/934160602.db2.gz GMLOGUCWRIWMIA-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638590 934160606 /nfs/dbraw/zinc/16/06/06/934160606.db2.gz GMLOGUCWRIWMIA-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638590 934160608 /nfs/dbraw/zinc/16/06/08/934160608.db2.gz GMLOGUCWRIWMIA-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638590 934160616 /nfs/dbraw/zinc/16/06/16/934160616.db2.gz GMLOGUCWRIWMIA-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548486846 934161678 /nfs/dbraw/zinc/16/16/78/934161678.db2.gz MZCKYFAPZYPKRL-UYAOXDASSA-N 2 1 362.521 3.616 20 0 FHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]21 ZINC000262095765 934167414 /nfs/dbraw/zinc/16/74/14/934167414.db2.gz IJBOUKDTAUPCJG-YLQAJVPDSA-N 2 1 360.299 3.557 20 0 FHADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684580153 934176623 /nfs/dbraw/zinc/17/66/23/934176623.db2.gz BFDZYGBUPAHLKS-UHFFFAOYSA-N 2 1 357.498 3.515 20 0 FHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976214 934245337 /nfs/dbraw/zinc/24/53/37/934245337.db2.gz FLLBKWSHTCKRKT-IEBWSBKVSA-N 2 1 360.542 3.997 20 0 FHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976214 934245344 /nfs/dbraw/zinc/24/53/44/934245344.db2.gz FLLBKWSHTCKRKT-IEBWSBKVSA-N 2 1 360.542 3.997 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cscn3)CC2)cs1 ZINC000535779998 934383964 /nfs/dbraw/zinc/38/39/64/934383964.db2.gz OAZQBODROAZSIL-ZDUSSCGKSA-N 2 1 350.557 3.725 20 0 FHADMP Cc1nc(COc2ccc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc2)no1 ZINC000535811405 934403290 /nfs/dbraw/zinc/40/32/90/934403290.db2.gz WLYAXYFKDAAJJS-UHFFFAOYSA-N 2 1 372.513 3.509 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000277000437 934433006 /nfs/dbraw/zinc/43/30/06/934433006.db2.gz YZACIPIGHMLYIV-KRWDZBQOSA-N 2 1 355.530 3.697 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000277000437 934433012 /nfs/dbraw/zinc/43/30/12/934433012.db2.gz YZACIPIGHMLYIV-KRWDZBQOSA-N 2 1 355.530 3.697 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825757 934500340 /nfs/dbraw/zinc/50/03/40/934500340.db2.gz MLSILPILMCSJDI-MAZHCROVSA-N 2 1 372.294 3.815 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825757 934500344 /nfs/dbraw/zinc/50/03/44/934500344.db2.gz MLSILPILMCSJDI-MAZHCROVSA-N 2 1 372.294 3.815 20 0 FHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684611208 934505422 /nfs/dbraw/zinc/50/54/22/934505422.db2.gz CEKPVRJGEHPUTF-MAUKXSAKSA-N 2 1 370.459 3.869 20 0 FHADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458295525 934589425 /nfs/dbraw/zinc/58/94/25/934589425.db2.gz WXWYJQRCIWQNDG-OAQYLSRUSA-N 2 1 351.494 3.660 20 0 FHADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000657182848 934667838 /nfs/dbraw/zinc/66/78/38/934667838.db2.gz PNGKGGJKAHTAJF-MRXNPFEDSA-N 2 1 352.482 3.655 20 0 FHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)c2cccs2)CC1 ZINC000535898725 934729919 /nfs/dbraw/zinc/72/99/19/934729919.db2.gz FIGXRDJRFBEHRQ-KRWDZBQOSA-N 2 1 367.921 3.619 20 0 FHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000537959153 934846282 /nfs/dbraw/zinc/84/62/82/934846282.db2.gz WVHLNKSVPSCCHM-YPAWHYETSA-N 2 1 372.553 3.991 20 0 FHADMP CCCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000657292567 934974769 /nfs/dbraw/zinc/97/47/69/934974769.db2.gz AGJLQVJPOQBQQK-UHFFFAOYSA-N 2 1 368.521 3.906 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000105443094 935086756 /nfs/dbraw/zinc/08/67/56/935086756.db2.gz UDECAWJIQPCXTD-KRWDZBQOSA-N 2 1 350.466 3.591 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000511066724 935210553 /nfs/dbraw/zinc/21/05/53/935210553.db2.gz WHXDZFYVNZOQLL-LJQANCHMSA-N 2 1 359.558 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000511066724 935210560 /nfs/dbraw/zinc/21/05/60/935210560.db2.gz WHXDZFYVNZOQLL-LJQANCHMSA-N 2 1 359.558 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000511066724 935210563 /nfs/dbraw/zinc/21/05/63/935210563.db2.gz WHXDZFYVNZOQLL-LJQANCHMSA-N 2 1 359.558 3.911 20 0 FHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000518152296 945088204 /nfs/dbraw/zinc/08/82/04/945088204.db2.gz BZNNYBIGQQHVPP-LPHOPBHVSA-N 2 1 366.933 3.718 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000518152296 945088216 /nfs/dbraw/zinc/08/82/16/945088216.db2.gz BZNNYBIGQQHVPP-LPHOPBHVSA-N 2 1 366.933 3.718 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947604 935309573 /nfs/dbraw/zinc/30/95/73/935309573.db2.gz FDVKYYJFNGQWFK-OKYOBFRVSA-N 2 1 365.562 3.629 20 0 FHADMP C[NH+](C)CCOc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000684768356 935316781 /nfs/dbraw/zinc/31/67/81/935316781.db2.gz ZTQVACHHSFDLQH-NRFANRHFSA-N 2 1 359.558 3.514 20 0 FHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)cc1 ZINC000684768356 935316785 /nfs/dbraw/zinc/31/67/85/935316785.db2.gz ZTQVACHHSFDLQH-NRFANRHFSA-N 2 1 359.558 3.514 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233737 935460066 /nfs/dbraw/zinc/46/00/66/935460066.db2.gz JFYBEUWETDUQSY-NRSPTQNISA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233737 935460068 /nfs/dbraw/zinc/46/00/68/935460068.db2.gz JFYBEUWETDUQSY-NRSPTQNISA-N 2 1 367.493 3.557 20 0 FHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(OC4CC4)c3F)CC2)nc(C)[nH+]1 ZINC000657389704 935513091 /nfs/dbraw/zinc/51/30/91/935513091.db2.gz NRXNWVDYWCDIOD-UHFFFAOYSA-N 2 1 370.472 3.532 20 0 FHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000439933443 945107996 /nfs/dbraw/zinc/10/79/96/945107996.db2.gz PRZMPJVKXBWNRR-OAQYLSRUSA-N 2 1 373.541 3.753 20 0 FHADMP C[N@H+]1C[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553562 /nfs/dbraw/zinc/55/35/62/935553562.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 2 1 363.549 3.586 20 0 FHADMP C[N@@H+]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553565 /nfs/dbraw/zinc/55/35/65/935553565.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 2 1 363.549 3.586 20 0 FHADMP C[N@H+]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553569 /nfs/dbraw/zinc/55/35/69/935553569.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 2 1 363.549 3.586 20 0 FHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000519106230 945113707 /nfs/dbraw/zinc/11/37/07/945113707.db2.gz SDVOUKOTJCMSJK-OAQYLSRUSA-N 2 1 369.509 3.649 20 0 FHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000582435309 935699101 /nfs/dbraw/zinc/69/91/01/935699101.db2.gz JLGDZMAGXLXWFO-OAHLLOKOSA-N 2 1 372.294 3.501 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000657431332 935715354 /nfs/dbraw/zinc/71/53/54/935715354.db2.gz ZWKMHSZZRSROPC-BJLQDIEVSA-N 2 1 360.542 3.843 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000511165839 935840291 /nfs/dbraw/zinc/84/02/91/935840291.db2.gz HXTXHLGHLPDSEQ-UHFFFAOYSA-N 2 1 367.537 3.910 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586069 935846553 /nfs/dbraw/zinc/84/65/53/935846553.db2.gz GXYKNDASPNONHT-ZWKOTPCHSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586069 935846557 /nfs/dbraw/zinc/84/65/57/935846557.db2.gz GXYKNDASPNONHT-ZWKOTPCHSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586069 935846561 /nfs/dbraw/zinc/84/65/61/935846561.db2.gz GXYKNDASPNONHT-ZWKOTPCHSA-N 2 1 355.567 3.876 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000582591765 935855819 /nfs/dbraw/zinc/85/58/19/935855819.db2.gz LBOJNTDDNVQFKZ-LSDHHAIUSA-N 2 1 371.447 3.744 20 0 FHADMP c1cc2cc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000511793819 945130718 /nfs/dbraw/zinc/13/07/18/945130718.db2.gz RHIPFEFWWYABGD-NRFANRHFSA-N 2 1 350.462 3.814 20 0 FHADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152897895 935886154 /nfs/dbraw/zinc/88/61/54/935886154.db2.gz FVJUNIJTXPXTEO-GOSISDBHSA-N 2 1 353.510 3.838 20 0 FHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000414960660 945140622 /nfs/dbraw/zinc/14/06/22/945140622.db2.gz YFOHAGHDDLVDBJ-LPHOPBHVSA-N 2 1 370.493 3.513 20 0 FHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237472328 936068802 /nfs/dbraw/zinc/06/88/02/936068802.db2.gz JAIIHJNQTVGAGI-HSALFYBXSA-N 2 1 371.569 3.561 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)C1 ZINC000657595547 936072447 /nfs/dbraw/zinc/07/24/47/936072447.db2.gz QSVGPFRHSQMEOT-IBGZPJMESA-N 2 1 352.503 3.758 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCCC4)s3)cc2)C1 ZINC000657597274 936072906 /nfs/dbraw/zinc/07/29/06/936072906.db2.gz RZQNWIWLIAPNBO-LJQANCHMSA-N 2 1 371.550 3.657 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593574 936073403 /nfs/dbraw/zinc/07/34/03/936073403.db2.gz IIGNUUZDFGNSMS-KRWDZBQOSA-N 2 1 365.304 3.850 20 0 FHADMP CC(=O)NC1CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000161531414 936259738 /nfs/dbraw/zinc/25/97/38/936259738.db2.gz VICIQNLKWOKRPH-RPCJCACASA-N 2 1 357.542 3.687 20 0 FHADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080338706 938249333 /nfs/dbraw/zinc/24/93/33/938249333.db2.gz WZSGQJBBOYHKSP-KNQAVFIVSA-N 2 1 368.521 3.855 20 0 FHADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080338706 938249334 /nfs/dbraw/zinc/24/93/34/938249334.db2.gz WZSGQJBBOYHKSP-KNQAVFIVSA-N 2 1 368.521 3.855 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705818 938282668 /nfs/dbraw/zinc/28/26/68/938282668.db2.gz XHNTTWWZRHSXHT-SCTDSRPQSA-N 2 1 357.523 3.528 20 0 FHADMP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705483 938283156 /nfs/dbraw/zinc/28/31/56/938283156.db2.gz JFEORRLQTSGXOM-TUNNFDKTSA-N 2 1 360.542 3.830 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706209 938285328 /nfs/dbraw/zinc/28/53/28/938285328.db2.gz GNJPHGKZEINCFW-ATZDWAIDSA-N 2 1 359.901 3.607 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706257 938285527 /nfs/dbraw/zinc/28/55/27/938285527.db2.gz HFWVMPCEOOAJFP-LZWOXQAQSA-N 2 1 363.552 3.590 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707975 938287694 /nfs/dbraw/zinc/28/76/94/938287694.db2.gz RAORBGYOMHNWHY-XKQJLSEDSA-N 2 1 360.395 3.563 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292056 938300608 /nfs/dbraw/zinc/30/06/08/938300608.db2.gz KQYQISUJFQVTAQ-MJGOQNOKSA-N 2 1 357.498 3.835 20 0 FHADMP CC(C)[NH+](CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000151057739 938309043 /nfs/dbraw/zinc/30/90/43/938309043.db2.gz OQYTXWMUIZCVDI-UHFFFAOYSA-N 3 1 374.617 3.816 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723397 938310640 /nfs/dbraw/zinc/31/06/40/938310640.db2.gz NHVMIVMVIIALSK-QRQLOZEOSA-N 2 1 357.523 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000650723474 938310687 /nfs/dbraw/zinc/31/06/87/938310687.db2.gz OPNHVWCJNLPBAL-UKPHBRMFSA-N 2 1 374.859 3.802 20 0 FHADMP CC(C)n1ccnc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774369 938317030 /nfs/dbraw/zinc/31/70/30/938317030.db2.gz YMJQYRGMAJJHMV-HXUWFJFHSA-N 2 1 352.526 3.856 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000583605691 938319251 /nfs/dbraw/zinc/31/92/51/938319251.db2.gz NZMJTKFTJNTZDE-INIZCTEOSA-N 2 1 370.368 3.636 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000583605691 938319253 /nfs/dbraw/zinc/31/92/53/938319253.db2.gz NZMJTKFTJNTZDE-INIZCTEOSA-N 2 1 370.368 3.636 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703519 938365904 /nfs/dbraw/zinc/36/59/04/938365904.db2.gz ADMNBEZEACTWCF-DLBZAZTESA-N 2 1 354.523 3.959 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703519 938365905 /nfs/dbraw/zinc/36/59/05/938365905.db2.gz ADMNBEZEACTWCF-DLBZAZTESA-N 2 1 354.523 3.959 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000132347247 938518602 /nfs/dbraw/zinc/51/86/02/938518602.db2.gz RVZCLHVNWRRQOD-NSYGIPOTSA-N 2 1 356.535 3.739 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000584003645 938533043 /nfs/dbraw/zinc/53/30/43/938533043.db2.gz LFXZFPQUXWKYBL-GOSISDBHSA-N 2 1 365.606 3.761 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000151376098 938534721 /nfs/dbraw/zinc/53/47/21/938534721.db2.gz PTFUWGZCBAWTBT-HSZRJFAPSA-N 2 1 366.549 3.667 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000584021115 938550827 /nfs/dbraw/zinc/55/08/27/938550827.db2.gz HFCNWOMVOJGIJX-BMRADRMJSA-N 2 1 369.475 3.678 20 0 FHADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584118208 938604854 /nfs/dbraw/zinc/60/48/54/938604854.db2.gz MPMOZPLNNQRKPR-IBGZPJMESA-N 2 1 352.453 3.566 20 0 FHADMP COc1cc2ccc([C@@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2cc1OC ZINC000657834007 938635350 /nfs/dbraw/zinc/63/53/50/938635350.db2.gz IDEAODIIRRYNEZ-CVEARBPZSA-N 2 1 354.494 3.992 20 0 FHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632237 938800043 /nfs/dbraw/zinc/80/00/43/938800043.db2.gz XCFFTKBGNHNEEY-INIZCTEOSA-N 2 1 374.916 3.596 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632237 938800045 /nfs/dbraw/zinc/80/00/45/938800045.db2.gz XCFFTKBGNHNEEY-INIZCTEOSA-N 2 1 374.916 3.596 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632237 938800047 /nfs/dbraw/zinc/80/00/47/938800047.db2.gz XCFFTKBGNHNEEY-INIZCTEOSA-N 2 1 374.916 3.596 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632237 938800051 /nfs/dbraw/zinc/80/00/51/938800051.db2.gz XCFFTKBGNHNEEY-INIZCTEOSA-N 2 1 374.916 3.596 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000708530084 938802490 /nfs/dbraw/zinc/80/24/90/938802490.db2.gz WLWOEVXNYJJASM-HLAWJBBLSA-N 2 1 350.506 3.910 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000089623116 938861353 /nfs/dbraw/zinc/86/13/53/938861353.db2.gz ZSMZMHHJPGJMSJ-IBGZPJMESA-N 2 1 352.522 3.923 20 0 FHADMP COC(=O)c1cc(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCCC2)cn1C ZINC000584439213 938883756 /nfs/dbraw/zinc/88/37/56/938883756.db2.gz KFXMKAUUOWUICT-QGZVFWFLSA-N 2 1 369.509 3.565 20 0 FHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000091265934 938898859 /nfs/dbraw/zinc/89/88/59/938898859.db2.gz NDJCZZBZKGKUGU-QHCPKHFHSA-N 2 1 366.505 3.768 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000708545990 938913908 /nfs/dbraw/zinc/91/39/08/938913908.db2.gz WFVKGCKFHPQVAU-YLJYHZDGSA-N 2 1 354.494 3.562 20 0 FHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000148576981 938959947 /nfs/dbraw/zinc/95/99/47/938959947.db2.gz QAUARKMPAYDHOK-MOPGFXCFSA-N 2 1 357.542 3.523 20 0 FHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC3CCCCC3)CC2)CC1 ZINC000685416744 938984956 /nfs/dbraw/zinc/98/49/56/938984956.db2.gz XEFMXWLQCSTOGK-UHFFFAOYSA-N 2 1 363.590 3.613 20 0 FHADMP c1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000685452297 938987509 /nfs/dbraw/zinc/98/75/09/938987509.db2.gz CUNGFVSYUAKFOT-JOCHJYFZSA-N 2 1 351.494 3.893 20 0 FHADMP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457576 938987914 /nfs/dbraw/zinc/98/79/14/938987914.db2.gz FIUFDIUUZZRSKG-GOSISDBHSA-N 2 1 371.500 3.686 20 0 FHADMP CCCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000685460302 938988400 /nfs/dbraw/zinc/98/84/00/938988400.db2.gz JXMSRHKEHBDUAT-CBQGHPETSA-N 2 1 371.569 3.608 20 0 FHADMP CCCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000685460302 938988401 /nfs/dbraw/zinc/98/84/01/938988401.db2.gz JXMSRHKEHBDUAT-CBQGHPETSA-N 2 1 371.569 3.608 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000685462859 938988630 /nfs/dbraw/zinc/98/86/30/938988630.db2.gz UYYHKFHOKWPBPH-MRXNPFEDSA-N 2 1 357.498 3.690 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000685462859 938988631 /nfs/dbraw/zinc/98/86/31/938988631.db2.gz UYYHKFHOKWPBPH-MRXNPFEDSA-N 2 1 357.498 3.690 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708563115 938991539 /nfs/dbraw/zinc/99/15/39/938991539.db2.gz USDXXKGDBJWUTG-SBHAEUEKSA-N 2 1 365.521 3.761 20 0 FHADMP Cc1cnn(CCCCC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821170 938992014 /nfs/dbraw/zinc/99/20/14/938992014.db2.gz QKTYWMHVOADQDD-UHFFFAOYSA-N 2 1 369.557 3.995 20 0 FHADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)cc(Br)c1 ZINC000657981980 939015551 /nfs/dbraw/zinc/01/55/51/939015551.db2.gz JVZUXKVFONXGNT-INIZCTEOSA-N 2 1 354.267 3.851 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000658002430 939018419 /nfs/dbraw/zinc/01/84/19/939018419.db2.gz CJFUMCZPJIHQMO-YADHBBJMSA-N 2 1 374.569 3.708 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000658002430 939018420 /nfs/dbraw/zinc/01/84/20/939018420.db2.gz CJFUMCZPJIHQMO-YADHBBJMSA-N 2 1 374.569 3.708 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019637 939018982 /nfs/dbraw/zinc/01/89/82/939018982.db2.gz UAADBRZXUIOVBU-DHIUTWEWSA-N 2 1 374.569 3.710 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134711 939030157 /nfs/dbraw/zinc/03/01/57/939030157.db2.gz BGCWJKQOFRIQNA-XFWGSAIBSA-N 2 1 356.535 3.597 20 0 FHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137057 939030489 /nfs/dbraw/zinc/03/04/89/939030489.db2.gz IRBXXWOCLRFUOE-PIPMEXSNSA-N 2 1 350.506 3.900 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137077 939030649 /nfs/dbraw/zinc/03/06/49/939030649.db2.gz IRGAHCLZNWBNDF-UNMCSNQZSA-N 2 1 354.469 3.560 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142246 939036287 /nfs/dbraw/zinc/03/62/87/939036287.db2.gz VGEYXMIBRUAXHA-DYESRHJHSA-N 2 1 356.897 3.684 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143559 939036716 /nfs/dbraw/zinc/03/67/16/939036716.db2.gz ZIHJFUMDWVEVHB-BEFAXECRSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138101 939042537 /nfs/dbraw/zinc/04/25/37/939042537.db2.gz MSJDGFUHFVZMCJ-DYESRHJHSA-N 2 1 361.489 3.652 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658212239 939065099 /nfs/dbraw/zinc/06/50/99/939065099.db2.gz JMYWYTOTBDGFJH-CEMLEFRQSA-N 2 1 364.537 3.688 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000658209780 939070069 /nfs/dbraw/zinc/07/00/69/939070069.db2.gz SEYNFKKFJQMRGW-RHSMWYFYSA-N 2 1 351.332 3.844 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 ZINC000658236351 939078280 /nfs/dbraw/zinc/07/82/80/939078280.db2.gz SLLCAOBWXNVGTR-XUEUYAKLSA-N 2 1 363.509 3.976 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000658303606 939095464 /nfs/dbraw/zinc/09/54/64/939095464.db2.gz BZBAAOXYKLLLJI-TZIWHRDSSA-N 2 1 371.569 3.573 20 0 FHADMP CC(C)[C@@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658289265 939098892 /nfs/dbraw/zinc/09/88/92/939098892.db2.gz YPWVLUDQAWVCLQ-DHIUTWEWSA-N 2 1 352.522 3.999 20 0 FHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000289355039 945227531 /nfs/dbraw/zinc/22/75/31/945227531.db2.gz HTYXLQLXLHNHNI-UHFFFAOYSA-N 2 1 373.541 3.518 20 0 FHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319251 939110022 /nfs/dbraw/zinc/11/00/22/939110022.db2.gz YJTYRMXZXPDTHH-PXNSSMCTSA-N 2 1 350.510 3.738 20 0 FHADMP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319419 939111591 /nfs/dbraw/zinc/11/15/91/939111591.db2.gz AMWIAQGYTZQBQP-RXVVDRJESA-N 2 1 352.526 3.856 20 0 FHADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658353015 939123892 /nfs/dbraw/zinc/12/38/92/939123892.db2.gz BCGROCRIBPETAP-XXBNENTESA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658353015 939123894 /nfs/dbraw/zinc/12/38/94/939123894.db2.gz BCGROCRIBPETAP-XXBNENTESA-N 2 1 355.570 3.609 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179411699 939151343 /nfs/dbraw/zinc/15/13/43/939151343.db2.gz QRWXNKZVAFOSFF-UHFFFAOYSA-N 2 1 367.578 3.830 20 0 FHADMP CC(=O)N(c1nc(C[NH2+]CCC2CC[NH+](C)CC2)cs1)c1ccccc1 ZINC000638566761 945233712 /nfs/dbraw/zinc/23/37/12/945233712.db2.gz PLSSBDAXZKGNPR-UHFFFAOYSA-N 2 1 372.538 3.649 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427274702 945244310 /nfs/dbraw/zinc/24/43/10/945244310.db2.gz MWMVHNCAFRLNPJ-LJQANCHMSA-N 2 1 371.569 3.847 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427318532 945268474 /nfs/dbraw/zinc/26/84/74/945268474.db2.gz DNTLFZXVJXSZNX-HSALFYBXSA-N 2 1 371.569 3.561 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)s2)[C@@H](c2ccccc2)C1 ZINC000518269685 945274941 /nfs/dbraw/zinc/27/49/41/945274941.db2.gz KLHGKSKSIVMTPR-GOSISDBHSA-N 2 1 363.958 3.870 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)Cc2ccccc2)CC1 ZINC000685745670 939890659 /nfs/dbraw/zinc/89/06/59/939890659.db2.gz LKTLKBSHYQUMKN-QFIPXVFZSA-N 2 1 373.585 3.868 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000685745670 939890663 /nfs/dbraw/zinc/89/06/63/939890663.db2.gz LKTLKBSHYQUMKN-QFIPXVFZSA-N 2 1 373.585 3.868 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)c1 ZINC000061908378 939902862 /nfs/dbraw/zinc/90/28/62/939902862.db2.gz GQLHHBKBZKSLEQ-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000061908378 939902865 /nfs/dbraw/zinc/90/28/65/939902865.db2.gz GQLHHBKBZKSLEQ-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000061908378 939902867 /nfs/dbraw/zinc/90/28/67/939902867.db2.gz GQLHHBKBZKSLEQ-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427319855 945281966 /nfs/dbraw/zinc/28/19/66/945281966.db2.gz JUMDECQGQOJNCL-ZCNNSNEGSA-N 2 1 371.569 3.561 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@H]21 ZINC000375836176 939957689 /nfs/dbraw/zinc/95/76/89/939957689.db2.gz BJKWVRZFPTYKPA-ZIFCJYIRSA-N 2 1 356.539 3.600 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000414903404 945294754 /nfs/dbraw/zinc/29/47/54/945294754.db2.gz LYJWBUBIWTUDRD-AEFFLSMTSA-N 2 1 369.513 3.646 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000548933722 940089426 /nfs/dbraw/zinc/08/94/26/940089426.db2.gz YPRWIZWWPJPUBM-BJKOFHAPSA-N 2 1 374.532 3.839 20 0 FHADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507520570 945299918 /nfs/dbraw/zinc/29/99/18/945299918.db2.gz RLKFOFNCZSCSJR-WCIQWLHISA-N 2 1 356.535 3.590 20 0 FHADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507520569 945299960 /nfs/dbraw/zinc/29/99/60/945299960.db2.gz RLKFOFNCZSCSJR-NMLBUPMWSA-N 2 1 356.535 3.590 20 0 FHADMP CCc1oc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1C(=O)OC ZINC000570319326 940250491 /nfs/dbraw/zinc/25/04/91/940250491.db2.gz RSFGHRHILCZRHG-UHFFFAOYSA-N 2 1 358.482 3.712 20 0 FHADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135745 945308937 /nfs/dbraw/zinc/30/89/37/945308937.db2.gz ZYKTZHXRFHXCPH-KRWDZBQOSA-N 2 1 350.503 3.629 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OCC(F)(F)F ZINC000647497381 940375624 /nfs/dbraw/zinc/37/56/24/940375624.db2.gz FIGGDILIKIZORG-HUUCEWRRSA-N 2 1 360.420 3.586 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OCC(F)(F)F ZINC000647497381 940375626 /nfs/dbraw/zinc/37/56/26/940375626.db2.gz FIGGDILIKIZORG-HUUCEWRRSA-N 2 1 360.420 3.586 20 0 FHADMP CC[C@H]1C[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497669 940376004 /nfs/dbraw/zinc/37/60/04/940376004.db2.gz PXSBKZJRURFWBP-FUHWJXTLSA-N 2 1 360.523 3.895 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497669 940376005 /nfs/dbraw/zinc/37/60/05/940376005.db2.gz PXSBKZJRURFWBP-FUHWJXTLSA-N 2 1 360.523 3.895 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647497727 940376767 /nfs/dbraw/zinc/37/67/67/940376767.db2.gz SVIQGNVNKBFOPM-CTNGQTDRSA-N 2 1 353.510 3.837 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c(C)n2n1 ZINC000376162185 940392316 /nfs/dbraw/zinc/39/23/16/940392316.db2.gz LNQOYLKWIXUTIZ-DKZVUGQWSA-N 2 1 363.509 3.690 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431748779 940466197 /nfs/dbraw/zinc/46/61/97/940466197.db2.gz IVYNTEOZUZHXBQ-QFIPXVFZSA-N 2 1 367.537 3.836 20 0 FHADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850962 940467600 /nfs/dbraw/zinc/46/76/00/940467600.db2.gz XMENMOFBUDDFTF-OALUTQOASA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850962 940467602 /nfs/dbraw/zinc/46/76/02/940467602.db2.gz XMENMOFBUDDFTF-OALUTQOASA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850962 940467605 /nfs/dbraw/zinc/46/76/05/940467605.db2.gz XMENMOFBUDDFTF-OALUTQOASA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850962 940467606 /nfs/dbraw/zinc/46/76/06/940467606.db2.gz XMENMOFBUDDFTF-OALUTQOASA-N 2 1 362.477 3.624 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414088650 940494286 /nfs/dbraw/zinc/49/42/86/940494286.db2.gz CDVASCHEEYXWEQ-WAOWUJCRSA-N 2 1 353.510 3.664 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414088650 940494287 /nfs/dbraw/zinc/49/42/87/940494287.db2.gz CDVASCHEEYXWEQ-WAOWUJCRSA-N 2 1 353.510 3.664 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100857 940504380 /nfs/dbraw/zinc/50/43/80/940504380.db2.gz LOMQGKLAEWISNF-BJLQDIEVSA-N 2 1 352.526 3.781 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414104356 940508879 /nfs/dbraw/zinc/50/88/79/940508879.db2.gz FOYCMMIPQPVAMS-RXVVDRJESA-N 2 1 368.521 3.811 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115330 940603291 /nfs/dbraw/zinc/60/32/91/940603291.db2.gz MVAOURFIRIHBOK-TZIWHRDSSA-N 2 1 363.977 3.983 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1)C(C)C ZINC000519359138 945336524 /nfs/dbraw/zinc/33/65/24/945336524.db2.gz HJCVAZXIBLEUBU-RTBURBONSA-N 2 1 359.558 3.910 20 0 FHADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173867047 940680413 /nfs/dbraw/zinc/68/04/13/940680413.db2.gz HYXXZZHJQABOCB-MRXNPFEDSA-N 2 1 374.916 3.740 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173867047 940680422 /nfs/dbraw/zinc/68/04/22/940680422.db2.gz HYXXZZHJQABOCB-MRXNPFEDSA-N 2 1 374.916 3.740 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295111 940718357 /nfs/dbraw/zinc/71/83/57/940718357.db2.gz AIQACUQOHWDSKC-ROUUACIJSA-N 2 1 367.537 3.868 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297015 940723939 /nfs/dbraw/zinc/72/39/39/940723939.db2.gz VUAJJFXRAIHKRW-LJQANCHMSA-N 2 1 355.457 3.841 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000613492398 940775515 /nfs/dbraw/zinc/77/55/15/940775515.db2.gz LQFZNKKBMHCKCN-NHCUHLMSSA-N 2 1 363.590 3.612 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000170689678 940777227 /nfs/dbraw/zinc/77/72/27/940777227.db2.gz ZHZKUGSPUSUBQI-IYBDPMFKSA-N 2 1 359.539 3.618 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000170689678 940777229 /nfs/dbraw/zinc/77/72/29/940777229.db2.gz ZHZKUGSPUSUBQI-IYBDPMFKSA-N 2 1 359.539 3.618 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000414301045 940916728 /nfs/dbraw/zinc/91/67/28/940916728.db2.gz VLDXGJCHZQMILX-AGHHOFFYSA-N 2 1 356.485 3.544 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000414301045 940916730 /nfs/dbraw/zinc/91/67/30/940916730.db2.gz VLDXGJCHZQMILX-AGHHOFFYSA-N 2 1 356.485 3.544 20 0 FHADMP C[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316040 941012152 /nfs/dbraw/zinc/01/21/52/941012152.db2.gz OELHQJAXCIPWPH-QGZVFWFLSA-N 2 1 356.341 3.598 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC(F)F ZINC000647542998 941062964 /nfs/dbraw/zinc/06/29/64/941062964.db2.gz GFFDRRJYCNTUEZ-HOTGVXAUSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544403 941064225 /nfs/dbraw/zinc/06/42/25/941064225.db2.gz ZUCOOPIGDXMMIO-LSDHHAIUSA-N 2 1 354.441 3.508 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543403 941065343 /nfs/dbraw/zinc/06/53/43/941065343.db2.gz MQJBYLAJUQZEDL-HZPDHXFCSA-N 2 1 352.906 3.569 20 0 FHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543372 941065379 /nfs/dbraw/zinc/06/53/79/941065379.db2.gz LYZPYPKGKJKAIU-SJORKVTESA-N 2 1 358.917 3.942 20 0 FHADMP C[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1cccc(Cl)c1 ZINC000187078724 941077743 /nfs/dbraw/zinc/07/77/43/941077743.db2.gz UJXBNVXRECHEKV-GUDVDZBRSA-N 2 1 363.977 3.934 20 0 FHADMP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523099 941124623 /nfs/dbraw/zinc/12/46/23/941124623.db2.gz VLQWCFBCYHPPPD-JMLCCBQJSA-N 2 1 365.974 3.683 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285881 941147310 /nfs/dbraw/zinc/14/73/10/941147310.db2.gz SVCQTFIIIXWPRL-QVKFZJNVSA-N 2 1 360.461 3.593 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248422 941211739 /nfs/dbraw/zinc/21/17/39/941211739.db2.gz AIXZABIKLWQZGK-YJBOKZPZSA-N 2 1 355.457 3.696 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000166239986 941228073 /nfs/dbraw/zinc/22/80/73/941228073.db2.gz RAJMKXLAFYFLEE-GHTZIAJQSA-N 2 1 362.477 3.833 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425044963 941269705 /nfs/dbraw/zinc/26/97/05/941269705.db2.gz SHROIUVBDNWDHU-AWEZNQCLSA-N 2 1 364.559 3.503 20 0 FHADMP C[C@H]1CCCC[NH+]1CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425044963 941269709 /nfs/dbraw/zinc/26/97/09/941269709.db2.gz SHROIUVBDNWDHU-AWEZNQCLSA-N 2 1 364.559 3.503 20 0 FHADMP C[C@H]1CCCC[NH+]1CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425044963 941269713 /nfs/dbraw/zinc/26/97/13/941269713.db2.gz SHROIUVBDNWDHU-AWEZNQCLSA-N 2 1 364.559 3.503 20 0 FHADMP COC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CCOCC1 ZINC000188046864 941298951 /nfs/dbraw/zinc/29/89/51/941298951.db2.gz QCBUDAPYPFMHIA-NQIIRXRSSA-N 2 1 360.542 3.681 20 0 FHADMP c1cn(CCCC2CCN(Cn3ccc(-c4ccsc4)n3)CC2)cn1 ZINC000782941803 941315629 /nfs/dbraw/zinc/31/56/29/941315629.db2.gz CPWNUTQEPPEXTP-UHFFFAOYSA-N 2 1 355.511 3.958 20 0 FHADMP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636152 941369695 /nfs/dbraw/zinc/36/96/95/941369695.db2.gz DXKBHXPUJUDVHK-SBHAEUEKSA-N 2 1 361.599 3.515 20 0 FHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c2cc(N)ccc2O1 ZINC000415032915 941556953 /nfs/dbraw/zinc/55/69/53/941556953.db2.gz JJYHROQTYUPGLM-SXLOBPIMSA-N 2 1 351.494 3.954 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415034288 941557344 /nfs/dbraw/zinc/55/73/44/941557344.db2.gz CPNFQFNHAIKSNO-OXJNMPFZSA-N 2 1 358.917 3.798 20 0 FHADMP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040007 941560215 /nfs/dbraw/zinc/56/02/15/941560215.db2.gz JMVMGIDKHJTNER-GDBMZVCRSA-N 2 1 360.395 3.731 20 0 FHADMP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040007 941560217 /nfs/dbraw/zinc/56/02/17/941560217.db2.gz JMVMGIDKHJTNER-GDBMZVCRSA-N 2 1 360.395 3.731 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000111391623 941572881 /nfs/dbraw/zinc/57/28/81/941572881.db2.gz UNGNBZPACBQMPU-NOTZXAQLSA-N 2 1 363.505 3.930 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689945 941577175 /nfs/dbraw/zinc/57/71/75/941577175.db2.gz UMOFWLAYXZEVLI-IEBWSBKVSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689945 941577178 /nfs/dbraw/zinc/57/71/78/941577178.db2.gz UMOFWLAYXZEVLI-IEBWSBKVSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689945 941577180 /nfs/dbraw/zinc/57/71/80/941577180.db2.gz UMOFWLAYXZEVLI-IEBWSBKVSA-N 2 1 372.488 3.930 20 0 FHADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OCC(F)(F)F ZINC000415066157 941577938 /nfs/dbraw/zinc/57/79/38/941577938.db2.gz OAFBLXVKGMZTRK-HNNXBMFYSA-N 2 1 360.420 3.634 20 0 FHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415062108 941580290 /nfs/dbraw/zinc/58/02/90/941580290.db2.gz ZRDAUKUZGMPLCT-FHERZECASA-N 2 1 355.979 3.529 20 0 FHADMP [NH3+]C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCC1 ZINC000415071523 941585833 /nfs/dbraw/zinc/58/58/33/941585833.db2.gz WLFRVGAFMAWDKT-IBGZPJMESA-N 2 1 353.913 3.551 20 0 FHADMP [NH3+]C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCC1 ZINC000415071525 941585994 /nfs/dbraw/zinc/58/59/94/941585994.db2.gz WLFRVGAFMAWDKT-LJQANCHMSA-N 2 1 353.913 3.551 20 0 FHADMP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415077988 941587956 /nfs/dbraw/zinc/58/79/56/941587956.db2.gz GASSIEXSQAVXSD-ODAXIHTASA-N 2 1 371.569 3.733 20 0 FHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415127393 941615925 /nfs/dbraw/zinc/61/59/25/941615925.db2.gz MWFRBGOUJPNUSF-NRFANRHFSA-N 2 1 361.493 3.549 20 0 FHADMP NC1(C[NH2+]Cc2cc(Cl)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415124909 941620599 /nfs/dbraw/zinc/62/05/99/941620599.db2.gz DASFLQKJCZUBMV-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP C[C@H](c1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1)[NH+]1CCOCC1 ZINC000415174715 941650282 /nfs/dbraw/zinc/65/02/82/941650282.db2.gz DNMNRXSKBFVTFB-JKSUJKDBSA-N 2 1 368.481 3.744 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)co2)cc1 ZINC000377401442 941696038 /nfs/dbraw/zinc/69/60/38/941696038.db2.gz PBXRJBXFSFLUNS-UHFFFAOYSA-N 2 1 355.482 3.658 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000729318304 941716801 /nfs/dbraw/zinc/71/68/01/941716801.db2.gz NHHBTQLLNOCGMQ-HXUWFJFHSA-N 2 1 371.569 3.943 20 0 FHADMP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729330069 941718854 /nfs/dbraw/zinc/71/88/54/941718854.db2.gz ICAZSSCAGLIUAL-IFMALSPDSA-N 2 1 371.569 3.937 20 0 FHADMP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(Br)c1O ZINC000237104951 941738062 /nfs/dbraw/zinc/73/80/62/941738062.db2.gz ZNZXWCOITSFSHJ-UHFFFAOYSA-N 2 1 371.319 3.562 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000513207974 941781503 /nfs/dbraw/zinc/78/15/03/941781503.db2.gz JZRRSEHDVRZIEA-WSWWRLHASA-N 2 1 371.569 3.713 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000513207974 941781504 /nfs/dbraw/zinc/78/15/04/941781504.db2.gz JZRRSEHDVRZIEA-WSWWRLHASA-N 2 1 371.569 3.713 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000513207975 941781596 /nfs/dbraw/zinc/78/15/96/941781596.db2.gz JZRRSEHDVRZIEA-YJMBLLCNSA-N 2 1 371.569 3.713 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000513207975 941781599 /nfs/dbraw/zinc/78/15/99/941781599.db2.gz JZRRSEHDVRZIEA-YJMBLLCNSA-N 2 1 371.569 3.713 20 0 FHADMP C[C@H](O)c1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000377540044 941796492 /nfs/dbraw/zinc/79/64/92/941796492.db2.gz HJUAOZJXQZLFQM-HOTGVXAUSA-N 2 1 351.560 3.673 20 0 FHADMP C[C@H](O)c1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000377540044 941796494 /nfs/dbraw/zinc/79/64/94/941796494.db2.gz HJUAOZJXQZLFQM-HOTGVXAUSA-N 2 1 351.560 3.673 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000413505575 941868146 /nfs/dbraw/zinc/86/81/46/941868146.db2.gz VBCQAQBQMYXMHY-GHTZIAJQSA-N 2 1 357.542 3.617 20 0 FHADMP C[N@@H+](C1CC[NH+](C2CCOCC2)CC1)[C@@H]1CSCCc2ccccc21 ZINC000377656744 941878962 /nfs/dbraw/zinc/87/89/62/941878962.db2.gz YJKRFZMGAANHET-OAQYLSRUSA-N 2 1 360.567 3.592 20 0 FHADMP C[N@@H+](Cc1cnc(-c2ccco2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377699374 941908788 /nfs/dbraw/zinc/90/87/88/941908788.db2.gz LZVGKGVWVQOHGO-UHFFFAOYSA-N 2 1 354.479 3.899 20 0 FHADMP COCCOCc1ccc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1 ZINC000377701582 941912140 /nfs/dbraw/zinc/91/21/40/941912140.db2.gz UCHBTLLKSCPEHD-NRFANRHFSA-N 2 1 372.553 3.546 20 0 FHADMP CCC[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377704596 941913892 /nfs/dbraw/zinc/91/38/92/941913892.db2.gz RNAVAYJLUZUERS-SSWODZADSA-N 2 1 355.570 3.813 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3NCCC4)CC2)oc1C ZINC000894228846 941975347 /nfs/dbraw/zinc/97/53/47/941975347.db2.gz CXNUVFDNUCPTMZ-UHFFFAOYSA-N 2 1 368.525 3.651 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523824 941995450 /nfs/dbraw/zinc/99/54/50/941995450.db2.gz CLECJKXUHNWDNS-SIKLNZKXSA-N 2 1 352.526 3.862 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543931 942004905 /nfs/dbraw/zinc/00/49/05/942004905.db2.gz BCIIBOSDGFFBEP-AZUAARDMSA-N 2 1 362.521 3.964 20 0 FHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000237124449 942009270 /nfs/dbraw/zinc/00/92/70/942009270.db2.gz CIYRXQKIKYIFIU-UHFFFAOYSA-N 2 1 368.521 3.774 20 0 FHADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3ccccc3)s2)CC1 ZINC000513578002 942021981 /nfs/dbraw/zinc/02/19/81/942021981.db2.gz NDPMJETYKWLFNJ-QGZVFWFLSA-N 2 1 358.551 3.940 20 0 FHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893113947 942063295 /nfs/dbraw/zinc/06/32/95/942063295.db2.gz PVAHFZQIILLWBB-ZWKOTPCHSA-N 2 1 356.432 3.621 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000280232979 942141753 /nfs/dbraw/zinc/14/17/53/942141753.db2.gz HLTJSRWUFOWJCY-QGZVFWFLSA-N 2 1 371.491 3.644 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000415916583 942142398 /nfs/dbraw/zinc/14/23/98/942142398.db2.gz HOGKEFBBWPXGMQ-MJGOQNOKSA-N 2 1 358.530 3.524 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000415923547 942152850 /nfs/dbraw/zinc/15/28/50/942152850.db2.gz WKCVTFVOOHWTNS-KRWDZBQOSA-N 2 1 372.538 3.501 20 0 FHADMP CC[C@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@H+]1Cc1ccccc1 ZINC000415925986 942154821 /nfs/dbraw/zinc/15/48/21/942154821.db2.gz CDSZXJYVJKTAFY-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415945954 942178646 /nfs/dbraw/zinc/17/86/46/942178646.db2.gz SGDNNDVQFAWGQU-YLJYHZDGSA-N 2 1 366.509 3.753 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415962958 942202057 /nfs/dbraw/zinc/20/20/57/942202057.db2.gz UQTGHCGJUAJQMY-MLGOLLRUSA-N 2 1 372.435 3.501 20 0 FHADMP CCC[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415958545 942207920 /nfs/dbraw/zinc/20/79/20/942207920.db2.gz NQFSBFXISLKMLE-NRFANRHFSA-N 2 1 366.509 3.664 20 0 FHADMP COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420914847 942266405 /nfs/dbraw/zinc/26/64/05/942266405.db2.gz KMIDCOFQFMMNQV-NRFANRHFSA-N 2 1 366.505 3.517 20 0 FHADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420914847 942266407 /nfs/dbraw/zinc/26/64/07/942266407.db2.gz KMIDCOFQFMMNQV-NRFANRHFSA-N 2 1 366.505 3.517 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287311 /nfs/dbraw/zinc/28/73/11/942287311.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 2 1 369.475 3.697 20 0 FHADMP C[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053011 942289178 /nfs/dbraw/zinc/28/91/78/942289178.db2.gz QRBXYJYYIRQYGG-UHFFFAOYSA-N 2 1 372.900 3.522 20 0 FHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000501079943 942299282 /nfs/dbraw/zinc/29/92/82/942299282.db2.gz VNQVWWOEUUMXAK-QHCPKHFHSA-N 2 1 357.586 3.672 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584558487 942317919 /nfs/dbraw/zinc/31/79/19/942317919.db2.gz SEFPVHSPSIMHII-MOPGFXCFSA-N 2 1 364.896 3.799 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584558488 942318184 /nfs/dbraw/zinc/31/81/84/942318184.db2.gz SEFPVHSPSIMHII-OALUTQOASA-N 2 1 364.896 3.799 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSC2CCCCC2)CC1 ZINC000501139720 942325530 /nfs/dbraw/zinc/32/55/30/942325530.db2.gz CUERPCFBNHCDQL-KDURUIRLSA-N 2 1 353.620 3.543 20 0 FHADMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000378181475 942359316 /nfs/dbraw/zinc/35/93/16/942359316.db2.gz CNKWQXHLQNAAHM-MRXNPFEDSA-N 3 1 365.512 3.812 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1F ZINC000378199846 942379227 /nfs/dbraw/zinc/37/92/27/942379227.db2.gz JJXCIDBCQPDHOA-LIRRHRJNSA-N 2 1 366.440 3.587 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501285808 942387943 /nfs/dbraw/zinc/38/79/43/942387943.db2.gz RGUMXTXVJRXQTA-BVSLBCMMSA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000501285808 942387949 /nfs/dbraw/zinc/38/79/49/942387949.db2.gz RGUMXTXVJRXQTA-BVSLBCMMSA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000501285808 942387952 /nfs/dbraw/zinc/38/79/52/942387952.db2.gz RGUMXTXVJRXQTA-BVSLBCMMSA-N 2 1 371.569 3.935 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C[C@@H]1C ZINC000461081570 942443450 /nfs/dbraw/zinc/44/34/50/942443450.db2.gz AGGKLYSDWCHJLH-IOMROCGXSA-N 2 1 360.542 3.984 20 0 FHADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000236672079 942443988 /nfs/dbraw/zinc/44/39/88/942443988.db2.gz VRFPVFHSFRUQRV-IPQPSQTFSA-N 2 1 365.562 3.627 20 0 FHADMP Cc1ccc([C@@H](Cn2ccnc2)NCc2cn3ccnc3s2)c(C)c1 ZINC000893184323 942463155 /nfs/dbraw/zinc/46/31/55/942463155.db2.gz XADDUGCLFHEPFX-GOSISDBHSA-N 2 1 351.479 3.740 20 0 FHADMP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000501431238 942474884 /nfs/dbraw/zinc/47/48/84/942474884.db2.gz AVHLECXKKGRGPF-CTNGQTDRSA-N 2 1 357.542 3.733 20 0 FHADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000501460412 942494842 /nfs/dbraw/zinc/49/48/42/942494842.db2.gz GIXAPRVDCSDSES-AARRXVBRSA-N 2 1 350.506 3.563 20 0 FHADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000501460412 942494848 /nfs/dbraw/zinc/49/48/48/942494848.db2.gz GIXAPRVDCSDSES-AARRXVBRSA-N 2 1 350.506 3.563 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421343795 942496515 /nfs/dbraw/zinc/49/65/15/942496515.db2.gz QZADPSLSSNEDRH-CRAIPNDOSA-N 2 1 360.933 3.772 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000421343795 942496519 /nfs/dbraw/zinc/49/65/19/942496519.db2.gz QZADPSLSSNEDRH-CRAIPNDOSA-N 2 1 360.933 3.772 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000421370367 942521649 /nfs/dbraw/zinc/52/16/49/942521649.db2.gz ILVZJWDQFAXNQT-HSZRJFAPSA-N 2 1 357.586 3.918 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501617138 942576723 /nfs/dbraw/zinc/57/67/23/942576723.db2.gz GKMWFERHTQHQKP-OALUTQOASA-N 2 1 368.525 3.518 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000501617138 942576726 /nfs/dbraw/zinc/57/67/26/942576726.db2.gz GKMWFERHTQHQKP-OALUTQOASA-N 2 1 368.525 3.518 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501617140 942576832 /nfs/dbraw/zinc/57/68/32/942576832.db2.gz GKMWFERHTQHQKP-RBUKOAKNSA-N 2 1 368.525 3.518 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000501617140 942576835 /nfs/dbraw/zinc/57/68/35/942576835.db2.gz GKMWFERHTQHQKP-RBUKOAKNSA-N 2 1 368.525 3.518 20 0 FHADMP C[C@@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H](C)[NH3+] ZINC000420275123 942599979 /nfs/dbraw/zinc/59/99/79/942599979.db2.gz ZBQUALQTVQXXRS-QWHCGFSZSA-N 2 1 355.511 3.568 20 0 FHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccco1 ZINC000163965553 942602095 /nfs/dbraw/zinc/60/20/95/942602095.db2.gz WQDVLAPTBLZODM-QGZVFWFLSA-N 2 1 358.482 3.620 20 0 FHADMP C[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@H]1[NH3+] ZINC000420287545 942606050 /nfs/dbraw/zinc/60/60/50/942606050.db2.gz IDFBTUOGKUWPLS-SWLSCSKDSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@H]1[NH3+] ZINC000420287545 942606055 /nfs/dbraw/zinc/60/60/55/942606055.db2.gz IDFBTUOGKUWPLS-SWLSCSKDSA-N 2 1 360.914 3.885 20 0 FHADMP COc1ccccc1CCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000420313147 942617082 /nfs/dbraw/zinc/61/70/82/942617082.db2.gz PEJCZUUTHJUJEL-QGZVFWFLSA-N 2 1 359.539 3.504 20 0 FHADMP COc1ccccc1CCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000420313147 942617088 /nfs/dbraw/zinc/61/70/88/942617088.db2.gz PEJCZUUTHJUJEL-QGZVFWFLSA-N 2 1 359.539 3.504 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420316355 942619106 /nfs/dbraw/zinc/61/91/06/942619106.db2.gz YBGWQXWPAVLLEO-UVUJQTEASA-N 2 1 363.505 3.734 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420316355 942619108 /nfs/dbraw/zinc/61/91/08/942619108.db2.gz YBGWQXWPAVLLEO-UVUJQTEASA-N 2 1 363.505 3.734 20 0 FHADMP COc1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000420317613 942619400 /nfs/dbraw/zinc/61/94/00/942619400.db2.gz NMLMCIJFJQFNNN-GOSISDBHSA-N 2 1 354.494 3.706 20 0 FHADMP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320446 942620333 /nfs/dbraw/zinc/62/03/33/942620333.db2.gz QFFLJDMXVPZOIQ-QVKFZJNVSA-N 2 1 372.534 3.712 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340187 942623864 /nfs/dbraw/zinc/62/38/64/942623864.db2.gz MTDUBIPXOZSIRM-IPMKNSEASA-N 2 1 357.542 3.767 20 0 FHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420358492 942636553 /nfs/dbraw/zinc/63/65/53/942636553.db2.gz JEISYTYQSGYPTC-MRXNPFEDSA-N 3 1 369.475 3.601 20 0 FHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420358492 942636557 /nfs/dbraw/zinc/63/65/57/942636557.db2.gz JEISYTYQSGYPTC-MRXNPFEDSA-N 3 1 369.475 3.601 20 0 FHADMP COc1ccc(C2=CC[N@H+](CCCCn3cc[nH+]c3C)CC2)cc1OC ZINC000378365440 942656357 /nfs/dbraw/zinc/65/63/57/942656357.db2.gz JPZGBNZHWOLCHG-UHFFFAOYSA-N 2 1 355.482 3.778 20 0 FHADMP COc1ccc(C2=CC[N@@H+](CCCCn3cc[nH+]c3C)CC2)cc1OC ZINC000378365440 942656362 /nfs/dbraw/zinc/65/63/62/942656362.db2.gz JPZGBNZHWOLCHG-UHFFFAOYSA-N 2 1 355.482 3.778 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420408401 942664235 /nfs/dbraw/zinc/66/42/35/942664235.db2.gz WGFILJUJWIFECC-VQTJNVASSA-N 2 1 360.505 3.965 20 0 FHADMP CC(C)(C)[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1F ZINC000420407231 942664437 /nfs/dbraw/zinc/66/44/37/942664437.db2.gz OHFNAKQPMFWNPJ-UFYCRDLUSA-N 2 1 362.464 3.573 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1 ZINC000502749468 942715732 /nfs/dbraw/zinc/71/57/32/942715732.db2.gz NVWZJRJTEAYFQN-UHFFFAOYSA-N 2 1 366.465 3.616 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H](O)c1c(F)cccc1F ZINC000378398787 942717390 /nfs/dbraw/zinc/71/73/90/942717390.db2.gz DTFRYGQCGCWJJW-ICSRJNTNSA-N 2 1 352.469 3.773 20 0 FHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000182376611 942726491 /nfs/dbraw/zinc/72/64/91/942726491.db2.gz CGGFZPPAMJULNY-ROUUACIJSA-N 3 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000182376611 942726494 /nfs/dbraw/zinc/72/64/94/942726494.db2.gz CGGFZPPAMJULNY-ROUUACIJSA-N 2 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000182376611 942726497 /nfs/dbraw/zinc/72/64/97/942726497.db2.gz CGGFZPPAMJULNY-ROUUACIJSA-N 2 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000514080196 942733130 /nfs/dbraw/zinc/73/31/30/942733130.db2.gz OREYAXGPZXNSDJ-UHFFFAOYSA-N 2 1 371.569 3.622 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000514082729 942734163 /nfs/dbraw/zinc/73/41/63/942734163.db2.gz IDXDXDLNQDXRFM-UFYCRDLUSA-N 2 1 355.457 3.975 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979206 942735119 /nfs/dbraw/zinc/73/51/19/942735119.db2.gz JYDYBPAPWHDMFW-HSZRJFAPSA-N 2 1 371.569 3.527 20 0 FHADMP CC(C)CNC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659979206 942735122 /nfs/dbraw/zinc/73/51/22/942735122.db2.gz JYDYBPAPWHDMFW-HSZRJFAPSA-N 2 1 371.569 3.527 20 0 FHADMP CC(C)CNC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659979206 942735125 /nfs/dbraw/zinc/73/51/25/942735125.db2.gz JYDYBPAPWHDMFW-HSZRJFAPSA-N 2 1 371.569 3.527 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182491851 942747850 /nfs/dbraw/zinc/74/78/50/942747850.db2.gz FYHYIWLOAUSGCE-RBUKOAKNSA-N 3 1 359.558 3.674 20 0 FHADMP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182491851 942747854 /nfs/dbraw/zinc/74/78/54/942747854.db2.gz FYHYIWLOAUSGCE-RBUKOAKNSA-N 2 1 359.558 3.674 20 0 FHADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182491851 942747861 /nfs/dbraw/zinc/74/78/61/942747861.db2.gz FYHYIWLOAUSGCE-RBUKOAKNSA-N 2 1 359.558 3.674 20 0 FHADMP CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000514143016 942778586 /nfs/dbraw/zinc/77/85/86/942778586.db2.gz ZJWJNLMQGZINMZ-QGZVFWFLSA-N 2 1 372.340 3.588 20 0 FHADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642335 942821877 /nfs/dbraw/zinc/82/18/77/942821877.db2.gz GWLIOXWJUQGQCR-DENIHFKCSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642335 942821883 /nfs/dbraw/zinc/82/18/83/942821883.db2.gz GWLIOXWJUQGQCR-DENIHFKCSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000434642335 942821892 /nfs/dbraw/zinc/82/18/92/942821892.db2.gz GWLIOXWJUQGQCR-DENIHFKCSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000434642335 942821896 /nfs/dbraw/zinc/82/18/96/942821896.db2.gz GWLIOXWJUQGQCR-DENIHFKCSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000502919066 942855914 /nfs/dbraw/zinc/85/59/14/942855914.db2.gz OIGFUWGELDSIEI-QRVBRYPASA-N 2 1 374.573 3.535 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660011601 942858763 /nfs/dbraw/zinc/85/87/63/942858763.db2.gz PFIUVEJFMDNPMB-FCHUYYIVSA-N 2 1 371.569 3.525 20 0 FHADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363862139 942883914 /nfs/dbraw/zinc/88/39/14/942883914.db2.gz GWDUYBBRMYJAOC-SFHVURJKSA-N 3 1 361.549 3.543 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000503048263 942939448 /nfs/dbraw/zinc/93/94/48/942939448.db2.gz BBIOIQJZFNXPJA-CEXWTWQISA-N 2 1 374.573 3.535 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000503084630 942967102 /nfs/dbraw/zinc/96/71/02/942967102.db2.gz CRYDNUUBADAUNC-GOSISDBHSA-N 2 1 370.541 3.589 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000503084630 942967105 /nfs/dbraw/zinc/96/71/05/942967105.db2.gz CRYDNUUBADAUNC-GOSISDBHSA-N 2 1 370.541 3.589 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856178 942997641 /nfs/dbraw/zinc/99/76/41/942997641.db2.gz YLLKJRZLPOXUIF-KBXCAEBGSA-N 2 1 351.922 3.863 20 0 FHADMP C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000414858674 943053477 /nfs/dbraw/zinc/05/34/77/943053477.db2.gz SGUAXEATKNHDEP-MJGOQNOKSA-N 2 1 354.542 3.707 20 0 FHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000271811129 943053775 /nfs/dbraw/zinc/05/37/75/943053775.db2.gz KTEAVGPBVGNLDS-UHFFFAOYSA-N 2 1 369.896 3.944 20 0 FHADMP CN(c1ccccc1C[N@@H+](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000505580767 943078255 /nfs/dbraw/zinc/07/82/55/943078255.db2.gz AMNQFZBQXIUGEX-UHFFFAOYSA-N 2 1 355.501 3.988 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000414651761 943102513 /nfs/dbraw/zinc/10/25/13/943102513.db2.gz GDXVOIMVAWRJOR-IBGZPJMESA-N 2 1 360.505 3.937 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000272178625 943107135 /nfs/dbraw/zinc/10/71/35/943107135.db2.gz LCRLJHOQRKPYMJ-GOSISDBHSA-N 2 1 359.558 3.719 20 0 FHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656488 943117484 /nfs/dbraw/zinc/11/74/84/943117484.db2.gz FVTAZRCOBPBSJB-QAPCUYQASA-N 2 1 358.457 3.582 20 0 FHADMP CC[N@H+]1CCC[C@H]1CNCc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000236840895 943136307 /nfs/dbraw/zinc/13/63/07/943136307.db2.gz APKUEIAWDQYECH-IBGZPJMESA-N 2 1 354.494 3.945 20 0 FHADMP Cn1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000514602048 943140927 /nfs/dbraw/zinc/14/09/27/943140927.db2.gz DSGALXZFUKKYAM-HXUWFJFHSA-N 2 1 374.532 3.903 20 0 FHADMP Cn1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000514602048 943140931 /nfs/dbraw/zinc/14/09/31/943140931.db2.gz DSGALXZFUKKYAM-HXUWFJFHSA-N 2 1 374.532 3.903 20 0 FHADMP c1ccc(-c2noc([C@@H](c3ccccc3)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000514673381 943205220 /nfs/dbraw/zinc/20/52/20/943205220.db2.gz JHAFCWKSFCEUHF-QHAWAJNXSA-N 2 1 374.488 3.757 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1 ZINC000414676246 943208531 /nfs/dbraw/zinc/20/85/31/943208531.db2.gz RYOKHSHTVHDANP-LJQANCHMSA-N 2 1 360.505 3.889 20 0 FHADMP CCOc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC(F)F ZINC000422694744 943234293 /nfs/dbraw/zinc/23/42/93/943234293.db2.gz OLFPTJQACBUAFD-WMLDXEAASA-N 2 1 364.436 3.735 20 0 FHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc2ccccc2c1 ZINC000511592455 943239368 /nfs/dbraw/zinc/23/93/68/943239368.db2.gz LMDCLYRPBOELPZ-UHFFFAOYSA-N 2 1 367.537 3.651 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706306 943241085 /nfs/dbraw/zinc/24/10/85/943241085.db2.gz DVCNVFGHVMSHEO-VGSWGCGISA-N 2 1 365.521 3.863 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)c1 ZINC000422733584 943250622 /nfs/dbraw/zinc/25/06/22/943250622.db2.gz BKBGFEXXSCSDDR-GOTSBHOMSA-N 2 1 367.537 3.730 20 0 FHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422715903 943254834 /nfs/dbraw/zinc/25/48/34/943254834.db2.gz SUXZPLPOMNPYIA-PKOBYXMFSA-N 2 1 366.509 3.734 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422716334 943255671 /nfs/dbraw/zinc/25/56/71/943255671.db2.gz UGMFFAMFYJGLJM-WOJBJXKFSA-N 2 1 355.457 3.828 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744046 943268059 /nfs/dbraw/zinc/26/80/59/943268059.db2.gz JRAUGNUAQDXQPF-UVUJQTEASA-N 2 1 371.569 3.733 20 0 FHADMP CCn1nc(C)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000093006792 943269281 /nfs/dbraw/zinc/26/92/81/943269281.db2.gz CGEQUUYBGOXDAT-UHFFFAOYSA-N 2 1 354.542 3.864 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768797 943275954 /nfs/dbraw/zinc/27/59/54/943275954.db2.gz UYLKECMGERJJEP-JZGRTCEGSA-N 2 1 369.475 3.676 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)C1C[NH2+]C1 ZINC000422786635 943282487 /nfs/dbraw/zinc/28/24/87/943282487.db2.gz KZZIVOHPKZZGEM-GFCCVEGCSA-N 2 1 351.372 3.590 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422829303 943297344 /nfs/dbraw/zinc/29/73/44/943297344.db2.gz BRKGSBJHJYESLA-DSKINZAPSA-N 2 1 357.567 3.508 20 0 FHADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CCCC2)cc1C ZINC000422840598 943301898 /nfs/dbraw/zinc/30/18/98/943301898.db2.gz UBUUJGJJDVXRMC-KRWDZBQOSA-N 2 1 366.509 3.961 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417038802 943304999 /nfs/dbraw/zinc/30/49/99/943304999.db2.gz JENHSUWXDGSXKJ-ZVDOUQERSA-N 2 1 374.573 3.524 20 0 FHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813114 943317110 /nfs/dbraw/zinc/31/71/10/943317110.db2.gz XLPXNEODGRQYCL-UONOGXRCSA-N 2 1 357.311 3.841 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422873800 943322439 /nfs/dbraw/zinc/32/24/39/943322439.db2.gz BCLSOFLZZKXEAO-MSOLQXFVSA-N 3 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422873800 943322443 /nfs/dbraw/zinc/32/24/43/943322443.db2.gz BCLSOFLZZKXEAO-MSOLQXFVSA-N 2 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422873800 943322446 /nfs/dbraw/zinc/32/24/46/943322446.db2.gz BCLSOFLZZKXEAO-MSOLQXFVSA-N 2 1 366.553 3.931 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422901092 943324276 /nfs/dbraw/zinc/32/42/76/943324276.db2.gz BJORKSOIEPCCLC-QAPCUYQASA-N 2 1 358.917 3.853 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NC1(C[NH3+])CCCC1)C1CCCCC1 ZINC000414703585 943331416 /nfs/dbraw/zinc/33/14/16/943331416.db2.gz CMAHFTMIBPSUNH-UHFFFAOYSA-N 2 1 358.530 3.844 20 0 FHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422927547 943334429 /nfs/dbraw/zinc/33/44/29/943334429.db2.gz GRBYSPWAERFEBG-SQGPQFPESA-N 2 1 356.853 3.619 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422918909 943341606 /nfs/dbraw/zinc/34/16/06/943341606.db2.gz IXFABADBTFBXGU-XYEHWOGUSA-N 2 1 357.542 3.630 20 0 FHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503745492 943352603 /nfs/dbraw/zinc/35/26/03/943352603.db2.gz ZWZSMVMZDYSXRX-QUCCMNQESA-N 2 1 374.573 3.680 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374273 943355603 /nfs/dbraw/zinc/35/56/03/943355603.db2.gz PXIZCIMUQPTWSY-HZPDHXFCSA-N 2 1 352.507 3.770 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423003289 943361510 /nfs/dbraw/zinc/36/15/10/943361510.db2.gz HHFBAHLYJCOTLU-RJGXRXQPSA-N 3 1 367.537 3.922 20 0 FHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423003289 943361516 /nfs/dbraw/zinc/36/15/16/943361516.db2.gz HHFBAHLYJCOTLU-RJGXRXQPSA-N 2 1 367.537 3.922 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002976 943362036 /nfs/dbraw/zinc/36/20/36/943362036.db2.gz KKHCOBBPOPUBFI-BBTUJRGHSA-N 3 1 366.553 3.800 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002978 943362093 /nfs/dbraw/zinc/36/20/93/943362093.db2.gz KKHCOBBPOPUBFI-LVCYWYKZSA-N 3 1 366.553 3.800 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000435369315 943362755 /nfs/dbraw/zinc/36/27/55/943362755.db2.gz DLATUAIRVDSAQY-HNAYVOBHSA-N 2 1 350.466 3.610 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000435369315 943362760 /nfs/dbraw/zinc/36/27/60/943362760.db2.gz DLATUAIRVDSAQY-HNAYVOBHSA-N 2 1 350.466 3.610 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377967 943366614 /nfs/dbraw/zinc/36/66/14/943366614.db2.gz BQCIBXLQQRGDOQ-DNVCBOLYSA-N 2 1 358.457 3.582 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377967 943366622 /nfs/dbraw/zinc/36/66/22/943366622.db2.gz BQCIBXLQQRGDOQ-DNVCBOLYSA-N 2 1 358.457 3.582 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435378896 943368746 /nfs/dbraw/zinc/36/87/46/943368746.db2.gz GYAGKZOICZAJMQ-FQEVSTJZSA-N 2 1 360.505 3.640 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435378896 943368751 /nfs/dbraw/zinc/36/87/51/943368751.db2.gz GYAGKZOICZAJMQ-FQEVSTJZSA-N 2 1 360.505 3.640 20 0 FHADMP C[N@H+]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022946 943369488 /nfs/dbraw/zinc/36/94/88/943369488.db2.gz ISHIISYELWPADL-FDPIWHGQSA-N 2 1 353.913 3.722 20 0 FHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000423044431 943375556 /nfs/dbraw/zinc/37/55/56/943375556.db2.gz BFLORJYUQBWFRD-KBAYOESNSA-N 2 1 355.551 3.893 20 0 FHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423061566 943378758 /nfs/dbraw/zinc/37/87/58/943378758.db2.gz KYIMVXSIBKNBJG-YTFSRNRJSA-N 2 1 350.506 3.909 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435394590 943380057 /nfs/dbraw/zinc/38/00/57/943380057.db2.gz OCHCXHCMZPQXTL-QGZVFWFLSA-N 2 1 370.541 3.745 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435394590 943380064 /nfs/dbraw/zinc/38/00/64/943380064.db2.gz OCHCXHCMZPQXTL-QGZVFWFLSA-N 2 1 370.541 3.745 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414716692 943388702 /nfs/dbraw/zinc/38/87/02/943388702.db2.gz SOWDVJIEKAJCNY-SJLPKXTDSA-N 2 1 358.530 3.700 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000186918184 943390889 /nfs/dbraw/zinc/39/08/89/943390889.db2.gz RZEWQKUOTZVORQ-FQEVSTJZSA-N 2 1 369.553 3.540 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000186918184 943390896 /nfs/dbraw/zinc/39/08/96/943390896.db2.gz RZEWQKUOTZVORQ-FQEVSTJZSA-N 2 1 369.553 3.540 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122571 943397505 /nfs/dbraw/zinc/39/75/05/943397505.db2.gz KAIPUXBCPBOAKT-MBDNFAEBSA-N 2 1 359.558 3.587 20 0 FHADMP CC[C@H](C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420332 943400605 /nfs/dbraw/zinc/40/06/05/943400605.db2.gz CQZFUZVHCSLFEW-UYAOXDASSA-N 2 1 352.526 3.558 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423105483 943401130 /nfs/dbraw/zinc/40/11/30/943401130.db2.gz NNGJDGJJDXPDKV-INIZCTEOSA-N 2 1 362.477 3.674 20 0 FHADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423104792 943402164 /nfs/dbraw/zinc/40/21/64/943402164.db2.gz MRNDSXJGGOKJJR-PCCBWWKXSA-N 2 1 351.494 3.671 20 0 FHADMP CCc1nc2cc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000423111346 943404306 /nfs/dbraw/zinc/40/43/06/943404306.db2.gz IWNNQCCIPRBPPL-UZLBHIALSA-N 2 1 362.521 3.982 20 0 FHADMP Fc1cccc(CCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000503918013 943408129 /nfs/dbraw/zinc/40/81/29/943408129.db2.gz NZPXXSIDWFOKTM-GOSISDBHSA-N 2 1 359.514 3.859 20 0 FHADMP COC(=O)c1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000514942451 943408770 /nfs/dbraw/zinc/40/87/70/943408770.db2.gz ZZEKGOXUTADZGK-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000514942451 943408773 /nfs/dbraw/zinc/40/87/73/943408773.db2.gz ZZEKGOXUTADZGK-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000514942451 943408776 /nfs/dbraw/zinc/40/87/76/943408776.db2.gz ZZEKGOXUTADZGK-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000514942451 943408778 /nfs/dbraw/zinc/40/87/78/943408778.db2.gz ZZEKGOXUTADZGK-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cccc(C)c1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431483 943409594 /nfs/dbraw/zinc/40/95/94/943409594.db2.gz DMUIZFCNSVCEFK-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cccc(C)c1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431483 943409596 /nfs/dbraw/zinc/40/95/96/943409596.db2.gz DMUIZFCNSVCEFK-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435437639 943416014 /nfs/dbraw/zinc/41/60/14/943416014.db2.gz KWDIBQIEPQAHTB-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435437639 943416019 /nfs/dbraw/zinc/41/60/19/943416019.db2.gz KWDIBQIEPQAHTB-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000503986614 943442875 /nfs/dbraw/zinc/44/28/75/943442875.db2.gz LWGIGDASHQAIQE-PZJWPPBQSA-N 2 1 374.573 3.582 20 0 FHADMP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414727424 943457352 /nfs/dbraw/zinc/45/73/52/943457352.db2.gz BCMZHDJBPSMHFG-LSDHHAIUSA-N 2 1 371.447 3.742 20 0 FHADMP COc1ccc(C2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000414870164 943466099 /nfs/dbraw/zinc/46/60/99/943466099.db2.gz CHDHXBWJRYGXAY-UHFFFAOYSA-N 2 1 353.510 3.886 20 0 FHADMP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293908 943475321 /nfs/dbraw/zinc/47/53/21/943475321.db2.gz SMCQBKWONVNEKL-RBUKOAKNSA-N 2 1 351.538 3.892 20 0 FHADMP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414733822 943481997 /nfs/dbraw/zinc/48/19/97/943481997.db2.gz KGSOCUWSMFLBTP-KBPBESRZSA-N 2 1 362.905 3.589 20 0 FHADMP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414736214 943485653 /nfs/dbraw/zinc/48/56/53/943485653.db2.gz MUHSBEHYAJCHTJ-STQMWFEESA-N 2 1 358.313 3.642 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000423381370 943496652 /nfs/dbraw/zinc/49/66/52/943496652.db2.gz ZNTKWWJTLHCXLN-YTBPQBKGSA-N 2 1 364.480 3.595 20 0 FHADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C(C)C)c(Br)c1 ZINC000423407899 943509184 /nfs/dbraw/zinc/50/91/84/943509184.db2.gz WMOUGRWKVTXMML-CSMYWGQOSA-N 2 1 355.320 3.742 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414746792 943525069 /nfs/dbraw/zinc/52/50/69/943525069.db2.gz MCGQKQABWKUPOP-HSMVNMDESA-N 2 1 359.297 3.527 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414746792 943525071 /nfs/dbraw/zinc/52/50/71/943525071.db2.gz MCGQKQABWKUPOP-HSMVNMDESA-N 2 1 359.297 3.527 20 0 FHADMP CCOc1ccccc1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435624600 943525533 /nfs/dbraw/zinc/52/55/33/943525533.db2.gz FZTCECMDLZBKIH-HXUWFJFHSA-N 2 1 369.509 3.503 20 0 FHADMP CCOc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435624600 943525538 /nfs/dbraw/zinc/52/55/38/943525538.db2.gz FZTCECMDLZBKIH-HXUWFJFHSA-N 2 1 369.509 3.503 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000423506950 943531521 /nfs/dbraw/zinc/53/15/21/943531521.db2.gz JARWSXBGLURBMW-QHGAOEGBSA-N 2 1 353.510 3.814 20 0 FHADMP c1ccc(C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423508568 943532243 /nfs/dbraw/zinc/53/22/43/943532243.db2.gz KUTSCXGRDMSKQD-KXTRFFEISA-N 2 1 363.549 3.776 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1Cl ZINC000423509655 943533023 /nfs/dbraw/zinc/53/30/23/943533023.db2.gz LSEFYYKRRUZYNG-JEYLPNPQSA-N 2 1 356.341 3.860 20 0 FHADMP C[C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1Cc1ccccc1 ZINC000423530968 943538631 /nfs/dbraw/zinc/53/86/31/943538631.db2.gz RYPFMRCCFTVPFI-ISPRVBGISA-N 2 1 367.581 3.783 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515882 943542815 /nfs/dbraw/zinc/54/28/15/943542815.db2.gz XNVUTKYUQYPPOI-HTAPYJJXSA-N 3 1 355.526 3.540 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000423520639 943544655 /nfs/dbraw/zinc/54/46/55/943544655.db2.gz RSLXLGJVSYCWRY-NNGSBXSVSA-N 2 1 355.448 3.572 20 0 FHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423521748 943544938 /nfs/dbraw/zinc/54/49/38/943544938.db2.gz SWJZKRSCOOUVKQ-AOMIVXANSA-N 2 1 371.569 3.830 20 0 FHADMP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423524000 943545604 /nfs/dbraw/zinc/54/56/04/943545604.db2.gz WRJJCXDABXCDHI-WTNGLUPJSA-N 2 1 368.352 3.787 20 0 FHADMP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2ccccc2o1 ZINC000423525232 943547411 /nfs/dbraw/zinc/54/74/11/943547411.db2.gz XYZNPRDQWGGMRY-AJTFCVKESA-N 2 1 355.526 3.936 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@@H]3C2)cc1 ZINC000423540991 943551763 /nfs/dbraw/zinc/55/17/63/943551763.db2.gz KIPNJGPAXQTHOE-DLFLOYDBSA-N 3 1 367.581 3.655 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@H]3C2)cc1 ZINC000423540993 943551910 /nfs/dbraw/zinc/55/19/10/943551910.db2.gz KIPNJGPAXQTHOE-ISGSKPSGSA-N 3 1 367.581 3.655 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423573160 943560764 /nfs/dbraw/zinc/56/07/64/943560764.db2.gz YZRPHNJNJHEONE-YJBOKZPZSA-N 2 1 350.478 3.566 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423573158 943560788 /nfs/dbraw/zinc/56/07/88/943560788.db2.gz YZRPHNJNJHEONE-MAUKXSAKSA-N 2 1 350.478 3.566 20 0 FHADMP CCC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423579735 943563089 /nfs/dbraw/zinc/56/30/89/943563089.db2.gz WSEBESWHWCILHN-FQEVSTJZSA-N 2 1 352.526 3.506 20 0 FHADMP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423580691 943563583 /nfs/dbraw/zinc/56/35/83/943563583.db2.gz YDCDANJNUITVJX-MRXNPFEDSA-N 2 1 359.464 3.609 20 0 FHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000435749605 943583858 /nfs/dbraw/zinc/58/38/58/943583858.db2.gz VBWAFULOKNLWAJ-HXUWFJFHSA-N 2 1 363.590 3.800 20 0 FHADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000414755420 943587394 /nfs/dbraw/zinc/58/73/94/943587394.db2.gz PATIIEYFUOTCAV-MRXNPFEDSA-N 2 1 358.357 3.527 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000435739157 943589810 /nfs/dbraw/zinc/58/98/10/943589810.db2.gz WBTPXUZSPNKBKT-SFHVURJKSA-N 2 1 359.539 3.641 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000435739157 943589813 /nfs/dbraw/zinc/58/98/13/943589813.db2.gz WBTPXUZSPNKBKT-SFHVURJKSA-N 2 1 359.539 3.641 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423729285 943605945 /nfs/dbraw/zinc/60/59/45/943605945.db2.gz NSCNCAVKCFMEFL-PIKOESSRSA-N 2 1 357.542 3.576 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773977 943729715 /nfs/dbraw/zinc/72/97/15/943729715.db2.gz FAOCPYWZMOYLMY-JKSUJKDBSA-N 2 1 352.906 3.569 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)cc1 ZINC000516887249 943796770 /nfs/dbraw/zinc/79/67/70/943796770.db2.gz SYOLETJZULGOKM-ZDUSSCGKSA-N 2 1 370.403 3.748 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nccc2ccccc21 ZINC000289774882 943803142 /nfs/dbraw/zinc/80/31/42/943803142.db2.gz NQPZEFAKBIJHMC-IBGZPJMESA-N 2 1 374.532 3.833 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCc3ccccn3)cc1)CC[NH2+]CC2 ZINC000424288604 943820350 /nfs/dbraw/zinc/82/03/50/943820350.db2.gz KTVTXTHGQGCSOG-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847026 /nfs/dbraw/zinc/84/70/26/943847026.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 2 1 365.512 3.953 20 0 FHADMP COc1cccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424301922 943851322 /nfs/dbraw/zinc/85/13/22/943851322.db2.gz YIBPAYSPRIJIKQ-OAHLLOKOSA-N 2 1 357.523 3.783 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784206 943867089 /nfs/dbraw/zinc/86/70/89/943867089.db2.gz QWWMIIQAICVBMO-SJORKVTESA-N 2 1 358.917 3.656 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785242 943876387 /nfs/dbraw/zinc/87/63/87/943876387.db2.gz SFBLQKDDQWATTI-SJORKVTESA-N 2 1 357.523 3.544 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779305 943876745 /nfs/dbraw/zinc/87/67/45/943876745.db2.gz GSHJYMXMBSNOQP-LJQANCHMSA-N 2 1 371.569 3.865 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368894 943881448 /nfs/dbraw/zinc/88/14/48/943881448.db2.gz AQKOZCKXSQFQHN-GOSISDBHSA-N 2 1 352.526 3.960 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000424426627 943922455 /nfs/dbraw/zinc/92/24/55/943922455.db2.gz ARBLAOKMZJOOIY-UHFFFAOYSA-N 2 1 366.509 3.582 20 0 FHADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790527 943939243 /nfs/dbraw/zinc/93/92/43/943939243.db2.gz ZZIOKPACNPQNKW-GJZGRUSLSA-N 2 1 360.395 3.588 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CC12CCOCC2 ZINC000414791804 943944581 /nfs/dbraw/zinc/94/45/81/943944581.db2.gz RCQORAPUWORSQD-OAHLLOKOSA-N 2 1 360.498 3.742 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1ccc(C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000436045406 943968025 /nfs/dbraw/zinc/96/80/25/943968025.db2.gz AHFULKROOMMGQG-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1ccc(C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000436045406 943968027 /nfs/dbraw/zinc/96/80/27/943968027.db2.gz AHFULKROOMMGQG-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515521821 943975125 /nfs/dbraw/zinc/97/51/25/943975125.db2.gz XOAWWBXUKOZDQE-OTWHNJEPSA-N 2 1 373.585 3.947 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1cc(C)cc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000436057584 943978988 /nfs/dbraw/zinc/97/89/88/943978988.db2.gz YLENBIUDCNDKQG-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1cc(C)cc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000436057584 943978990 /nfs/dbraw/zinc/97/89/90/943978990.db2.gz YLENBIUDCNDKQG-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP CCCCc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414799004 943980834 /nfs/dbraw/zinc/98/08/34/943980834.db2.gz ZWAPEWKTMSEBRW-QGZVFWFLSA-N 2 1 356.510 3.963 20 0 FHADMP C[NH+](C)[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)c1ccccc1 ZINC000517261118 944140422 /nfs/dbraw/zinc/14/04/22/944140422.db2.gz YAHHLQDLNVEXID-FQEVSTJZSA-N 2 1 362.477 3.983 20 0 FHADMP C[NH+](C)[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)c1ccccc1 ZINC000517261119 944140727 /nfs/dbraw/zinc/14/07/27/944140727.db2.gz YAHHLQDLNVEXID-HXUWFJFHSA-N 2 1 362.477 3.983 20 0 FHADMP COCCC1(C[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCCCC1 ZINC000436253991 944147022 /nfs/dbraw/zinc/14/70/22/944147022.db2.gz QSPPIIZOMGBTLO-UHFFFAOYSA-N 2 1 366.590 3.987 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000500140610 944162059 /nfs/dbraw/zinc/16/20/59/944162059.db2.gz QYIFAEJACVHAFC-HSZRJFAPSA-N 2 1 355.570 3.945 20 0 FHADMP C[C@H](CCc1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942802 944299505 /nfs/dbraw/zinc/29/95/05/944299505.db2.gz GUMIQAZYGMOGRW-NFBKMPQASA-N 2 1 352.522 3.577 20 0 FHADMP C[C@H](CCc1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942802 944299506 /nfs/dbraw/zinc/29/95/06/944299506.db2.gz GUMIQAZYGMOGRW-NFBKMPQASA-N 2 1 352.522 3.577 20 0 FHADMP C[C@H](CCc1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425942802 944299509 /nfs/dbraw/zinc/29/95/09/944299509.db2.gz GUMIQAZYGMOGRW-NFBKMPQASA-N 2 1 352.522 3.577 20 0 FHADMP C[C@H](CCc1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425942802 944299514 /nfs/dbraw/zinc/29/95/14/944299514.db2.gz GUMIQAZYGMOGRW-NFBKMPQASA-N 2 1 352.522 3.577 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC(C)(C)CCC[NH3+])c1 ZINC000414920529 944303847 /nfs/dbraw/zinc/30/38/47/944303847.db2.gz ZPLCMEQWQLATMM-UHFFFAOYSA-N 2 1 357.502 3.694 20 0 FHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)C[NH+](C)C ZINC000425943057 944311344 /nfs/dbraw/zinc/31/13/44/944311344.db2.gz PMLQDVYWJJWFMG-QWRGUYRKSA-N 2 1 352.372 3.738 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C)CC[C@@H]2C)c1 ZINC000473731183 944317584 /nfs/dbraw/zinc/31/75/84/944317584.db2.gz DRUZWDCYZCKYMZ-IBGZPJMESA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)c1 ZINC000473731183 944317594 /nfs/dbraw/zinc/31/75/94/944317594.db2.gz DRUZWDCYZCKYMZ-IBGZPJMESA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000473731183 944317601 /nfs/dbraw/zinc/31/76/01/944317601.db2.gz DRUZWDCYZCKYMZ-IBGZPJMESA-N 2 1 374.573 3.544 20 0 FHADMP Cc1nccn1CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835687 944333722 /nfs/dbraw/zinc/33/37/22/944333722.db2.gz GCUVJKMEOOODET-QFIPXVFZSA-N 2 1 366.553 3.814 20 0 FHADMP CCOC(=O)CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167975552 944333795 /nfs/dbraw/zinc/33/37/95/944333795.db2.gz RZURYHHAWBKKMB-FRIKZZABSA-N 2 1 370.537 3.677 20 0 FHADMP CC1(C)C[N@@H+](Cc2cccnc2N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834970 944339488 /nfs/dbraw/zinc/33/94/88/944339488.db2.gz APFYEWQAAQMOFA-OAQYLSRUSA-N 2 1 364.537 3.786 20 0 FHADMP Cc1nnsc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835796 944345016 /nfs/dbraw/zinc/34/50/16/944345016.db2.gz HNETZYOVYMBEFE-FQEVSTJZSA-N 2 1 370.566 3.969 20 0 FHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)Nc1ccc(F)cc1 ZINC001167975792 944362700 /nfs/dbraw/zinc/36/27/00/944362700.db2.gz WCGSAVWNTZJDHO-VTHDOGFWSA-N 2 1 373.516 3.784 20 0 FHADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)Nc1ccc(F)cc1 ZINC001167975792 944362709 /nfs/dbraw/zinc/36/27/09/944362709.db2.gz WCGSAVWNTZJDHO-VTHDOGFWSA-N 2 1 373.516 3.784 20 0 FHADMP Brc1ccc2c(c1)C=C(C[NH2+]CCC[NH+]1CCCCC1)CO2 ZINC000517540941 944371484 /nfs/dbraw/zinc/37/14/84/944371484.db2.gz QLRRUSAUNUGYCY-UHFFFAOYSA-N 2 1 365.315 3.691 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000390538510 944397501 /nfs/dbraw/zinc/39/75/01/944397501.db2.gz GUIZXHRCKNDVIC-NRFANRHFSA-N 2 1 354.494 3.791 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000390538510 944397505 /nfs/dbraw/zinc/39/75/05/944397505.db2.gz GUIZXHRCKNDVIC-NRFANRHFSA-N 2 1 354.494 3.791 20 0 FHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001167978133 944427931 /nfs/dbraw/zinc/42/79/31/944427931.db2.gz KJWRZKPVGHITMY-RKKYOWQMSA-N 2 1 368.521 3.846 20 0 FHADMP O=c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cccn1C(F)F ZINC000638598520 944428320 /nfs/dbraw/zinc/42/83/20/944428320.db2.gz FZXXXPIEWBVNDW-YQQQUEKLSA-N 2 1 373.447 3.529 20 0 FHADMP O=c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccn1C(F)F ZINC000638598520 944428323 /nfs/dbraw/zinc/42/83/23/944428323.db2.gz FZXXXPIEWBVNDW-YQQQUEKLSA-N 2 1 373.447 3.529 20 0 FHADMP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977899 944433394 /nfs/dbraw/zinc/43/33/94/944433394.db2.gz IOJYQMGATAQJIZ-FRIKZZABSA-N 2 1 354.538 3.730 20 0 FHADMP Cn1cncc1CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838937 944445867 /nfs/dbraw/zinc/44/58/67/944445867.db2.gz VTULVWJNMUXQOV-QFIPXVFZSA-N 2 1 366.553 3.585 20 0 FHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323832 944459241 /nfs/dbraw/zinc/45/92/41/944459241.db2.gz DGVONTGFGQKCKM-PBHICJAKSA-N 2 1 351.332 3.801 20 0 FHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000467366821 944463541 /nfs/dbraw/zinc/46/35/41/944463541.db2.gz AZEQKDFWMUNTNE-JKSUJKDBSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000467366821 944463545 /nfs/dbraw/zinc/46/35/45/944463545.db2.gz AZEQKDFWMUNTNE-JKSUJKDBSA-N 2 1 358.448 3.727 20 0 FHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261949746 944468742 /nfs/dbraw/zinc/46/87/42/944468742.db2.gz NTWSNEZDJJOPSG-SJPCQFCGSA-N 2 1 364.415 3.810 20 0 FHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261949746 944468748 /nfs/dbraw/zinc/46/87/48/944468748.db2.gz NTWSNEZDJJOPSG-SJPCQFCGSA-N 2 1 364.415 3.810 20 0 FHADMP CCCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000414888728 944491372 /nfs/dbraw/zinc/49/13/72/944491372.db2.gz RQVQIDGSKOUKES-UHFFFAOYSA-N 2 1 371.319 3.608 20 0 FHADMP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000414888825 944501834 /nfs/dbraw/zinc/50/18/34/944501834.db2.gz YEERYACBWAHZNZ-UHFFFAOYSA-N 2 1 368.706 3.767 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000518595397 944523468 /nfs/dbraw/zinc/52/34/68/944523468.db2.gz WOQQITDPHCCYNI-RTBURBONSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350342 944528706 /nfs/dbraw/zinc/52/87/06/944528706.db2.gz HMBKTVNYMBGUQD-FUHWJXTLSA-N 2 1 358.555 3.704 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1OCCc2ccccc21 ZINC000398156362 944529931 /nfs/dbraw/zinc/52/99/31/944529931.db2.gz QUYWCLKWRYURLN-YFXJRYMSSA-N 2 1 350.506 3.801 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846405 944537067 /nfs/dbraw/zinc/53/70/67/944537067.db2.gz XKNXLJIROCQEAB-IBGZPJMESA-N 2 1 356.913 3.956 20 0 FHADMP Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175892 944559814 /nfs/dbraw/zinc/55/98/14/944559814.db2.gz XDJDTFUZXQKYMN-GVDBMIGSSA-N 2 1 368.949 3.584 20 0 FHADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCC(F)(F)F ZINC000608065538 944597712 /nfs/dbraw/zinc/59/77/12/944597712.db2.gz DFTMSHCJMUHFGS-MQVJKMGUSA-N 2 1 372.431 3.741 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000426382151 944620727 /nfs/dbraw/zinc/62/07/27/944620727.db2.gz YNYONAQIERGFMJ-UHFFFAOYSA-N 2 1 362.521 3.942 20 0 FHADMP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000426017840 944630488 /nfs/dbraw/zinc/63/04/88/944630488.db2.gz NTONWFUGKJGNJQ-IEBWSBKVSA-N 2 1 371.491 3.761 20 0 FHADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000426017840 944630491 /nfs/dbraw/zinc/63/04/91/944630491.db2.gz NTONWFUGKJGNJQ-IEBWSBKVSA-N 2 1 371.491 3.761 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000418459500 944642511 /nfs/dbraw/zinc/64/25/11/944642511.db2.gz IXTPBDXFXAORIK-SFHVURJKSA-N 2 1 372.557 3.504 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414933798 944726775 /nfs/dbraw/zinc/72/67/75/944726775.db2.gz UUFOZZDTZOUTMD-XJKSGUPXSA-N 2 1 371.447 3.790 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000438572711 944809178 /nfs/dbraw/zinc/80/91/78/944809178.db2.gz SZBYNJNIYZABNS-LJQANCHMSA-N 2 1 359.901 3.686 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836219 944855136 /nfs/dbraw/zinc/85/51/36/944855136.db2.gz UTUYVLSCCGYBJQ-CTNGQTDRSA-N 2 1 371.569 3.525 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000894324997 944878747 /nfs/dbraw/zinc/87/87/47/944878747.db2.gz LIVSKLUQVJSRTQ-KXBFYZLASA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000894324997 944878752 /nfs/dbraw/zinc/87/87/52/944878752.db2.gz LIVSKLUQVJSRTQ-KXBFYZLASA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(CN[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324991 944893081 /nfs/dbraw/zinc/89/30/81/944893081.db2.gz LIVSKLUQVJSRTQ-BEFAXECRSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324991 944893088 /nfs/dbraw/zinc/89/30/88/944893088.db2.gz LIVSKLUQVJSRTQ-BEFAXECRSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324991 944893094 /nfs/dbraw/zinc/89/30/94/944893094.db2.gz LIVSKLUQVJSRTQ-BEFAXECRSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324991 944893098 /nfs/dbraw/zinc/89/30/98/944893098.db2.gz LIVSKLUQVJSRTQ-BEFAXECRSA-N 2 1 350.466 3.674 20 0 FHADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000414895234 944899219 /nfs/dbraw/zinc/89/92/19/944899219.db2.gz WFEFKDGDORWKSC-SFHVURJKSA-N 2 1 360.885 3.755 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698208 944912801 /nfs/dbraw/zinc/91/28/01/944912801.db2.gz YDMKWDPKSKAZFQ-ZWKOTPCHSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698208 944912807 /nfs/dbraw/zinc/91/28/07/944912807.db2.gz YDMKWDPKSKAZFQ-ZWKOTPCHSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698208 944912813 /nfs/dbraw/zinc/91/28/13/944912813.db2.gz YDMKWDPKSKAZFQ-ZWKOTPCHSA-N 2 1 357.542 3.521 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000437075615 944993234 /nfs/dbraw/zinc/99/32/34/944993234.db2.gz HDDGQGDCXVMNDW-DENIHFKCSA-N 2 1 371.569 3.756 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c1 ZINC000414898109 945004844 /nfs/dbraw/zinc/00/48/44/945004844.db2.gz GAASXRYANRFDMK-FQEVSTJZSA-N 2 1 357.502 3.550 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000516563652 945015180 /nfs/dbraw/zinc/01/51/80/945015180.db2.gz NTGQSMXVNHIKFL-KRWDZBQOSA-N 2 1 369.484 3.970 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638773573 945017710 /nfs/dbraw/zinc/01/77/10/945017710.db2.gz COPPLTMWCVHWNP-XMGTWHOFSA-N 2 1 372.578 3.999 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638773573 945017721 /nfs/dbraw/zinc/01/77/21/945017721.db2.gz COPPLTMWCVHWNP-XMGTWHOFSA-N 2 1 372.578 3.999 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437106119 945027511 /nfs/dbraw/zinc/02/75/11/945027511.db2.gz UUEOXFRAACTGTN-UNWVZKJWSA-N 2 1 363.549 3.795 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415051690 945502566 /nfs/dbraw/zinc/50/25/66/945502566.db2.gz MKWRDYLPCDGLGT-FPOVZHCZSA-N 2 1 351.494 3.721 20 0 FHADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Br ZINC001204742404 945558137 /nfs/dbraw/zinc/55/81/37/945558137.db2.gz NANNSVIGZWEMSQ-UHFFFAOYSA-N 2 1 367.331 3.813 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)C[C@H](C)O1 ZINC000651672918 945597505 /nfs/dbraw/zinc/59/75/05/945597505.db2.gz PKRASURDSYJCJC-CALCHBBNSA-N 2 1 365.477 3.727 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654529 945622334 /nfs/dbraw/zinc/62/23/34/945622334.db2.gz SRACPBTWHCIMTB-ROUUACIJSA-N 2 1 370.928 3.927 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000111174145 945852304 /nfs/dbraw/zinc/85/23/04/945852304.db2.gz PNQFLDDGBUEYDX-QFIPXVFZSA-N 2 1 365.521 3.956 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000111174145 945852314 /nfs/dbraw/zinc/85/23/14/945852314.db2.gz PNQFLDDGBUEYDX-QFIPXVFZSA-N 2 1 365.521 3.956 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000415926473 945922052 /nfs/dbraw/zinc/92/20/52/945922052.db2.gz ZKGIZJQNLGJWIL-AEFFLSMTSA-N 2 1 358.530 3.571 20 0 FHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000522891768 946064526 /nfs/dbraw/zinc/06/45/26/946064526.db2.gz HWLOVPKQKVEFIS-WOIUINJBSA-N 2 1 371.569 3.655 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000662824856 946075222 /nfs/dbraw/zinc/07/52/22/946075222.db2.gz DLSJMOWYPKACCB-ICSRJNTNSA-N 2 1 351.579 3.501 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)cc1 ZINC000651883847 946157725 /nfs/dbraw/zinc/15/77/25/946157725.db2.gz RVLQLAXATIEFTJ-SBUREZEXSA-N 2 1 361.489 3.708 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1 ZINC000651883848 946157883 /nfs/dbraw/zinc/15/78/83/946157883.db2.gz RVLQLAXATIEFTJ-UZUQRXQVSA-N 2 1 361.489 3.708 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)cc1 ZINC000651928461 946297474 /nfs/dbraw/zinc/29/74/74/946297474.db2.gz HRJWWHKDKMIMCZ-JOCHJYFZSA-N 2 1 360.517 3.627 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSc1ccc(Cl)cc1 ZINC000441206537 946315640 /nfs/dbraw/zinc/31/56/40/946315640.db2.gz WWRIMLOMKDMIOO-NJAFHUGGSA-N 2 1 354.947 3.616 20 0 FHADMP C[C@@H]1CC(N2CCC([N@@H+](C)C3CC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056201 946351846 /nfs/dbraw/zinc/35/18/46/946351846.db2.gz DAQOYHMBUHDLKH-RTBURBONSA-N 2 1 355.570 3.987 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188183493 946418842 /nfs/dbraw/zinc/41/88/42/946418842.db2.gz SYNPCYRRSVDNBC-UONOGXRCSA-N 2 1 350.304 3.811 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1(C)C ZINC000441355440 946472263 /nfs/dbraw/zinc/47/22/63/946472263.db2.gz JRGWPQRBEQVTTA-UHFFFAOYSA-N 2 1 361.530 3.670 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441361618 946487967 /nfs/dbraw/zinc/48/79/67/946487967.db2.gz VEEJGUNPWHXJAR-UHFFFAOYSA-N 2 1 367.541 3.712 20 0 FHADMP CCOc1ccccc1CN1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000441365266 946514535 /nfs/dbraw/zinc/51/45/35/946514535.db2.gz KHKHICRCANJHIY-IBGZPJMESA-N 2 1 370.541 3.577 20 0 FHADMP CCOc1ccccc1CN1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000441365266 946514540 /nfs/dbraw/zinc/51/45/40/946514540.db2.gz KHKHICRCANJHIY-IBGZPJMESA-N 2 1 370.541 3.577 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417223550 946517112 /nfs/dbraw/zinc/51/71/12/946517112.db2.gz SKORZMCRTHLDDW-NSHGMRRFSA-N 2 1 374.573 3.522 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475514997 946554077 /nfs/dbraw/zinc/55/40/77/946554077.db2.gz WWLQRHJVZGEUMU-NPPFBWRTSA-N 2 1 369.553 3.550 20 0 FHADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1Cl ZINC000655719390 946616901 /nfs/dbraw/zinc/61/69/01/946616901.db2.gz SEXACOIAYMRPML-QZTJIDSGSA-N 2 1 366.933 3.730 20 0 FHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000536266573 946663333 /nfs/dbraw/zinc/66/33/33/946663333.db2.gz HVYXXVYLSXIDFU-KRWDZBQOSA-N 2 1 367.331 3.529 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164525954 946699940 /nfs/dbraw/zinc/69/99/40/946699940.db2.gz UQIIWTHWSPNSIT-NRFANRHFSA-N 2 1 364.493 3.812 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCC3(C2)OCCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059902 946749242 /nfs/dbraw/zinc/74/92/42/946749242.db2.gz VTJWHEKJYXIVQG-KOUHRCEDSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCC3(C2)OCCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059902 946749250 /nfs/dbraw/zinc/74/92/50/946749250.db2.gz VTJWHEKJYXIVQG-KOUHRCEDSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059902 946749259 /nfs/dbraw/zinc/74/92/59/946749259.db2.gz VTJWHEKJYXIVQG-KOUHRCEDSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059902 946749265 /nfs/dbraw/zinc/74/92/65/946749265.db2.gz VTJWHEKJYXIVQG-KOUHRCEDSA-N 2 1 358.526 3.655 20 0 FHADMP C[NH+](C)CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473929067 946753379 /nfs/dbraw/zinc/75/33/79/946753379.db2.gz TXOVNZKBBONZDD-UHFFFAOYSA-N 3 1 359.558 3.514 20 0 FHADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC000035012028 946769589 /nfs/dbraw/zinc/76/95/89/946769589.db2.gz XOYDVRBOVVXFEO-CQSZACIVSA-N 2 1 355.320 3.812 20 0 FHADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC000035012028 946769584 /nfs/dbraw/zinc/76/95/84/946769584.db2.gz XOYDVRBOVVXFEO-CQSZACIVSA-N 2 1 355.320 3.812 20 0 FHADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000550358144 946775311 /nfs/dbraw/zinc/77/53/11/946775311.db2.gz ZIMSAULFOOLRLH-WOJBJXKFSA-N 2 1 359.558 3.656 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000475268686 946784061 /nfs/dbraw/zinc/78/40/61/946784061.db2.gz KMROENWHFVMFNC-GHTZIAJQSA-N 2 1 368.521 3.834 20 0 FHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475279021 946800299 /nfs/dbraw/zinc/80/02/99/946800299.db2.gz IXKMPZFKPRCEQF-HXUWFJFHSA-N 2 1 354.542 3.867 20 0 FHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475287419 946825206 /nfs/dbraw/zinc/82/52/06/946825206.db2.gz OJADNISDQUYALF-UYAOXDASSA-N 2 1 362.521 3.996 20 0 FHADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347999 946879011 /nfs/dbraw/zinc/87/90/11/946879011.db2.gz RHSXPCRUXWNICY-NOVWEMISSA-N 2 1 354.441 3.567 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348050 946879369 /nfs/dbraw/zinc/87/93/69/946879369.db2.gz SMWRPLQQEFJGNI-VUNQQRPYSA-N 2 1 372.431 3.865 20 0 FHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000550380487 946884004 /nfs/dbraw/zinc/88/40/04/946884004.db2.gz YVQHPXJAFDENIN-AZUAARDMSA-N 2 1 351.579 3.656 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348725 946887632 /nfs/dbraw/zinc/88/76/32/946887632.db2.gz OURZYOLRTFVGCG-ZHALLVOQSA-N 2 1 363.571 3.909 20 0 FHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349623 946890312 /nfs/dbraw/zinc/89/03/12/946890312.db2.gz VWEGSEIOUWECAQ-XGXHKWSGSA-N 2 1 355.482 3.621 20 0 FHADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994968 946892101 /nfs/dbraw/zinc/89/21/01/946892101.db2.gz RTVJELSINYPSHB-DFNIBXOVSA-N 2 1 365.562 3.627 20 0 FHADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994968 946892110 /nfs/dbraw/zinc/89/21/10/946892110.db2.gz RTVJELSINYPSHB-DFNIBXOVSA-N 2 1 365.562 3.627 20 0 FHADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995090 946892912 /nfs/dbraw/zinc/89/29/12/946892912.db2.gz VQLMGYDMJMYHII-JIMIUWDKSA-N 2 1 372.553 3.938 20 0 FHADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995090 946892923 /nfs/dbraw/zinc/89/29/23/946892923.db2.gz VQLMGYDMJMYHII-JIMIUWDKSA-N 2 1 372.553 3.938 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000652364476 946933497 /nfs/dbraw/zinc/93/34/97/946933497.db2.gz SKORLPCCFCBVAH-UDIDDNNKSA-N 2 1 366.505 3.732 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511921972 947006885 /nfs/dbraw/zinc/00/68/85/947006885.db2.gz JDJQBBFLGWAACR-GECPCNCSSA-N 2 1 372.459 3.725 20 0 FHADMP O=C(C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)N1CCCCCC1 ZINC001167995839 947047163 /nfs/dbraw/zinc/04/71/63/947047163.db2.gz RSOZAWHCTYHKLM-CBQGHPETSA-N 2 1 373.585 3.506 20 0 FHADMP c1ccc(OCCC[N@@H+](CCC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000444631965 947061091 /nfs/dbraw/zinc/06/10/91/947061091.db2.gz NBCAZIIDXKQUGU-UHFFFAOYSA-N 2 1 360.542 3.813 20 0 FHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCO[C@H]2CCCCO2)CC3)cc1 ZINC000444656986 947075934 /nfs/dbraw/zinc/07/59/34/947075934.db2.gz AWMCFDRZIYHTOL-NRFANRHFSA-N 2 1 358.526 3.518 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000192924191 947105081 /nfs/dbraw/zinc/10/50/81/947105081.db2.gz IRYZBBYKLPKZOI-QGZVFWFLSA-N 2 1 374.912 3.969 20 0 FHADMP COC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065469 947113639 /nfs/dbraw/zinc/11/36/39/947113639.db2.gz WOXWWGIFOVNMRP-TWWGPRNNSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@@]1(C)CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065469 947113646 /nfs/dbraw/zinc/11/36/46/947113646.db2.gz WOXWWGIFOVNMRP-TWWGPRNNSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@@]1(C)CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065469 947113654 /nfs/dbraw/zinc/11/36/54/947113654.db2.gz WOXWWGIFOVNMRP-TWWGPRNNSA-N 2 1 358.526 3.703 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536301680 947196663 /nfs/dbraw/zinc/19/66/63/947196663.db2.gz FWFADDCWKDTIER-KBXCAEBGSA-N 2 1 357.325 3.807 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](C)[N@H+](C)C3CC3)c2c1C ZINC000301156395 947207574 /nfs/dbraw/zinc/20/75/74/947207574.db2.gz NIZCQFBZMAKSLN-CYBMUJFWSA-N 2 1 373.570 3.799 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](C)[N@@H+](C)C3CC3)c2c1C ZINC000301156395 947207582 /nfs/dbraw/zinc/20/75/82/947207582.db2.gz NIZCQFBZMAKSLN-CYBMUJFWSA-N 2 1 373.570 3.799 20 0 FHADMP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000662108203 947287502 /nfs/dbraw/zinc/28/75/02/947287502.db2.gz KICQTLCXFJVEFC-NRFANRHFSA-N 2 1 359.558 3.837 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458056 947288890 /nfs/dbraw/zinc/28/88/90/947288890.db2.gz UIWYNXUTNIOEGN-NQIIRXRSSA-N 2 1 367.537 3.560 20 0 FHADMP Cc1cnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000663189538 947339223 /nfs/dbraw/zinc/33/92/23/947339223.db2.gz URBJHHRDBOIDGM-QFIPXVFZSA-N 2 1 364.537 3.908 20 0 FHADMP Cc1cnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000663189538 947339232 /nfs/dbraw/zinc/33/92/32/947339232.db2.gz URBJHHRDBOIDGM-QFIPXVFZSA-N 2 1 364.537 3.908 20 0 FHADMP Cc1cnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000663189537 947339621 /nfs/dbraw/zinc/33/96/21/947339621.db2.gz URBJHHRDBOIDGM-JOCHJYFZSA-N 2 1 364.537 3.908 20 0 FHADMP Cc1cnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000663189537 947339629 /nfs/dbraw/zinc/33/96/29/947339629.db2.gz URBJHHRDBOIDGM-JOCHJYFZSA-N 2 1 364.537 3.908 20 0 FHADMP Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000126176201 947408106 /nfs/dbraw/zinc/40/81/06/947408106.db2.gz XPDHBYWUXPCWKN-INIZCTEOSA-N 2 1 350.441 3.961 20 0 FHADMP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189084183 947595919 /nfs/dbraw/zinc/59/59/19/947595919.db2.gz KTEJJNGIXOIFEI-UHFFFAOYSA-N 2 1 350.812 3.559 20 0 FHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000523829244 947646668 /nfs/dbraw/zinc/64/66/68/947646668.db2.gz WPTTXKHNVCHSSZ-OAQYLSRUSA-N 2 1 357.542 3.667 20 0 FHADMP Clc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662291458 947715292 /nfs/dbraw/zinc/71/52/92/947715292.db2.gz SSNTYRHJBHRUDZ-MRXNPFEDSA-N 2 1 360.889 3.602 20 0 FHADMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1Cl ZINC000662295773 947722118 /nfs/dbraw/zinc/72/21/18/947722118.db2.gz TVMSJXHEGCVNAW-AWEZNQCLSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1Cl ZINC000662295773 947722125 /nfs/dbraw/zinc/72/21/25/947722125.db2.gz TVMSJXHEGCVNAW-AWEZNQCLSA-N 2 1 370.324 3.644 20 0 FHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797613 947742081 /nfs/dbraw/zinc/74/20/81/947742081.db2.gz GZTIDACZSYILSM-SFHVURJKSA-N 2 1 365.562 3.726 20 0 FHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797613 947742084 /nfs/dbraw/zinc/74/20/84/947742084.db2.gz GZTIDACZSYILSM-SFHVURJKSA-N 2 1 365.562 3.726 20 0 FHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797613 947742094 /nfs/dbraw/zinc/74/20/94/947742094.db2.gz GZTIDACZSYILSM-SFHVURJKSA-N 2 1 365.562 3.726 20 0 FHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797613 947742099 /nfs/dbraw/zinc/74/20/99/947742099.db2.gz GZTIDACZSYILSM-SFHVURJKSA-N 2 1 365.562 3.726 20 0 FHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313686 947748064 /nfs/dbraw/zinc/74/80/64/947748064.db2.gz KRMGTTDKLFDHOV-ZIFCJYIRSA-N 2 1 371.525 3.792 20 0 FHADMP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324340 947751191 /nfs/dbraw/zinc/75/11/91/947751191.db2.gz VLTGHVDQDDGPCR-MAUKXSAKSA-N 2 1 358.448 3.852 20 0 FHADMP Fc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1F ZINC000662329095 947759309 /nfs/dbraw/zinc/75/93/09/947759309.db2.gz YQEGIBPQHWULEO-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Fc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1F ZINC000662329095 947759320 /nfs/dbraw/zinc/75/93/20/947759320.db2.gz YQEGIBPQHWULEO-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343801 947807908 /nfs/dbraw/zinc/80/79/08/947807908.db2.gz FMBQFFMRZDJUNS-OAQYLSRUSA-N 2 1 373.560 3.544 20 0 FHADMP Fc1ccc(CCN2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343801 947807918 /nfs/dbraw/zinc/80/79/18/947807918.db2.gz FMBQFFMRZDJUNS-OAQYLSRUSA-N 2 1 373.560 3.544 20 0 FHADMP Fc1ccc(CCN2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343801 947807931 /nfs/dbraw/zinc/80/79/31/947807931.db2.gz FMBQFFMRZDJUNS-OAQYLSRUSA-N 2 1 373.560 3.544 20 0 FHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1Br ZINC000663346203 947811511 /nfs/dbraw/zinc/81/15/11/947811511.db2.gz QLIZCKMTAPHNDY-HNNXBMFYSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1Br ZINC000663346203 947811520 /nfs/dbraw/zinc/81/15/20/947811520.db2.gz QLIZCKMTAPHNDY-HNNXBMFYSA-N 2 1 355.295 3.800 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1OC(F)F ZINC000663347051 947814720 /nfs/dbraw/zinc/81/47/20/947814720.db2.gz GUBBNRSIXAVCNQ-INIZCTEOSA-N 2 1 368.468 3.898 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1OC(F)F ZINC000663347051 947814724 /nfs/dbraw/zinc/81/47/24/947814724.db2.gz GUBBNRSIXAVCNQ-INIZCTEOSA-N 2 1 368.468 3.898 20 0 FHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC(F)F ZINC000663347651 947820323 /nfs/dbraw/zinc/82/03/23/947820323.db2.gz RIQCXGCDPQWEBL-MRXNPFEDSA-N 2 1 354.441 3.508 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466178 948051129 /nfs/dbraw/zinc/05/11/29/948051129.db2.gz OYZCCJSAMXNLKC-DZGCQCFKSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466178 948051137 /nfs/dbraw/zinc/05/11/37/948051137.db2.gz OYZCCJSAMXNLKC-DZGCQCFKSA-N 2 1 352.320 3.617 20 0 FHADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469990 948064045 /nfs/dbraw/zinc/06/40/45/948064045.db2.gz SHRMIZYBLLLXHO-ZBFHGGJFSA-N 2 1 350.478 3.616 20 0 FHADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469990 948064056 /nfs/dbraw/zinc/06/40/56/948064056.db2.gz SHRMIZYBLLLXHO-ZBFHGGJFSA-N 2 1 350.478 3.616 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2cccc(Br)c21 ZINC000925780780 948096129 /nfs/dbraw/zinc/09/61/29/948096129.db2.gz GPRLMSLVZVUILU-JTNHKYCSSA-N 2 1 359.258 3.832 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000166233298 948098370 /nfs/dbraw/zinc/09/83/70/948098370.db2.gz UVQINPIYRKSWIW-RTBURBONSA-N 2 1 367.493 3.989 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000166233298 948098376 /nfs/dbraw/zinc/09/83/76/948098376.db2.gz UVQINPIYRKSWIW-RTBURBONSA-N 2 1 367.493 3.989 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1)C1CC1 ZINC000511997740 948140486 /nfs/dbraw/zinc/14/04/86/948140486.db2.gz BYYGBATUIGTLLA-UHFFFAOYSA-N 2 1 357.542 3.521 20 0 FHADMP CSC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925786615 948168731 /nfs/dbraw/zinc/16/87/31/948168731.db2.gz XECBGRNJHOJONP-KBPBESRZSA-N 2 1 368.415 3.944 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624381 948255931 /nfs/dbraw/zinc/25/59/31/948255931.db2.gz JGATYKZOBMKTBM-DZWOVHDNSA-N 2 1 350.506 3.535 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624383 948256463 /nfs/dbraw/zinc/25/64/63/948256463.db2.gz JGATYKZOBMKTBM-ZMVGRULKSA-N 2 1 350.506 3.535 20 0 FHADMP Fc1ccc(N2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001168002857 948266171 /nfs/dbraw/zinc/26/61/71/948266171.db2.gz ZVTVJYOURHBJJK-CBQGHPETSA-N 2 1 357.517 3.743 20 0 FHADMP Fc1ccc(N2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168002857 948266175 /nfs/dbraw/zinc/26/61/75/948266175.db2.gz ZVTVJYOURHBJJK-CBQGHPETSA-N 2 1 357.517 3.743 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000512041900 948272904 /nfs/dbraw/zinc/27/29/04/948272904.db2.gz VORFQBRQAOGSFU-INIZCTEOSA-N 2 1 358.555 3.520 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000473210496 948285634 /nfs/dbraw/zinc/28/56/34/948285634.db2.gz VACTWXZPDUVELO-NRSPTQNISA-N 2 1 359.558 3.665 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000473210494 948286051 /nfs/dbraw/zinc/28/60/51/948286051.db2.gz VACTWXZPDUVELO-GIVPXCGWSA-N 2 1 359.558 3.665 20 0 FHADMP CCOC(=O)C1(C(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168003514 948300282 /nfs/dbraw/zinc/30/02/82/948300282.db2.gz OFMVJSSQRKRYTC-YOFSQIOKSA-N 2 1 362.558 3.693 20 0 FHADMP C[C@H]([NH2+]C1(CNCc2ncc(C[NH+](C)C)s2)CCCC1)c1ccccc1 ZINC000512053353 948319041 /nfs/dbraw/zinc/31/90/41/948319041.db2.gz QNRLAYATJNZZBY-KRWDZBQOSA-N 2 1 372.582 3.958 20 0 FHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H](C)CCC[NH+](CC)CC ZINC001167839838 948323415 /nfs/dbraw/zinc/32/34/15/948323415.db2.gz CDLFKNCJAOBKGU-MOPGFXCFSA-N 2 1 358.567 3.567 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000278985745 948373497 /nfs/dbraw/zinc/37/34/97/948373497.db2.gz PKMVACLQWMMWEP-QWHCGFSZSA-N 2 1 364.287 3.567 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422498 948383321 /nfs/dbraw/zinc/38/33/21/948383321.db2.gz FLMBBENYGSEZRO-ZIAGYGMSSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@H]1C[N@@H+](CCCN[C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422264 948384665 /nfs/dbraw/zinc/38/46/65/948384665.db2.gz DDNOELNRJKVQSH-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422264 948384682 /nfs/dbraw/zinc/38/46/82/948384682.db2.gz DDNOELNRJKVQSH-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422264 948384689 /nfs/dbraw/zinc/38/46/89/948384689.db2.gz DDNOELNRJKVQSH-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512087638 948390961 /nfs/dbraw/zinc/39/09/61/948390961.db2.gz KDOVFDBMNMBEFY-GFCCVEGCSA-N 2 1 368.344 3.688 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1F ZINC000279065510 948451641 /nfs/dbraw/zinc/45/16/41/948451641.db2.gz ZPDBZFVUIGOBKW-NEPJUHHUSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1F ZINC000279065512 948451871 /nfs/dbraw/zinc/45/18/71/948451871.db2.gz ZPDBZFVUIGOBKW-NWDGAFQWSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1F ZINC000279065516 948451914 /nfs/dbraw/zinc/45/19/14/948451914.db2.gz ZPDBZFVUIGOBKW-VXGBXAGGSA-N 2 1 352.251 3.698 20 0 FHADMP C[NH+](C)Cc1cnc(CNCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000512127631 948498017 /nfs/dbraw/zinc/49/80/17/948498017.db2.gz BHAARVUNHWPLRQ-UHFFFAOYSA-N 2 1 372.582 3.871 20 0 FHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512130924 948506487 /nfs/dbraw/zinc/50/64/87/948506487.db2.gz PUBDYMAQKVZARL-OAHLLOKOSA-N 2 1 366.431 3.713 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512130924 948506491 /nfs/dbraw/zinc/50/64/91/948506491.db2.gz PUBDYMAQKVZARL-OAHLLOKOSA-N 2 1 366.431 3.713 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000512182839 948710575 /nfs/dbraw/zinc/71/05/75/948710575.db2.gz SYNAHFROFROEBM-IYBDPMFKSA-N 2 1 360.473 3.893 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@@H]12 ZINC000536475371 948713481 /nfs/dbraw/zinc/71/34/81/948713481.db2.gz FRCNFIHYPSIYRA-SQEGATDGSA-N 2 1 374.573 3.766 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@@H]12 ZINC000536475371 948713486 /nfs/dbraw/zinc/71/34/86/948713486.db2.gz FRCNFIHYPSIYRA-SQEGATDGSA-N 2 1 374.573 3.766 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(CSC(F)F)o2)C[C@H](C)O1 ZINC000067452817 948787640 /nfs/dbraw/zinc/78/76/40/948787640.db2.gz LPYINDOJHOPJQD-OKILXGFUSA-N 2 1 362.486 3.714 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000161727926 567962771 /nfs/dbraw/zinc/96/27/71/567962771.db2.gz NJKIZXWVLMCKCC-FQEVSTJZSA-N 2 1 373.566 3.511 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000186945746 568020846 /nfs/dbraw/zinc/02/08/46/568020846.db2.gz XFYPGXYKGREAQZ-LBPRGKRZSA-N 2 1 366.278 3.896 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000521428148 568025038 /nfs/dbraw/zinc/02/50/38/568025038.db2.gz XPJHPONOHBLOPP-KRWDZBQOSA-N 2 1 363.521 3.905 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604774295 568363957 /nfs/dbraw/zinc/36/39/57/568363957.db2.gz NXRHDATXELPIDQ-WMLDXEAASA-N 2 1 353.938 3.931 20 0 FHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4[nH]ccc42)CC3)cs1 ZINC001164693310 719803808 /nfs/dbraw/zinc/80/38/08/719803808.db2.gz RXOUKTRBCZWKJF-UHFFFAOYSA-N 2 1 367.522 3.963 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000162249959 936366949 /nfs/dbraw/zinc/36/69/49/936366949.db2.gz AZYVSCMEOPFFSE-AWEZNQCLSA-N 2 1 358.461 3.561 20 0 FHADMP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000583023200 936377531 /nfs/dbraw/zinc/37/75/31/936377531.db2.gz CYKKRAKRKYMNFW-IRFCIJBXSA-N 2 1 371.912 3.682 20 0 FHADMP C[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000583023200 936377535 /nfs/dbraw/zinc/37/75/35/936377535.db2.gz CYKKRAKRKYMNFW-IRFCIJBXSA-N 2 1 371.912 3.682 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000579693374 927116423 /nfs/dbraw/zinc/11/64/23/927116423.db2.gz VHKGLZFKNZKNKV-JTHBVZDNSA-N 2 1 360.505 3.840 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000579693374 927116433 /nfs/dbraw/zinc/11/64/33/927116433.db2.gz VHKGLZFKNZKNKV-JTHBVZDNSA-N 2 1 360.505 3.840 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274740659 927764894 /nfs/dbraw/zinc/76/48/94/927764894.db2.gz ADYHWSLUQWJJCK-VGKUOYCKSA-N 2 1 362.583 3.566 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274740659 927764906 /nfs/dbraw/zinc/76/49/06/927764906.db2.gz ADYHWSLUQWJJCK-VGKUOYCKSA-N 2 1 362.583 3.566 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000154538242 937232968 /nfs/dbraw/zinc/23/29/68/937232968.db2.gz IWEBLULFSOAWAO-NRFANRHFSA-N 2 1 371.569 3.830 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000274781139 928273370 /nfs/dbraw/zinc/27/33/70/928273370.db2.gz KQAUJEIUKZXNMR-SEJPIABJSA-N 2 1 351.494 3.862 20 0 FHADMP c1nc(C2CC2)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236413 937261680 /nfs/dbraw/zinc/26/16/80/937261680.db2.gz XAOXAUGGLYATJG-MOPGFXCFSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236413 937261686 /nfs/dbraw/zinc/26/16/86/937261686.db2.gz XAOXAUGGLYATJG-MOPGFXCFSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236413 937261688 /nfs/dbraw/zinc/26/16/88/937261688.db2.gz XAOXAUGGLYATJG-MOPGFXCFSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236413 937261691 /nfs/dbraw/zinc/26/16/91/937261691.db2.gz XAOXAUGGLYATJG-MOPGFXCFSA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236422 937261761 /nfs/dbraw/zinc/26/17/61/937261761.db2.gz XAOXAUGGLYATJG-OALUTQOASA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236422 937261763 /nfs/dbraw/zinc/26/17/63/937261763.db2.gz XAOXAUGGLYATJG-OALUTQOASA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236422 937261764 /nfs/dbraw/zinc/26/17/64/937261764.db2.gz XAOXAUGGLYATJG-OALUTQOASA-N 2 1 353.535 3.974 20 0 FHADMP c1nc(C2CC2)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583236422 937261766 /nfs/dbraw/zinc/26/17/66/937261766.db2.gz XAOXAUGGLYATJG-OALUTQOASA-N 2 1 353.535 3.974 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154549521 928937599 /nfs/dbraw/zinc/93/75/99/928937599.db2.gz NIVRDZQNYUCJEJ-FQEVSTJZSA-N 2 1 366.553 3.817 20 0 FHADMP C[C@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000547740534 929169028 /nfs/dbraw/zinc/16/90/28/929169028.db2.gz CBWNALJRXIGAPB-WYVVHKHJSA-N 2 1 369.597 3.918 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000075642728 929289633 /nfs/dbraw/zinc/28/96/33/929289633.db2.gz QPKAPYCUIHWPDI-UHFFFAOYSA-N 2 1 360.477 3.820 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000075642728 929289644 /nfs/dbraw/zinc/28/96/44/929289644.db2.gz QPKAPYCUIHWPDI-UHFFFAOYSA-N 2 1 360.477 3.820 20 0 FHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150883662 937331490 /nfs/dbraw/zinc/33/14/90/937331490.db2.gz LJZDKPJGRFVGCH-GOSISDBHSA-N 2 1 363.509 3.960 20 0 FHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750470 937333537 /nfs/dbraw/zinc/33/35/37/937333537.db2.gz AEJIGYJYMGLZPA-LSSBLYJVSA-N 2 1 368.443 3.952 20 0 FHADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000046955978 929672036 /nfs/dbraw/zinc/67/20/36/929672036.db2.gz LSAOKVRKDCHCPV-SFHVURJKSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH+]1CC[C@@H](CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000046955978 929672043 /nfs/dbraw/zinc/67/20/43/929672043.db2.gz LSAOKVRKDCHCPV-SFHVURJKSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH+]1CC[C@@H](CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000046955978 929672046 /nfs/dbraw/zinc/67/20/46/929672046.db2.gz LSAOKVRKDCHCPV-SFHVURJKSA-N 2 1 372.557 3.914 20 0 FHADMP COc1nc(C)cc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690458 929804650 /nfs/dbraw/zinc/80/46/50/929804650.db2.gz KSGRTQXENPHBEA-WKCHPHFGSA-N 2 1 365.521 3.992 20 0 FHADMP COc1nc(C)cc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690458 929804662 /nfs/dbraw/zinc/80/46/62/929804662.db2.gz KSGRTQXENPHBEA-WKCHPHFGSA-N 2 1 365.521 3.992 20 0 FHADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691281 929807970 /nfs/dbraw/zinc/80/79/70/929807970.db2.gz AVVHAMQWQTYUCV-KJJMTIBFSA-N 2 1 366.553 3.945 20 0 FHADMP CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000162916473 937365780 /nfs/dbraw/zinc/36/57/80/937365780.db2.gz BYQAYXSMQKIANN-ANOSVHRGSA-N 2 1 359.539 3.911 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000583376418 937392762 /nfs/dbraw/zinc/39/27/62/937392762.db2.gz MUYQUTFIIKBCJK-VGSWGCGISA-N 2 1 356.485 3.544 20 0 FHADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371349 930174118 /nfs/dbraw/zinc/17/41/18/930174118.db2.gz JHFVXZFMPVJNSC-PXNSSMCTSA-N 2 1 351.485 3.516 20 0 FHADMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000126631684 937399630 /nfs/dbraw/zinc/39/96/30/937399630.db2.gz ZRPJAGLDWHELER-SEJPIABJSA-N 2 1 361.961 3.909 20 0 FHADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000126631684 937399634 /nfs/dbraw/zinc/39/96/34/937399634.db2.gz ZRPJAGLDWHELER-SEJPIABJSA-N 2 1 361.961 3.909 20 0 FHADMP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000580113809 930258107 /nfs/dbraw/zinc/25/81/07/930258107.db2.gz YCGLPOZPVDSECX-RBUKOAKNSA-N 2 1 361.549 3.543 20 0 FHADMP Fc1ccc(CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001167372615 930418170 /nfs/dbraw/zinc/41/81/70/930418170.db2.gz PSPJVPRQCCYKPN-UHFFFAOYSA-N 2 1 368.496 3.865 20 0 FHADMP Fc1ccc(CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC001167372615 930418175 /nfs/dbraw/zinc/41/81/75/930418175.db2.gz PSPJVPRQCCYKPN-UHFFFAOYSA-N 2 1 368.496 3.865 20 0 FHADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)o2)n[nH]1 ZINC000683927571 930636898 /nfs/dbraw/zinc/63/68/98/930636898.db2.gz YQZVQSMKTKBWGK-SFHVURJKSA-N 2 1 350.466 3.672 20 0 FHADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)o2)n[nH]1 ZINC000683927571 930636905 /nfs/dbraw/zinc/63/69/05/930636905.db2.gz YQZVQSMKTKBWGK-SFHVURJKSA-N 2 1 350.466 3.672 20 0 FHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000580409244 930647596 /nfs/dbraw/zinc/64/75/96/930647596.db2.gz JGQYLAHDJZYRFB-RBUKOAKNSA-N 2 1 357.523 3.528 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000548095350 930674646 /nfs/dbraw/zinc/67/46/46/930674646.db2.gz YOQAMEQNQNFYCV-QHCPKHFHSA-N 2 1 354.538 3.795 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580499071 930758790 /nfs/dbraw/zinc/75/87/90/930758790.db2.gz MRFKJLUSJPAYLN-JOCHJYFZSA-N 3 1 357.586 3.808 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580499071 930758794 /nfs/dbraw/zinc/75/87/94/930758794.db2.gz MRFKJLUSJPAYLN-JOCHJYFZSA-N 3 1 357.586 3.808 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580499071 930758799 /nfs/dbraw/zinc/75/87/99/930758799.db2.gz MRFKJLUSJPAYLN-JOCHJYFZSA-N 3 1 357.586 3.808 20 0 FHADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580499071 930758805 /nfs/dbraw/zinc/75/88/05/930758805.db2.gz MRFKJLUSJPAYLN-JOCHJYFZSA-N 2 1 357.586 3.808 20 0 FHADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580499071 930758809 /nfs/dbraw/zinc/75/88/09/930758809.db2.gz MRFKJLUSJPAYLN-JOCHJYFZSA-N 2 1 357.586 3.808 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000581100775 931565828 /nfs/dbraw/zinc/56/58/28/931565828.db2.gz QIGWXHIQTPXNPA-INIZCTEOSA-N 2 1 370.440 3.623 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCC[NH+]2CCCCC2)cc1 ZINC000656407905 931598081 /nfs/dbraw/zinc/59/80/81/931598081.db2.gz UQJYNTWNWFZMSF-XQUALCHDSA-N 2 1 367.581 3.705 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000581190782 931651420 /nfs/dbraw/zinc/65/14/20/931651420.db2.gz AEPOIFODWRCGOZ-OAQYLSRUSA-N 2 1 366.553 3.973 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000581190782 931651423 /nfs/dbraw/zinc/65/14/23/931651423.db2.gz AEPOIFODWRCGOZ-OAQYLSRUSA-N 2 1 366.553 3.973 20 0 FHADMP C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156335 931729307 /nfs/dbraw/zinc/72/93/07/931729307.db2.gz IOFONQSDDWWNLY-OFNKIYASSA-N 2 1 374.532 3.915 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000656537888 932029793 /nfs/dbraw/zinc/02/97/93/932029793.db2.gz IILLATISGUFMSB-FKBYEOEOSA-N 2 1 362.521 3.744 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581458114 932090701 /nfs/dbraw/zinc/09/07/01/932090701.db2.gz BUFMTWWHFJHMHJ-PZJWPPBQSA-N 2 1 352.526 3.689 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3cc(Cl)ccc3Cl)C2)CC1 ZINC000581524305 932207647 /nfs/dbraw/zinc/20/76/47/932207647.db2.gz KBBFXSOUMSGZFQ-GOSISDBHSA-N 2 1 370.368 3.636 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)CC1 ZINC000581524305 932207649 /nfs/dbraw/zinc/20/76/49/932207649.db2.gz KBBFXSOUMSGZFQ-GOSISDBHSA-N 2 1 370.368 3.636 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621871 932356891 /nfs/dbraw/zinc/35/68/91/932356891.db2.gz KSNWIHVQVYBVLF-UWJYYQICSA-N 2 1 351.494 3.884 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621871 932356893 /nfs/dbraw/zinc/35/68/93/932356893.db2.gz KSNWIHVQVYBVLF-UWJYYQICSA-N 2 1 351.494 3.884 20 0 FHADMP Cc1cccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000076399935 932377360 /nfs/dbraw/zinc/37/73/60/932377360.db2.gz PAPQEAYZXUDICG-UHFFFAOYSA-N 2 1 368.521 3.774 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)nc1 ZINC000656783302 932411060 /nfs/dbraw/zinc/41/10/60/932411060.db2.gz ORKCQKFRVYISAQ-OAQYLSRUSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786527 932417572 /nfs/dbraw/zinc/41/75/72/932417572.db2.gz UCQWGACQGBANNE-HXUWFJFHSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786525 932417913 /nfs/dbraw/zinc/41/79/13/932417913.db2.gz UCQWGACQGBANNE-FQEVSTJZSA-N 2 1 365.521 3.872 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785995 932418394 /nfs/dbraw/zinc/41/83/94/932418394.db2.gz PGVZHYIGTDTWMK-SFHVURJKSA-N 2 1 371.550 3.934 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)ccn1 ZINC000656784701 932419085 /nfs/dbraw/zinc/41/90/85/932419085.db2.gz FXKXZXXBJGIBBD-QFIPXVFZSA-N 2 1 365.521 3.872 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656783834 932420085 /nfs/dbraw/zinc/42/00/85/932420085.db2.gz AHVCGHUJTLZNDU-QGZVFWFLSA-N 2 1 368.468 3.898 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631238 932422958 /nfs/dbraw/zinc/42/29/58/932422958.db2.gz UAPKRKQNINVLRE-QZTJIDSGSA-N 2 1 351.494 3.931 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631238 932422961 /nfs/dbraw/zinc/42/29/61/932422961.db2.gz UAPKRKQNINVLRE-QZTJIDSGSA-N 2 1 351.494 3.931 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631241 932423055 /nfs/dbraw/zinc/42/30/55/932423055.db2.gz UAPKRKQNINVLRE-ZWKOTPCHSA-N 2 1 351.494 3.931 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631241 932423056 /nfs/dbraw/zinc/42/30/56/932423056.db2.gz UAPKRKQNINVLRE-ZWKOTPCHSA-N 2 1 351.494 3.931 20 0 FHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000647171289 932429143 /nfs/dbraw/zinc/42/91/43/932429143.db2.gz DXPXFXBMQPQLCU-CALCHBBNSA-N 2 1 358.530 3.836 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000581740560 932583589 /nfs/dbraw/zinc/58/35/89/932583589.db2.gz DFRZITCXJSNUQM-KXXHFCIOSA-N 2 1 350.506 3.736 20 0 FHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411340 932588296 /nfs/dbraw/zinc/58/82/96/932588296.db2.gz KECLYCQEFZIMSS-CRAIPNDOSA-N 2 1 356.432 3.934 20 0 FHADMP CCO[C@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000155715517 932606303 /nfs/dbraw/zinc/60/63/03/932606303.db2.gz QBRFUHFESSWKPT-OAQYLSRUSA-N 2 1 350.522 3.873 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844106 932731679 /nfs/dbraw/zinc/73/16/79/932731679.db2.gz UURGNVIYDKLYKP-WIYYLYMNSA-N 2 1 369.578 3.749 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844106 932731683 /nfs/dbraw/zinc/73/16/83/932731683.db2.gz UURGNVIYDKLYKP-WIYYLYMNSA-N 2 1 369.578 3.749 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581852341 932742931 /nfs/dbraw/zinc/74/29/31/932742931.db2.gz BEGUMMOTQXWCFE-JEBQAFNWSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000581852341 932742935 /nfs/dbraw/zinc/74/29/35/932742935.db2.gz BEGUMMOTQXWCFE-JEBQAFNWSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000581852341 932742939 /nfs/dbraw/zinc/74/29/39/932742939.db2.gz BEGUMMOTQXWCFE-JEBQAFNWSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581852341 932742947 /nfs/dbraw/zinc/74/29/47/932742947.db2.gz BEGUMMOTQXWCFE-JEBQAFNWSA-N 2 1 356.432 3.543 20 0 FHADMP COC(=O)c1csc(-c2cccc(C[NH2+]C3CC[NH+](C(C)C)CC3)c2)n1 ZINC000276616517 932808168 /nfs/dbraw/zinc/80/81/68/932808168.db2.gz DCKOKOXFYSIVCC-UHFFFAOYSA-N 2 1 373.522 3.559 20 0 FHADMP CC(C)Cn1nccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000647192678 932883150 /nfs/dbraw/zinc/88/31/50/932883150.db2.gz SIBULAXLQZQTNR-OALUTQOASA-N 2 1 354.542 3.785 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCC(C)(C)C ZINC000430687421 932954254 /nfs/dbraw/zinc/95/42/54/932954254.db2.gz QTRWJSQXKRYJRS-UHFFFAOYSA-N 2 1 365.606 3.858 20 0 FHADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854957 933155135 /nfs/dbraw/zinc/15/51/35/933155135.db2.gz CPJUATWKYYOETQ-FYYLOGMGSA-N 2 1 365.521 3.817 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000510677276 933409534 /nfs/dbraw/zinc/40/95/34/933409534.db2.gz ARMHHRIUDAWNGW-MRXNPFEDSA-N 2 1 352.469 3.521 20 0 FHADMP Cc1ccc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430920862 933417840 /nfs/dbraw/zinc/41/78/40/933417840.db2.gz QPZDYGDBQVRYJH-UHFFFAOYSA-N 2 1 357.586 3.666 20 0 FHADMP Cc1ccc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430920862 933417843 /nfs/dbraw/zinc/41/78/43/933417843.db2.gz QPZDYGDBQVRYJH-UHFFFAOYSA-N 3 1 357.586 3.666 20 0 FHADMP Cc1ccc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430920862 933417847 /nfs/dbraw/zinc/41/78/47/933417847.db2.gz QPZDYGDBQVRYJH-UHFFFAOYSA-N 3 1 357.586 3.666 20 0 FHADMP Cc1cc(OCCC[C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)ccc1Cl ZINC000510718975 933517484 /nfs/dbraw/zinc/51/74/84/933517484.db2.gz KCQOORSUBUYCPQ-KRWDZBQOSA-N 2 1 368.949 3.896 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1)C1CC1 ZINC000510738156 933623643 /nfs/dbraw/zinc/62/36/43/933623643.db2.gz SPJLTXPSBNNUSI-HXUWFJFHSA-N 2 1 371.550 3.765 20 0 FHADMP CC(C)N(C)C(=O)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000091952647 933736815 /nfs/dbraw/zinc/73/68/15/933736815.db2.gz NOQWLHNAUIWTKK-UHFFFAOYSA-N 2 1 373.585 3.723 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823458 933807018 /nfs/dbraw/zinc/80/70/18/933807018.db2.gz BNHCLXUOVNWRQD-OALUTQOASA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823458 933807025 /nfs/dbraw/zinc/80/70/25/933807025.db2.gz BNHCLXUOVNWRQD-OALUTQOASA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823458 933807030 /nfs/dbraw/zinc/80/70/30/933807030.db2.gz BNHCLXUOVNWRQD-OALUTQOASA-N 2 1 359.558 3.910 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)cc1 ZINC000510839812 933836738 /nfs/dbraw/zinc/83/67/38/933836738.db2.gz XXDJLNPECOUQTK-MOPGFXCFSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000510839812 933836745 /nfs/dbraw/zinc/83/67/45/933836745.db2.gz XXDJLNPECOUQTK-MOPGFXCFSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000510839812 933836752 /nfs/dbraw/zinc/83/67/52/933836752.db2.gz XXDJLNPECOUQTK-MOPGFXCFSA-N 2 1 359.558 3.911 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1-n1cncn1 ZINC000092587639 934099896 /nfs/dbraw/zinc/09/98/96/934099896.db2.gz WRQOCWHVHCBQLZ-OAQYLSRUSA-N 2 1 367.541 3.520 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844574 934180425 /nfs/dbraw/zinc/18/04/25/934180425.db2.gz RDZWHNLXYWFNCP-GOSISDBHSA-N 2 1 367.541 3.948 20 0 FHADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+](CC)CC ZINC000535695987 934290227 /nfs/dbraw/zinc/29/02/27/934290227.db2.gz IUSLGORYWFMCGX-NRFANRHFSA-N 2 1 371.569 3.622 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825761 934500246 /nfs/dbraw/zinc/50/02/46/934500246.db2.gz MLSILPILMCSJDI-WQVCFCJDSA-N 2 1 372.294 3.815 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825761 934500252 /nfs/dbraw/zinc/50/02/52/934500252.db2.gz MLSILPILMCSJDI-WQVCFCJDSA-N 2 1 372.294 3.815 20 0 FHADMP Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)ccc1C[NH+](C)C ZINC000458282108 934581409 /nfs/dbraw/zinc/58/14/09/934581409.db2.gz LTLBZOZETDRHBB-LJQANCHMSA-N 2 1 359.901 3.951 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccsc2S1 ZINC000537958624 934823634 /nfs/dbraw/zinc/82/36/34/934823634.db2.gz BLVFTULDRLUOTG-OSMBCOQSSA-N 2 1 352.569 3.641 20 0 FHADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510999785 934842124 /nfs/dbraw/zinc/84/21/24/934842124.db2.gz NZQDWSGOWHNFPZ-ICSRJNTNSA-N 2 1 359.558 3.524 20 0 FHADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510999785 934842125 /nfs/dbraw/zinc/84/21/25/934842125.db2.gz NZQDWSGOWHNFPZ-ICSRJNTNSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000537959150 934846406 /nfs/dbraw/zinc/84/64/06/934846406.db2.gz WVHLNKSVPSCCHM-BHIFYINESA-N 2 1 372.553 3.991 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2c1C ZINC000472040787 934878516 /nfs/dbraw/zinc/87/85/16/934878516.db2.gz ABULURBXNIIWFM-OAQYLSRUSA-N 2 1 363.505 3.641 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000472063133 934928173 /nfs/dbraw/zinc/92/81/73/934928173.db2.gz NETCTHOIWSDLDA-HSZRJFAPSA-N 2 1 363.505 3.511 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000472063133 934928186 /nfs/dbraw/zinc/92/81/86/934928186.db2.gz NETCTHOIWSDLDA-HSZRJFAPSA-N 2 1 363.505 3.511 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)cc1 ZINC000511043929 935034814 /nfs/dbraw/zinc/03/48/14/935034814.db2.gz ABDHWCASGNDIQU-QFIPXVFZSA-N 2 1 350.506 3.677 20 0 FHADMP C[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@H]1CCCC[NH+]1C ZINC001167508944 935014722 /nfs/dbraw/zinc/01/47/22/935014722.db2.gz KDZVRTLCBXZBBP-QGZVFWFLSA-N 2 1 353.551 3.582 20 0 FHADMP C[NH+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@H]1CCCC[N@@H+]1C ZINC001167508944 935014725 /nfs/dbraw/zinc/01/47/25/935014725.db2.gz KDZVRTLCBXZBBP-QGZVFWFLSA-N 2 1 353.551 3.582 20 0 FHADMP C[NH+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@H]1CCCC[N@H+]1C ZINC001167508944 935014731 /nfs/dbraw/zinc/01/47/31/935014731.db2.gz KDZVRTLCBXZBBP-QGZVFWFLSA-N 2 1 353.551 3.582 20 0 FHADMP COCc1csc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000657301203 935023510 /nfs/dbraw/zinc/02/35/10/935023510.db2.gz VSNUNQUFVVHDSD-CALCHBBNSA-N 2 1 374.550 3.794 20 0 FHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472109958 935053162 /nfs/dbraw/zinc/05/31/62/935053162.db2.gz FXADVXDDOAXTDH-PZJWPPBQSA-N 2 1 374.573 3.585 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657307474 935070265 /nfs/dbraw/zinc/07/02/65/935070265.db2.gz GVFNJVAKFQMUCI-UHFFFAOYSA-N 2 1 354.420 3.569 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1I ZINC000511055112 935124165 /nfs/dbraw/zinc/12/41/65/935124165.db2.gz VJJGVXLEVBUFNA-GFCCVEGCSA-N 2 1 369.250 3.537 20 0 FHADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000582030440 935149052 /nfs/dbraw/zinc/14/90/52/935149052.db2.gz RTANUFMDHNSCOJ-UHFFFAOYSA-N 2 1 354.420 3.869 20 0 FHADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000582030440 935149053 /nfs/dbraw/zinc/14/90/53/935149053.db2.gz RTANUFMDHNSCOJ-UHFFFAOYSA-N 2 1 354.420 3.869 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000582071601 935211628 /nfs/dbraw/zinc/21/16/28/935211628.db2.gz XGMNLKDIIRCLNM-IBGZPJMESA-N 2 1 371.569 3.677 20 0 FHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000563245642 935250006 /nfs/dbraw/zinc/25/00/06/935250006.db2.gz VQEAWCLNCUWIJS-PZJWPPBQSA-N 2 1 354.494 3.671 20 0 FHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000563245642 935250009 /nfs/dbraw/zinc/25/00/09/935250009.db2.gz VQEAWCLNCUWIJS-PZJWPPBQSA-N 2 1 354.494 3.671 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657338184 935264942 /nfs/dbraw/zinc/26/49/42/935264942.db2.gz IKHCIANHPXACGO-MRXNPFEDSA-N 2 1 358.555 3.751 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657338184 935264947 /nfs/dbraw/zinc/26/49/47/935264947.db2.gz IKHCIANHPXACGO-MRXNPFEDSA-N 2 1 358.555 3.751 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947607 935309433 /nfs/dbraw/zinc/30/94/33/935309433.db2.gz FDVKYYJFNGQWFK-XWSJACJDSA-N 2 1 365.562 3.629 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2OCCO)CC1 ZINC000438844597 945091670 /nfs/dbraw/zinc/09/16/70/945091670.db2.gz WLLXJJAJYDUWPT-UHFFFAOYSA-N 2 1 368.521 3.591 20 0 FHADMP C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192986 935391792 /nfs/dbraw/zinc/39/17/92/935391792.db2.gz ZYWBKRMJVGMUOT-PZJWPPBQSA-N 2 1 371.569 3.685 20 0 FHADMP CC[C@@](O)(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558326 935451685 /nfs/dbraw/zinc/45/16/85/935451685.db2.gz LVOULVZJHULQJG-RTBURBONSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558326 935451689 /nfs/dbraw/zinc/45/16/89/935451689.db2.gz LVOULVZJHULQJG-RTBURBONSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558326 935451692 /nfs/dbraw/zinc/45/16/92/935451692.db2.gz LVOULVZJHULQJG-RTBURBONSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558326 935451694 /nfs/dbraw/zinc/45/16/94/935451694.db2.gz LVOULVZJHULQJG-RTBURBONSA-N 2 1 370.459 3.678 20 0 FHADMP CC(C)Sc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000511129070 935727463 /nfs/dbraw/zinc/72/74/63/935727463.db2.gz DBYQIZTVAMJSNA-QGZVFWFLSA-N 2 1 350.572 3.712 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)C[C@H](C)O1 ZINC000684953753 935898587 /nfs/dbraw/zinc/89/85/87/935898587.db2.gz KHINIZBSFBAMLS-SVMVAKDDSA-N 2 1 365.521 3.858 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000582661039 935918632 /nfs/dbraw/zinc/91/86/32/935918632.db2.gz WHEVYVGISWTXMG-INIZCTEOSA-N 2 1 351.922 3.770 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000582660584 935920653 /nfs/dbraw/zinc/92/06/53/935920653.db2.gz KBQNCKLHMOLJJS-WTNAPCKOSA-N 2 1 372.940 3.886 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000582660584 935920655 /nfs/dbraw/zinc/92/06/55/935920655.db2.gz KBQNCKLHMOLJJS-WTNAPCKOSA-N 2 1 372.940 3.886 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442487 935927658 /nfs/dbraw/zinc/92/76/58/935927658.db2.gz RDHPSMOANRFAGR-DENIHFKCSA-N 2 1 355.526 3.779 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237343198 935954605 /nfs/dbraw/zinc/95/46/05/935954605.db2.gz LUJDVOPBJKYSKT-XMSQKQJNSA-N 2 1 365.521 3.767 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000427152424 945138258 /nfs/dbraw/zinc/13/82/58/945138258.db2.gz JKTLFRVMOWGCLD-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000427152424 945138266 /nfs/dbraw/zinc/13/82/66/945138266.db2.gz JKTLFRVMOWGCLD-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000075007493 936003002 /nfs/dbraw/zinc/00/30/02/936003002.db2.gz JAXBZIVLYRABES-QGZVFWFLSA-N 2 1 372.513 3.620 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000075007836 936003028 /nfs/dbraw/zinc/00/30/28/936003028.db2.gz SACHCUHXBJZXKT-UHFFFAOYSA-N 2 1 363.527 3.726 20 0 FHADMP c1cn(Cc2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000075758142 936019215 /nfs/dbraw/zinc/01/92/15/936019215.db2.gz NPEFBDBLAFDVII-UHFFFAOYSA-N 2 1 360.505 3.686 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C3CCCC3)CC2)CC1 ZINC000582733776 936026827 /nfs/dbraw/zinc/02/68/27/936026827.db2.gz BIDNQFXKNBZPML-UHFFFAOYSA-N 2 1 363.590 3.515 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CC1(C)C ZINC000582799737 936139544 /nfs/dbraw/zinc/13/95/44/936139544.db2.gz YBQREPYKSPBGHZ-TYPHKJRUSA-N 2 1 356.554 3.939 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000080339055 938249603 /nfs/dbraw/zinc/24/96/03/938249603.db2.gz VNZPKGDGTXCCGL-YLJYHZDGSA-N 2 1 354.494 3.847 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000080339055 938249605 /nfs/dbraw/zinc/24/96/05/938249605.db2.gz VNZPKGDGTXCCGL-YLJYHZDGSA-N 2 1 354.494 3.847 20 0 FHADMP c1nc([C@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798740 938278052 /nfs/dbraw/zinc/27/80/52/938278052.db2.gz VRGBOEUDNIPYOB-FQEVSTJZSA-N 2 1 364.537 3.852 20 0 FHADMP CCCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705601 938283831 /nfs/dbraw/zinc/28/38/31/938283831.db2.gz NKLKHDIRUJGRMK-TUNNFDKTSA-N 2 1 360.542 3.974 20 0 FHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706742 938286743 /nfs/dbraw/zinc/28/67/43/938286743.db2.gz RRCCFQPOLNMRHN-NLWGTHIKSA-N 2 1 371.550 3.837 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000728570268 938292728 /nfs/dbraw/zinc/29/27/28/938292728.db2.gz GVQQQLWHKXXAJK-UHFFFAOYSA-N 2 1 353.510 3.832 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000472291118 938293974 /nfs/dbraw/zinc/29/39/74/938293974.db2.gz JCVPWJFOVVPNEB-OAQYLSRUSA-N 2 1 369.509 3.807 20 0 FHADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000583567390 938305500 /nfs/dbraw/zinc/30/55/00/938305500.db2.gz VGBRHICUTIUSGR-SFHVURJKSA-N 2 1 365.521 3.933 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722800 938309931 /nfs/dbraw/zinc/30/99/31/938309931.db2.gz BKYCVQXTPCKKFL-QRQLOZEOSA-N 2 1 357.523 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3cccs3)n2)C1 ZINC000650723991 938311179 /nfs/dbraw/zinc/31/11/79/938311179.db2.gz WNWCGRFWIKEOEO-VNQPRFMTSA-N 2 1 363.552 3.732 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3cccs3)n2)C1 ZINC000650723991 938311180 /nfs/dbraw/zinc/31/11/80/938311180.db2.gz WNWCGRFWIKEOEO-VNQPRFMTSA-N 2 1 363.552 3.732 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(Cl)c1OC ZINC000583592072 938311281 /nfs/dbraw/zinc/31/12/81/938311281.db2.gz QSHWZYNDTYYFCZ-MRXNPFEDSA-N 2 1 352.906 3.521 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278341757 938318886 /nfs/dbraw/zinc/31/88/86/938318886.db2.gz PIKCPFQAYVIDSB-UHFFFAOYSA-N 2 1 367.415 3.896 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583660556 938344855 /nfs/dbraw/zinc/34/48/55/938344855.db2.gz CEIZVNBUFGYQQN-GHTZIAJQSA-N 3 1 369.528 3.888 20 0 FHADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278370345 938355485 /nfs/dbraw/zinc/35/54/85/938355485.db2.gz DMNHQAVGPUWQMG-OSYLJGHBSA-N 2 1 374.422 3.689 20 0 FHADMP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166533766 938434618 /nfs/dbraw/zinc/43/46/18/938434618.db2.gz WZRMELNWBRKLCM-WOJBJXKFSA-N 3 1 361.961 3.768 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1)CC1CC1 ZINC000536141956 938443927 /nfs/dbraw/zinc/44/39/27/938443927.db2.gz YLRWLUAHTKYEFD-UHFFFAOYSA-N 2 1 350.576 3.543 20 0 FHADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)c1 ZINC000467353963 945176313 /nfs/dbraw/zinc/17/63/13/945176313.db2.gz BXHOWOCKHWUKPU-AVRDEDQJSA-N 2 1 353.485 3.826 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000060368546 945181171 /nfs/dbraw/zinc/18/11/71/945181171.db2.gz VNLCEYBWTFFUIS-GJZGRUSLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(OCc2ccccc2)c1 ZINC000151354243 938533150 /nfs/dbraw/zinc/53/31/50/938533150.db2.gz HLXIBNRUAULCFQ-LJQANCHMSA-N 2 1 368.521 3.763 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000158598163 938551619 /nfs/dbraw/zinc/55/16/19/938551619.db2.gz FWRPCCDQFFBZSH-OQLXKQOESA-N 2 1 372.601 3.640 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000584255831 938661384 /nfs/dbraw/zinc/66/13/84/938661384.db2.gz YUBLXUZRMPCKLY-IFXJQAMLSA-N 2 1 351.425 3.974 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302093 938677618 /nfs/dbraw/zinc/67/76/18/938677618.db2.gz RYOZKHSTTYNDMM-NXWXRZEISA-N 2 1 369.475 3.948 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302093 938677619 /nfs/dbraw/zinc/67/76/19/938677619.db2.gz RYOZKHSTTYNDMM-NXWXRZEISA-N 2 1 369.475 3.948 20 0 FHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000657849617 938714332 /nfs/dbraw/zinc/71/43/32/938714332.db2.gz KIMUXTYYAIURPX-KRWDZBQOSA-N 2 1 358.448 3.727 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)CC1 ZINC000584378475 938785525 /nfs/dbraw/zinc/78/55/25/938785525.db2.gz LGZGPZVQALJVHA-OAHLLOKOSA-N 2 1 360.452 3.519 20 0 FHADMP Cn1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(C2CC2)n1 ZINC000892380134 938824578 /nfs/dbraw/zinc/82/45/78/938824578.db2.gz MQOZVCRLXZSNDR-UHFFFAOYSA-N 2 1 367.541 3.688 20 0 FHADMP COc1nccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1F ZINC000892381208 938857575 /nfs/dbraw/zinc/85/75/75/938857575.db2.gz UCIFDZHPIMEBSL-UHFFFAOYSA-N 2 1 372.488 3.619 20 0 FHADMP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090217720 938872415 /nfs/dbraw/zinc/87/24/15/938872415.db2.gz UALYEDAXTYJEFY-SIKLNZKXSA-N 2 1 362.533 3.873 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000090844761 938883327 /nfs/dbraw/zinc/88/33/27/938883327.db2.gz NCKWSDSZOLSPKZ-VGSWGCGISA-N 2 1 368.496 3.987 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541158 938903193 /nfs/dbraw/zinc/90/31/93/938903193.db2.gz IKDPKBUVZMEBAV-PGRDOPGGSA-N 2 1 360.505 3.934 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000093769481 938930060 /nfs/dbraw/zinc/93/00/60/938930060.db2.gz QFKIHDBXTYMTQF-UHFFFAOYSA-N 2 1 351.560 3.591 20 0 FHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000536214322 938930251 /nfs/dbraw/zinc/93/02/51/938930251.db2.gz JQMCRCIQVRZMHM-OAQYLSRUSA-N 2 1 365.521 3.907 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768691 938965922 /nfs/dbraw/zinc/96/59/22/938965922.db2.gz OAPXTXLUWXINOR-RDJZCZTQSA-N 2 1 356.432 3.714 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768691 938965924 /nfs/dbraw/zinc/96/59/24/938965924.db2.gz OAPXTXLUWXINOR-RDJZCZTQSA-N 2 1 356.432 3.714 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000657884613 938971797 /nfs/dbraw/zinc/97/17/97/938971797.db2.gz WZBDIHAUVQEYSP-INMHGKMJSA-N 2 1 355.473 3.807 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000657884613 938971798 /nfs/dbraw/zinc/97/17/98/938971798.db2.gz WZBDIHAUVQEYSP-INMHGKMJSA-N 2 1 355.473 3.807 20 0 FHADMP C[N@@H+](CCCc1c(F)cccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457484 938987863 /nfs/dbraw/zinc/98/78/63/938987863.db2.gz CQMZBQXBRLSAHZ-KRWDZBQOSA-N 2 1 367.940 3.512 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1O ZINC000685646853 939007687 /nfs/dbraw/zinc/00/76/87/939007687.db2.gz UFSSPNLYRPDXCD-HKUYNNGSSA-N 2 1 354.494 3.616 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000685646853 939007688 /nfs/dbraw/zinc/00/76/88/939007688.db2.gz UFSSPNLYRPDXCD-HKUYNNGSSA-N 2 1 354.494 3.616 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093638777 939016310 /nfs/dbraw/zinc/01/63/10/939016310.db2.gz UJQZQXGDDRFWFI-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093638777 939016311 /nfs/dbraw/zinc/01/63/11/939016311.db2.gz UJQZQXGDDRFWFI-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000093638777 939016312 /nfs/dbraw/zinc/01/63/12/939016312.db2.gz UJQZQXGDDRFWFI-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000093638777 939016313 /nfs/dbraw/zinc/01/63/13/939016313.db2.gz UJQZQXGDDRFWFI-RHSMWYFYSA-N 2 1 354.922 3.909 20 0 FHADMP C[C@H](Cn1cncn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658004094 939018511 /nfs/dbraw/zinc/01/85/11/939018511.db2.gz BKHOLUIZYCSXNG-XMMBUWISSA-N 2 1 373.932 3.524 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)C1 ZINC000658136707 939030462 /nfs/dbraw/zinc/03/04/62/939030462.db2.gz IZDSGVZXEYZOCG-QKDPSFTKSA-N 2 1 372.553 3.613 20 0 FHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658136511 939031174 /nfs/dbraw/zinc/03/11/74/939031174.db2.gz DHIHTAPXIFMGEA-SIKLNZKXSA-N 2 1 350.506 3.765 20 0 FHADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(C)c1F ZINC000658143119 939036297 /nfs/dbraw/zinc/03/62/97/939036297.db2.gz WRKQNIRXRDPZKT-DYESRHJHSA-N 2 1 356.485 3.860 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138008 939040429 /nfs/dbraw/zinc/04/04/29/939040429.db2.gz LSLSBGPWLLPOBD-KBXCAEBGSA-N 2 1 362.876 3.897 20 0 FHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138179 939042272 /nfs/dbraw/zinc/04/22/72/939042272.db2.gz NBAMUEHAGXGIGX-DNVCBOLYSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268210 939088677 /nfs/dbraw/zinc/08/86/77/939088677.db2.gz KVLGSYPQTVMFGG-LAUBAEHRSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268210 939088681 /nfs/dbraw/zinc/08/86/81/939088681.db2.gz KVLGSYPQTVMFGG-LAUBAEHRSA-N 2 1 352.526 3.688 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307996 939097750 /nfs/dbraw/zinc/09/77/50/939097750.db2.gz NVDHXVXVWAIEOJ-PZJWPPBQSA-N 2 1 371.569 3.573 20 0 FHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658294085 939100678 /nfs/dbraw/zinc/10/06/78/939100678.db2.gz FXNHHIVDBVNWNZ-FQEVSTJZSA-N 2 1 365.606 3.509 20 0 FHADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318656 939110588 /nfs/dbraw/zinc/11/05/88/939110588.db2.gz RLZYJGXXFRZCPN-UXHICEINSA-N 2 1 350.510 3.610 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320406 939111247 /nfs/dbraw/zinc/11/12/47/939111247.db2.gz WAEFGNLGXHEBNA-WOJBJXKFSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320406 939111250 /nfs/dbraw/zinc/11/12/50/939111250.db2.gz WAEFGNLGXHEBNA-WOJBJXKFSA-N 2 1 352.526 3.763 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000179426298 939161429 /nfs/dbraw/zinc/16/14/29/939161429.db2.gz PQOXMNSJJXQMSG-MRXNPFEDSA-N 2 1 364.534 3.597 20 0 FHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000312932170 945267341 /nfs/dbraw/zinc/26/73/41/945267341.db2.gz ODFBRPCYFLSRGY-PGRDOPGGSA-N 2 1 374.475 3.890 20 0 FHADMP C[C@@H](CC[NH2+]C1CCN(CCC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000507496401 945267695 /nfs/dbraw/zinc/26/76/95/945267695.db2.gz OPOMEPYKXCRZME-KRWDZBQOSA-N 2 1 371.491 3.903 20 0 FHADMP COc1cc2c(c(C[NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@H](C)C2 ZINC000518266170 945269023 /nfs/dbraw/zinc/26/90/23/945269023.db2.gz OLIORRCDEPWJCP-FGTMMUONSA-N 2 1 360.542 3.866 20 0 FHADMP CCC(CC)[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000310512662 939905787 /nfs/dbraw/zinc/90/57/87/939905787.db2.gz ISGJEFKFVHDOEF-GOSISDBHSA-N 2 1 355.567 3.590 20 0 FHADMP Cc1nc(C)c(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)o1 ZINC000628232037 939911781 /nfs/dbraw/zinc/91/17/81/939911781.db2.gz KGYWOLGQWBMORT-CALCHBBNSA-N 2 1 371.525 3.590 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375860419 939982474 /nfs/dbraw/zinc/98/24/74/939982474.db2.gz ICVQWOWINOCMNI-FQEVSTJZSA-N 2 1 350.466 3.802 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)nc1 ZINC000647480754 940063111 /nfs/dbraw/zinc/06/31/11/940063111.db2.gz YVXPIKIEAOAYBC-UGKGYDQZSA-N 2 1 351.494 3.625 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883689 940085034 /nfs/dbraw/zinc/08/50/34/940085034.db2.gz QAJZTFGBVSMOLE-IEBWSBKVSA-N 2 1 367.578 3.686 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883689 940085035 /nfs/dbraw/zinc/08/50/35/940085035.db2.gz QAJZTFGBVSMOLE-IEBWSBKVSA-N 2 1 367.578 3.686 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883689 940085037 /nfs/dbraw/zinc/08/50/37/940085037.db2.gz QAJZTFGBVSMOLE-IEBWSBKVSA-N 2 1 367.578 3.686 20 0 FHADMP c1csc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)c1 ZINC001167986228 945296769 /nfs/dbraw/zinc/29/67/69/945296769.db2.gz BEPOAIWFXXTPMJ-APISQKPESA-N 2 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]3C2)c1 ZINC001167986228 945296776 /nfs/dbraw/zinc/29/67/76/945296776.db2.gz BEPOAIWFXXTPMJ-APISQKPESA-N 3 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)c1 ZINC001167986228 945296783 /nfs/dbraw/zinc/29/67/83/945296783.db2.gz BEPOAIWFXXTPMJ-APISQKPESA-N 3 1 371.594 3.517 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCCC5)[C@@H]3C2)cc1 ZINC000507519945 945299028 /nfs/dbraw/zinc/29/90/28/945299028.db2.gz LQGVXYUROCZODA-OGXDUAGGSA-N 2 1 366.549 3.834 20 0 FHADMP C[C@@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799804 940183251 /nfs/dbraw/zinc/18/32/51/940183251.db2.gz RCGOTVVQQSCIJM-OWLYRPNTSA-N 2 1 356.432 3.739 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000376082353 940286006 /nfs/dbraw/zinc/28/60/06/940286006.db2.gz OABHCYBCDHGCNP-PGRDOPGGSA-N 2 1 369.553 3.545 20 0 FHADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497811 940377404 /nfs/dbraw/zinc/37/74/04/940377404.db2.gz WBMQCOGWPFXFFH-PXNSSMCTSA-N 2 1 364.493 4.000 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497811 940377408 /nfs/dbraw/zinc/37/74/08/940377408.db2.gz WBMQCOGWPFXFFH-PXNSSMCTSA-N 2 1 364.493 4.000 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c(C)n2n1 ZINC000376162187 940392272 /nfs/dbraw/zinc/39/22/72/940392272.db2.gz LNQOYLKWIXUTIZ-XWFZLUIHSA-N 2 1 363.509 3.690 20 0 FHADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)c2ccccc2C1 ZINC000376182612 940431509 /nfs/dbraw/zinc/43/15/09/940431509.db2.gz SEPXCYFVCNKEGU-JOCHJYFZSA-N 2 1 357.542 3.724 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000685849515 940461245 /nfs/dbraw/zinc/46/12/45/940461245.db2.gz LIFNFEIQLMQXQC-SFTDATJTSA-N 2 1 358.526 3.551 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054400 940462221 /nfs/dbraw/zinc/46/22/21/940462221.db2.gz BLGUJSFYZBFBSU-TZIWHRDSSA-N 2 1 363.977 3.983 20 0 FHADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000685850899 940467256 /nfs/dbraw/zinc/46/72/56/940467256.db2.gz MAAMEDKUERKJIW-LEWJYISDSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000685850899 940467259 /nfs/dbraw/zinc/46/72/59/940467259.db2.gz MAAMEDKUERKJIW-LEWJYISDSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000685850899 940467260 /nfs/dbraw/zinc/46/72/60/940467260.db2.gz MAAMEDKUERKJIW-LEWJYISDSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000685850899 940467262 /nfs/dbraw/zinc/46/72/62/940467262.db2.gz MAAMEDKUERKJIW-LEWJYISDSA-N 2 1 365.521 3.661 20 0 FHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc2n(n1)CCC2 ZINC000414080794 940484627 /nfs/dbraw/zinc/48/46/27/940484627.db2.gz DMDYTEDBFINLGB-GOSISDBHSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc2n(n1)CCC2 ZINC000414080797 940484651 /nfs/dbraw/zinc/48/46/51/940484651.db2.gz DMDYTEDBFINLGB-SFHVURJKSA-N 2 1 352.526 3.912 20 0 FHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777269 940492753 /nfs/dbraw/zinc/49/27/53/940492753.db2.gz APZHCDIZHPXUSA-PMACEKPBSA-N 2 1 373.541 3.638 20 0 FHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777269 940492755 /nfs/dbraw/zinc/49/27/55/940492755.db2.gz APZHCDIZHPXUSA-PMACEKPBSA-N 2 1 373.541 3.638 20 0 FHADMP Cc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776926 940493480 /nfs/dbraw/zinc/49/34/80/940493480.db2.gz UZTRKBQNNDZHHB-RTWAWAEBSA-N 2 1 357.542 3.513 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000431782357 940497801 /nfs/dbraw/zinc/49/78/01/940497801.db2.gz OOBWBYWQVCHJMI-JOCHJYFZSA-N 2 1 371.569 3.943 20 0 FHADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000511473230 940505250 /nfs/dbraw/zinc/50/52/50/940505250.db2.gz ICCRALQYJQUDOT-QFIPXVFZSA-N 2 1 365.521 3.533 20 0 FHADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511473230 940505253 /nfs/dbraw/zinc/50/52/53/940505253.db2.gz ICCRALQYJQUDOT-QFIPXVFZSA-N 2 1 365.521 3.533 20 0 FHADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511473230 940505257 /nfs/dbraw/zinc/50/52/57/940505257.db2.gz ICCRALQYJQUDOT-QFIPXVFZSA-N 2 1 365.521 3.533 20 0 FHADMP COc1cccc(C[NH+](C)C/C=C/C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355124 940620690 /nfs/dbraw/zinc/62/06/90/940620690.db2.gz QMSNNSRMXJVQCQ-AATRIKPKSA-N 2 1 354.494 3.824 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414130788 940643891 /nfs/dbraw/zinc/64/38/91/940643891.db2.gz WWHXHZHRKCPOGR-HOJAQTOUSA-N 2 1 350.934 3.803 20 0 FHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173641309 940647684 /nfs/dbraw/zinc/64/76/84/940647684.db2.gz DEACINSULFJZGL-FGTMMUONSA-N 2 1 363.571 3.606 20 0 FHADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173641337 940647854 /nfs/dbraw/zinc/64/78/54/940647854.db2.gz DEACINSULFJZGL-SQNIBIBYSA-N 2 1 363.571 3.606 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1C[C@H]1C ZINC000414151815 940680825 /nfs/dbraw/zinc/68/08/25/940680825.db2.gz WPQJEFKPPYKGBX-NMIHRBCNSA-N 2 1 356.554 3.939 20 0 FHADMP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nc2c(s1)CCC2 ZINC000414159289 940689463 /nfs/dbraw/zinc/68/94/63/940689463.db2.gz VZEZNQXZGZQVSK-HUUCEWRRSA-N 2 1 359.539 3.984 20 0 FHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000414173065 940709388 /nfs/dbraw/zinc/70/93/88/940709388.db2.gz FKCXKVNKZWLMMS-LSTHTHJFSA-N 2 1 350.934 3.752 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000414195900 940745039 /nfs/dbraw/zinc/74/50/39/940745039.db2.gz VDXADMGORSAGAY-UONOGXRCSA-N 2 1 372.294 3.674 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000613491061 940769127 /nfs/dbraw/zinc/76/91/27/940769127.db2.gz DCJXDJCVCZKUCH-LJQANCHMSA-N 2 1 368.949 3.524 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000613492400 940775522 /nfs/dbraw/zinc/77/55/22/940775522.db2.gz LQFZNKKBMHCKCN-SFTDATJTSA-N 2 1 363.590 3.612 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219495 940787363 /nfs/dbraw/zinc/78/73/63/940787363.db2.gz HMVXLJXPKQDFEX-BPCBYJRWSA-N 2 1 350.506 3.942 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219495 940787364 /nfs/dbraw/zinc/78/73/64/940787364.db2.gz HMVXLJXPKQDFEX-BPCBYJRWSA-N 2 1 350.506 3.942 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660585 945363485 /nfs/dbraw/zinc/36/34/85/945363485.db2.gz XCHIHZPUSQKRMN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660585 945363496 /nfs/dbraw/zinc/36/34/96/945363496.db2.gz XCHIHZPUSQKRMN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660585 945363507 /nfs/dbraw/zinc/36/35/07/945363507.db2.gz XCHIHZPUSQKRMN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660585 945363515 /nfs/dbraw/zinc/36/35/15/945363515.db2.gz XCHIHZPUSQKRMN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414326427 940980852 /nfs/dbraw/zinc/98/08/52/940980852.db2.gz ANOFECPCAJNLSC-XNBWIAOKSA-N 2 1 356.554 3.818 20 0 FHADMP COc1c(C)cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000278804394 941027515 /nfs/dbraw/zinc/02/75/15/941027515.db2.gz GBHLVJHMHZUNDI-UHFFFAOYSA-N 2 1 354.498 3.619 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000414358855 941046174 /nfs/dbraw/zinc/04/61/74/941046174.db2.gz CSKGBZPNJSICNE-UHFFFAOYSA-N 2 1 356.489 3.816 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000647543624 941065624 /nfs/dbraw/zinc/06/56/24/941065624.db2.gz QIUUFMDZHKHCJU-RTBURBONSA-N 2 1 352.526 3.607 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543825 941065717 /nfs/dbraw/zinc/06/57/17/941065717.db2.gz SOKAPLKXPHCHDV-LEWJYISDSA-N 2 1 365.521 3.872 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544035 941066051 /nfs/dbraw/zinc/06/60/51/941066051.db2.gz VQJGPTKNXIQKJW-VQTJNVASSA-N 2 1 352.526 3.701 20 0 FHADMP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889309 941067471 /nfs/dbraw/zinc/06/74/71/941067471.db2.gz PFFOZQPXOMAXCG-IBGZPJMESA-N 2 1 357.542 3.626 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000166240120 941227914 /nfs/dbraw/zinc/22/79/14/941227914.db2.gz RAJMKXLAFYFLEE-NQIIRXRSSA-N 2 1 362.477 3.833 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1)C(C)C ZINC000659376440 941238273 /nfs/dbraw/zinc/23/82/73/941238273.db2.gz WCLWDVFABSBYIB-WIYYLYMNSA-N 2 1 359.558 3.897 20 0 FHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000376690878 941374311 /nfs/dbraw/zinc/37/43/11/941374311.db2.gz RCHVPINVLAPDMJ-QGWLNKKWSA-N 2 1 356.510 3.775 20 0 FHADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(Cl)c1 ZINC000278810908 941507597 /nfs/dbraw/zinc/50/75/97/941507597.db2.gz GPAMACCNLBLWBJ-LJQANCHMSA-N 2 1 359.901 3.786 20 0 FHADMP COc1ncc([C@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cc1Cl ZINC000377114634 941523612 /nfs/dbraw/zinc/52/36/12/941523612.db2.gz NDPRUEYGTSEBAX-LBPRGKRZSA-N 2 1 360.820 3.919 20 0 FHADMP c1cc(-c2ccccc2)sc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415051981 941567459 /nfs/dbraw/zinc/56/74/59/941567459.db2.gz KINHNQLFBZWPJJ-UHFFFAOYSA-N 2 1 355.551 3.721 20 0 FHADMP CC(C)(C)[NH2+]CC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415084637 941590209 /nfs/dbraw/zinc/59/02/09/941590209.db2.gz HDDYHRGUAXEILC-UHFFFAOYSA-N 2 1 358.448 3.731 20 0 FHADMP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415083536 941593054 /nfs/dbraw/zinc/59/30/54/941593054.db2.gz NPIYRHWRXVBTDE-WOJBJXKFSA-N 2 1 354.494 3.719 20 0 FHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226507393 941593921 /nfs/dbraw/zinc/59/39/21/941593921.db2.gz ZSRBRXKYTLFUAM-UHFFFAOYSA-N 2 1 350.304 3.817 20 0 FHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226507393 941593926 /nfs/dbraw/zinc/59/39/26/941593926.db2.gz ZSRBRXKYTLFUAM-UHFFFAOYSA-N 2 1 350.304 3.817 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415102498 941605129 /nfs/dbraw/zinc/60/51/29/941605129.db2.gz DUBLJSCYLPHATJ-WMZOPIPTSA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000415109921 941606867 /nfs/dbraw/zinc/60/68/67/941606867.db2.gz OEVRUODENGEIMR-SJORKVTESA-N 2 1 360.395 3.563 20 0 FHADMP CC[C@](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)(C(=O)OC)c1ccccc1 ZINC000415139158 941626843 /nfs/dbraw/zinc/62/68/43/941626843.db2.gz LAVSNAKGBGRKBN-MQSCRBSSSA-N 2 1 366.505 3.590 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)C[C@H](C)O1 ZINC000467194838 941898249 /nfs/dbraw/zinc/89/82/49/941898249.db2.gz DNGFAORTFVQYCZ-SVFBPWRDSA-N 2 1 364.574 3.690 20 0 FHADMP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513408492 941902977 /nfs/dbraw/zinc/90/29/77/941902977.db2.gz NKOZPFBNPQQEQY-HZPDHXFCSA-N 2 1 361.496 3.646 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000377693948 941906945 /nfs/dbraw/zinc/90/69/45/941906945.db2.gz DMXIOGXRXVTBOV-WQTXXOFMSA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693948 941906947 /nfs/dbraw/zinc/90/69/47/941906947.db2.gz DMXIOGXRXVTBOV-WQTXXOFMSA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693948 941906956 /nfs/dbraw/zinc/90/69/56/941906956.db2.gz DMXIOGXRXVTBOV-WQTXXOFMSA-N 2 1 366.509 3.717 20 0 FHADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713495 941919623 /nfs/dbraw/zinc/91/96/23/941919623.db2.gz XXLGIBGDJCZXOA-SFHVURJKSA-N 2 1 350.466 3.925 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccccc4C)c3)C2)CC1 ZINC000093133042 941941339 /nfs/dbraw/zinc/94/13/39/941941339.db2.gz MSDBBWLSYSKIHP-HSZRJFAPSA-N 2 1 363.549 3.874 20 0 FHADMP Cc1[nH]nc2ncc(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513495239 941962411 /nfs/dbraw/zinc/96/24/11/941962411.db2.gz NEXKQICVYQHTKM-LPHOPBHVSA-N 2 1 363.509 3.657 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)o1 ZINC000377761125 941967122 /nfs/dbraw/zinc/96/71/22/941967122.db2.gz LGWNIPJPNHSPIW-UWJYYQICSA-N 2 1 350.466 3.761 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000513510740 941982706 /nfs/dbraw/zinc/98/27/06/941982706.db2.gz FWCSFWCQHZEDIV-SJLPKXTDSA-N 2 1 358.555 3.599 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523822 941995316 /nfs/dbraw/zinc/99/53/16/941995316.db2.gz CLECJKXUHNWDNS-DENIHFKCSA-N 2 1 352.526 3.862 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1nccc2ccccc21 ZINC000377811957 942007428 /nfs/dbraw/zinc/00/74/28/942007428.db2.gz QZHBDFHBYWUFCE-QRKMNUTDSA-N 2 1 353.510 3.775 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1nccc2ccccc21 ZINC000377811957 942007433 /nfs/dbraw/zinc/00/74/33/942007433.db2.gz QZHBDFHBYWUFCE-QRKMNUTDSA-N 2 1 353.510 3.775 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000513627716 942053477 /nfs/dbraw/zinc/05/34/77/942053477.db2.gz XSTLQRDLPAVILM-YADHBBJMSA-N 2 1 365.521 3.704 20 0 FHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893113946 942063184 /nfs/dbraw/zinc/06/31/84/942063184.db2.gz PVAHFZQIILLWBB-ROUUACIJSA-N 2 1 356.432 3.621 20 0 FHADMP CCC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000377926510 942071378 /nfs/dbraw/zinc/07/13/78/942071378.db2.gz NRBZXAYIYLTENT-FPOVZHCZSA-N 2 1 371.569 3.525 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000178700835 942100608 /nfs/dbraw/zinc/10/06/08/942100608.db2.gz LPZBBBLBWOGIDO-ACJLOTCBSA-N 2 1 362.315 3.737 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000415910061 942128628 /nfs/dbraw/zinc/12/86/28/942128628.db2.gz HCRZVCJCLUURCK-UHFFFAOYSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415910988 942144649 /nfs/dbraw/zinc/14/46/49/942144649.db2.gz IRNANLLHXUXNHX-ZWKOTPCHSA-N 2 1 366.509 3.533 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000415911761 942145886 /nfs/dbraw/zinc/14/58/86/942145886.db2.gz JWDYSBAXQGUOCE-IBGZPJMESA-N 2 1 358.530 3.572 20 0 FHADMP CSc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513725774 942157317 /nfs/dbraw/zinc/15/73/17/942157317.db2.gz SGNCDTYUUMEGFJ-UHFFFAOYSA-N 2 1 357.361 3.945 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415926917 942164054 /nfs/dbraw/zinc/16/40/54/942164054.db2.gz BYPPPNPGOAULBB-HDICACEKSA-N 2 1 360.546 3.676 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000501991172 942167683 /nfs/dbraw/zinc/16/76/83/942167683.db2.gz VPNAINMLNNVJSW-TYPHKJRUSA-N 2 1 359.558 3.570 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000415943739 942176826 /nfs/dbraw/zinc/17/68/26/942176826.db2.gz MTKVUOINIDZGCJ-IBGZPJMESA-N 2 1 374.916 3.874 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415954043 942195263 /nfs/dbraw/zinc/19/52/63/942195263.db2.gz LVTBRJPUKJQTNX-YLJYHZDGSA-N 2 1 366.509 3.581 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415962956 942202101 /nfs/dbraw/zinc/20/21/01/942202101.db2.gz UQTGHCGJUAJQMY-LRDDRELGSA-N 2 1 372.435 3.501 20 0 FHADMP Cc1cc(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc(C)n1 ZINC000420853588 942231088 /nfs/dbraw/zinc/23/10/88/942231088.db2.gz XWOFSHXJRSEXMG-UHFFFAOYSA-N 2 1 366.509 3.552 20 0 FHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416009720 942259575 /nfs/dbraw/zinc/25/95/75/942259575.db2.gz NRVSDVLAEBOZCQ-NRFANRHFSA-N 2 1 366.509 3.568 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000416019135 942266936 /nfs/dbraw/zinc/26/69/36/942266936.db2.gz WYEWHCPUBOWXPX-JOCHJYFZSA-N 2 1 366.509 3.582 20 0 FHADMP C[N@H+](Cc1nc2cc(F)ccc2o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024442 942267840 /nfs/dbraw/zinc/26/78/40/942267840.db2.gz BSZNYWBYIBWJGA-UHFFFAOYSA-N 2 1 354.429 3.710 20 0 FHADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023208 942267873 /nfs/dbraw/zinc/26/78/73/942267873.db2.gz SUMZPZJEHUQSIR-UHFFFAOYSA-N 2 1 361.493 3.616 20 0 FHADMP CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025574 942268199 /nfs/dbraw/zinc/26/81/99/942268199.db2.gz QITHRDNTFUNHRP-OAQYLSRUSA-N 2 1 367.493 3.534 20 0 FHADMP CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025574 942268205 /nfs/dbraw/zinc/26/82/05/942268205.db2.gz QITHRDNTFUNHRP-OAQYLSRUSA-N 2 1 367.493 3.534 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000431856881 942285369 /nfs/dbraw/zinc/28/53/69/942285369.db2.gz KAWKBOOQJSMNJR-PZJWPPBQSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431856881 942285376 /nfs/dbraw/zinc/28/53/76/942285376.db2.gz KAWKBOOQJSMNJR-PZJWPPBQSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431856881 942285379 /nfs/dbraw/zinc/28/53/79/942285379.db2.gz KAWKBOOQJSMNJR-PZJWPPBQSA-N 2 1 363.590 3.754 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972365 942286060 /nfs/dbraw/zinc/28/60/60/942286060.db2.gz ANLUEWSXFVEBKU-SFHVURJKSA-N 2 1 363.977 3.936 20 0 FHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000501053970 942290320 /nfs/dbraw/zinc/29/03/20/942290320.db2.gz PCOMPDAYCAZPKZ-OAQYLSRUSA-N 2 1 374.573 3.544 20 0 FHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000378159093 942335944 /nfs/dbraw/zinc/33/59/44/942335944.db2.gz CJLFSICLUZYJMT-HMWDHGCWSA-N 2 1 372.553 3.633 20 0 FHADMP Clc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000419695335 942354625 /nfs/dbraw/zinc/35/46/25/942354625.db2.gz RVUZIOGTOHONSO-SOUVJXGZSA-N 2 1 354.325 3.789 20 0 FHADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000502324894 942355706 /nfs/dbraw/zinc/35/57/06/942355706.db2.gz FTOFWKGIYPMPGX-MRXNPFEDSA-N 2 1 373.570 3.902 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416155976 942405101 /nfs/dbraw/zinc/40/51/01/942405101.db2.gz FVCBWFBOBFCMAG-NRFANRHFSA-N 2 1 359.558 3.650 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416158414 942406852 /nfs/dbraw/zinc/40/68/52/942406852.db2.gz KRDZYWHCEOHENB-QFIPXVFZSA-N 2 1 367.537 3.836 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccnn2C)c1 ZINC000549401561 942415942 /nfs/dbraw/zinc/41/59/42/942415942.db2.gz MPQZDQNWTPNUPW-HXUWFJFHSA-N 2 1 352.526 3.846 20 0 FHADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513713561 942430540 /nfs/dbraw/zinc/43/05/40/942430540.db2.gz QCTMBTTYFQVFMG-BDKRGJGYSA-N 2 1 371.569 3.572 20 0 FHADMP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513714027 942461678 /nfs/dbraw/zinc/46/16/78/942461678.db2.gz XBVDWLHZPIQLRU-IEIRFRATSA-N 2 1 366.553 3.763 20 0 FHADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406588 942480013 /nfs/dbraw/zinc/48/00/13/942480013.db2.gz FODDIWDAGFNDFS-BEFAXECRSA-N 2 1 356.539 3.597 20 0 FHADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406588 942480014 /nfs/dbraw/zinc/48/00/14/942480014.db2.gz FODDIWDAGFNDFS-BEFAXECRSA-N 2 1 356.539 3.597 20 0 FHADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406591 942480038 /nfs/dbraw/zinc/48/00/38/942480038.db2.gz FODDIWDAGFNDFS-KXBFYZLASA-N 2 1 356.539 3.597 20 0 FHADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406591 942480040 /nfs/dbraw/zinc/48/00/40/942480040.db2.gz FODDIWDAGFNDFS-KXBFYZLASA-N 2 1 356.539 3.597 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421338329 942510108 /nfs/dbraw/zinc/51/01/08/942510108.db2.gz FAWOLRBDTFSMLN-QHCPKHFHSA-N 2 1 350.506 3.811 20 0 FHADMP CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414835102 942516931 /nfs/dbraw/zinc/51/69/31/942516931.db2.gz CZUVHPRMKGCDLV-UHFFFAOYSA-N 2 1 371.319 3.608 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)c4ncccc4c3)CC2)CC1 ZINC000421370412 942521788 /nfs/dbraw/zinc/52/17/88/942521788.db2.gz IQHVUUDITMQFPR-UHFFFAOYSA-N 2 1 366.553 3.535 20 0 FHADMP C[NH2+]C[C@@H](C)CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420196355 942570995 /nfs/dbraw/zinc/57/09/95/942570995.db2.gz KUNYIPRNDWJZKO-CQSZACIVSA-N 2 1 369.538 3.687 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000513718168 942576893 /nfs/dbraw/zinc/57/68/93/942576893.db2.gz VZUKXCQREHOOGM-UWHLTILDSA-N 2 1 358.526 3.515 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)on1 ZINC000420293720 942596786 /nfs/dbraw/zinc/59/67/86/942596786.db2.gz RRKCPYAGLJFDPE-KSSFIOAISA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)on1 ZINC000420293720 942596791 /nfs/dbraw/zinc/59/67/91/942596791.db2.gz RRKCPYAGLJFDPE-KSSFIOAISA-N 2 1 351.450 3.673 20 0 FHADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420301804 942611175 /nfs/dbraw/zinc/61/11/75/942611175.db2.gz AZPUBNFRYBIPJA-GHTZIAJQSA-N 2 1 351.494 3.736 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338024 942622832 /nfs/dbraw/zinc/62/28/32/942622832.db2.gz NMUSXIWFYHZCLI-RLLQIKCJSA-N 2 1 363.505 3.612 20 0 FHADMP c1ccc(C(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc2)cc1 ZINC000420345044 942626905 /nfs/dbraw/zinc/62/69/05/942626905.db2.gz UXZDYEVZCUBMND-SZPZYZBQSA-N 2 1 350.506 3.724 20 0 FHADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378350145 942632243 /nfs/dbraw/zinc/63/22/43/942632243.db2.gz MNOQXJVTDOVQIT-UHFFFAOYSA-N 2 1 372.431 3.660 20 0 FHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378350145 942632252 /nfs/dbraw/zinc/63/22/52/942632252.db2.gz MNOQXJVTDOVQIT-UHFFFAOYSA-N 2 1 372.431 3.660 20 0 FHADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333572 942632274 /nfs/dbraw/zinc/63/22/74/942632274.db2.gz FIZHYHPRDRTATJ-SJBKTWHCSA-N 2 1 363.505 3.688 20 0 FHADMP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1Cl ZINC000501771517 942659442 /nfs/dbraw/zinc/65/94/42/942659442.db2.gz GVZWSESZDJZBQC-UHFFFAOYSA-N 2 1 351.922 3.641 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000514009645 942667392 /nfs/dbraw/zinc/66/73/92/942667392.db2.gz JZWULOZUABMGCD-UHFFFAOYSA-N 2 1 374.573 3.592 20 0 FHADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000420474900 942676813 /nfs/dbraw/zinc/67/68/13/942676813.db2.gz FBEWBQIVTYTUNI-IRXDYDNUSA-N 2 1 372.513 3.655 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000501795521 942680877 /nfs/dbraw/zinc/68/08/77/942680877.db2.gz ZBXMYGZLVVSSCY-UHFFFAOYSA-N 2 1 350.572 3.979 20 0 FHADMP CCC[N@H+](Cc1cnoc1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000378403346 942713968 /nfs/dbraw/zinc/71/39/68/942713968.db2.gz XSVSCPCYAPRZPS-UHFFFAOYSA-N 2 1 369.513 3.840 20 0 FHADMP CCC[N@@H+](Cc1cnoc1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000378403346 942713973 /nfs/dbraw/zinc/71/39/73/942713973.db2.gz XSVSCPCYAPRZPS-UHFFFAOYSA-N 2 1 369.513 3.840 20 0 FHADMP Fc1ccc(OC(F)F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000659974951 942718022 /nfs/dbraw/zinc/71/80/22/942718022.db2.gz RXEYDYMWKZIEOZ-UHFFFAOYSA-N 2 1 372.431 3.504 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@H+]1Cc1ccccc1 ZINC000893227568 942726257 /nfs/dbraw/zinc/72/62/57/942726257.db2.gz ZRPQBTSETKSHBC-WBVHZDCISA-N 2 1 356.539 3.806 20 0 FHADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000513755636 942740471 /nfs/dbraw/zinc/74/04/71/942740471.db2.gz TWFIAVJEPBZCPE-KRWDZBQOSA-N 2 1 374.475 3.908 20 0 FHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502795006 942748474 /nfs/dbraw/zinc/74/84/74/942748474.db2.gz JNKMWXBOEMRKOT-RTBURBONSA-N 2 1 374.573 3.680 20 0 FHADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114779 942754885 /nfs/dbraw/zinc/75/48/85/942754885.db2.gz KEADSDNCAOXCFQ-XLIONFOSSA-N 2 1 351.494 3.698 20 0 FHADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114779 942754887 /nfs/dbraw/zinc/75/48/87/942754887.db2.gz KEADSDNCAOXCFQ-XLIONFOSSA-N 2 1 351.494 3.698 20 0 FHADMP Cc1nccn1CCCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000502866769 942813021 /nfs/dbraw/zinc/81/30/21/942813021.db2.gz GLVCNAXUSXJUEH-HXUWFJFHSA-N 2 1 355.461 3.566 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000502866769 942813032 /nfs/dbraw/zinc/81/30/32/942813032.db2.gz GLVCNAXUSXJUEH-HXUWFJFHSA-N 2 1 355.461 3.566 20 0 FHADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642337 942821651 /nfs/dbraw/zinc/82/16/51/942821651.db2.gz GWLIOXWJUQGQCR-SIKLNZKXSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642337 942821654 /nfs/dbraw/zinc/82/16/54/942821654.db2.gz GWLIOXWJUQGQCR-SIKLNZKXSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000434642337 942821657 /nfs/dbraw/zinc/82/16/57/942821657.db2.gz GWLIOXWJUQGQCR-SIKLNZKXSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000434642337 942821660 /nfs/dbraw/zinc/82/16/60/942821660.db2.gz GWLIOXWJUQGQCR-SIKLNZKXSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000421828381 942835949 /nfs/dbraw/zinc/83/59/49/942835949.db2.gz CMCSXEMTLDYZBK-OAHLLOKOSA-N 2 1 354.897 3.645 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000421836008 942839691 /nfs/dbraw/zinc/83/96/91/942839691.db2.gz GFSQLEGECHHCOS-HNAYVOBHSA-N 2 1 374.912 3.766 20 0 FHADMP COc1ccc(OCCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434679052 942849445 /nfs/dbraw/zinc/84/94/45/942849445.db2.gz MHVNEXIPIVAFKR-UHFFFAOYSA-N 2 1 369.509 3.877 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000421847454 942858521 /nfs/dbraw/zinc/85/85/21/942858521.db2.gz XMHKCWDEIWRHCZ-ZOCIIQOWSA-N 2 1 366.933 3.767 20 0 FHADMP OC1(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421848218 942858719 /nfs/dbraw/zinc/85/87/19/942858719.db2.gz AEPQQUKEXMVYHA-BHDDXSALSA-N 2 1 356.554 3.962 20 0 FHADMP C[NH+](C)CC(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000425131884 942859444 /nfs/dbraw/zinc/85/94/44/942859444.db2.gz OCIYRKFBEYVGGQ-UHFFFAOYSA-N 2 1 351.494 3.566 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120254 942916773 /nfs/dbraw/zinc/91/67/73/942916773.db2.gz BBNSVWKXJMOSDP-QHCPKHFHSA-N 2 1 366.505 3.898 20 0 FHADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120254 942916777 /nfs/dbraw/zinc/91/67/77/942916777.db2.gz BBNSVWKXJMOSDP-QHCPKHFHSA-N 2 1 366.505 3.898 20 0 FHADMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120254 942916779 /nfs/dbraw/zinc/91/67/79/942916779.db2.gz BBNSVWKXJMOSDP-QHCPKHFHSA-N 2 1 366.505 3.898 20 0 FHADMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120254 942916783 /nfs/dbraw/zinc/91/67/83/942916783.db2.gz BBNSVWKXJMOSDP-QHCPKHFHSA-N 2 1 366.505 3.898 20 0 FHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000503197935 943047438 /nfs/dbraw/zinc/04/74/38/943047438.db2.gz JTFKGYIMAPPQMT-IMFGXOCKSA-N 2 1 366.571 3.641 20 0 FHADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000503191484 943050963 /nfs/dbraw/zinc/05/09/63/943050963.db2.gz IRZZPMBPGDJLJN-LJQANCHMSA-N 2 1 351.498 3.794 20 0 FHADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000503191484 943050970 /nfs/dbraw/zinc/05/09/70/943050970.db2.gz IRZZPMBPGDJLJN-LJQANCHMSA-N 2 1 351.498 3.794 20 0 FHADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)oc21 ZINC000271870408 943063397 /nfs/dbraw/zinc/06/33/97/943063397.db2.gz MOCHOVTWMZSUIC-IPELMVKDSA-N 2 1 372.509 3.860 20 0 FHADMP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000272239930 943120157 /nfs/dbraw/zinc/12/01/57/943120157.db2.gz VEPVCKVYDNGEGK-RTWAWAEBSA-N 2 1 370.541 3.540 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000414662366 943145203 /nfs/dbraw/zinc/14/52/03/943145203.db2.gz RDMDRHKSCZTPHE-GCJKJVERSA-N 2 1 360.505 3.768 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664867 943155822 /nfs/dbraw/zinc/15/58/22/943155822.db2.gz UJSOCIREMOLDBY-HUUCEWRRSA-N 2 1 360.933 3.992 20 0 FHADMP COc1ccccc1CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000505601200 943157853 /nfs/dbraw/zinc/15/78/53/943157853.db2.gz COXGRYOTFJJNII-UHFFFAOYSA-N 2 1 353.510 3.871 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414663682 943158249 /nfs/dbraw/zinc/15/82/49/943158249.db2.gz BSCUGGBASLUUFH-HNNXBMFYSA-N 2 1 360.933 3.865 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414663682 943158255 /nfs/dbraw/zinc/15/82/55/943158255.db2.gz BSCUGGBASLUUFH-HNNXBMFYSA-N 2 1 360.933 3.865 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000414672493 943190794 /nfs/dbraw/zinc/19/07/94/943190794.db2.gz PNHWTENFKVMYAI-PWIZWCRZSA-N 2 1 362.477 3.610 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000422631203 943214348 /nfs/dbraw/zinc/21/43/48/943214348.db2.gz FGBTUEVJRHHYCI-MBOZVWFJSA-N 2 1 351.494 3.744 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422730688 943249006 /nfs/dbraw/zinc/24/90/06/943249006.db2.gz FFRZWLHUDPZDMS-FDDCHVKYSA-N 2 1 366.553 3.973 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000511592633 943255644 /nfs/dbraw/zinc/25/56/44/943255644.db2.gz LPDMXHOBUSYOQG-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757805 943262344 /nfs/dbraw/zinc/26/23/44/943262344.db2.gz MZBYGCNZSDKACO-AFXVXQJMSA-N 2 1 371.569 3.733 20 0 FHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000416969630 943262875 /nfs/dbraw/zinc/26/28/75/943262875.db2.gz CDYADCPZYHHTDB-GHTZIAJQSA-N 2 1 374.573 3.576 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422748861 943270573 /nfs/dbraw/zinc/27/05/73/943270573.db2.gz WNTGUGRJUZRHPA-FUHWJXTLSA-N 2 1 352.526 3.725 20 0 FHADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755473 943274068 /nfs/dbraw/zinc/27/40/68/943274068.db2.gz HYQFOJZAWSAELO-GPJHCHHRSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1c[nH+]ccc1N ZINC000422878908 943314401 /nfs/dbraw/zinc/31/44/01/943314401.db2.gz LGGJFTMSVPQOAV-OAHLLOKOSA-N 3 1 358.917 3.710 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422880982 943315212 /nfs/dbraw/zinc/31/52/12/943315212.db2.gz YDPUQMCHBKZFPZ-BRWVUGGUSA-N 2 1 354.441 3.697 20 0 FHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813112 943316955 /nfs/dbraw/zinc/31/69/55/943316955.db2.gz XLPXNEODGRQYCL-KBPBESRZSA-N 2 1 357.311 3.841 20 0 FHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813113 943317047 /nfs/dbraw/zinc/31/70/47/943317047.db2.gz XLPXNEODGRQYCL-KGLIPLIRSA-N 2 1 357.311 3.841 20 0 FHADMP C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889985 943319540 /nfs/dbraw/zinc/31/95/40/943319540.db2.gz HECBQSXPRGKIAD-FGTMMUONSA-N 2 1 352.526 3.823 20 0 FHADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422892350 943320133 /nfs/dbraw/zinc/32/01/33/943320133.db2.gz MWGSRDHQGPNSRC-JVPBZIDWSA-N 2 1 356.466 3.516 20 0 FHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000422904867 943326614 /nfs/dbraw/zinc/32/66/14/943326614.db2.gz QXIFORUDWLUIRT-QAPCUYQASA-N 2 1 366.933 3.517 20 0 FHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422942465 943340139 /nfs/dbraw/zinc/34/01/39/943340139.db2.gz KIOGJQHUCWVBSN-XGHQBKJUSA-N 2 1 353.510 3.719 20 0 FHADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154120 943341123 /nfs/dbraw/zinc/34/11/23/943341123.db2.gz IZCOHVOFJXGVKP-PRTQVNTJSA-N 2 1 355.570 3.528 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435374238 943355875 /nfs/dbraw/zinc/35/58/75/943355875.db2.gz XAFOIUMMWVZLJP-KSSFIOAISA-N 2 1 360.933 3.761 20 0 FHADMP CC[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022464 943367039 /nfs/dbraw/zinc/36/70/39/943367039.db2.gz HSEPYYAAERTELD-FCLVOEFKSA-N 2 1 353.913 3.592 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022464 943367045 /nfs/dbraw/zinc/36/70/45/943367045.db2.gz HSEPYYAAERTELD-FCLVOEFKSA-N 2 1 353.913 3.592 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1c[nH+]ccc1N ZINC000423022241 943367180 /nfs/dbraw/zinc/36/71/80/943367180.db2.gz HFCRBPGLJNIPIO-CFZJUORYSA-N 2 1 362.880 3.630 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435381943 943370978 /nfs/dbraw/zinc/37/09/78/943370978.db2.gz YSQSNLGLIXBYJG-INIZCTEOSA-N 2 1 357.885 3.634 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435381943 943370985 /nfs/dbraw/zinc/37/09/85/943370985.db2.gz YSQSNLGLIXBYJG-INIZCTEOSA-N 2 1 357.885 3.634 20 0 FHADMP CC(C)c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713235 943373685 /nfs/dbraw/zinc/37/36/85/943373685.db2.gz UDRPPLHLYBJJSF-GHTZIAJQSA-N 2 1 357.542 3.534 20 0 FHADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423059719 943378079 /nfs/dbraw/zinc/37/80/79/943378079.db2.gz MUKGWRUNXDZSPZ-BVPBIZIASA-N 2 1 356.432 3.556 20 0 FHADMP CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392719 943378856 /nfs/dbraw/zinc/37/88/56/943378856.db2.gz HPCKOMUTBMAHSF-LJQANCHMSA-N 2 1 359.539 3.995 20 0 FHADMP [NH3+][C@H]1C[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000423083941 943387997 /nfs/dbraw/zinc/38/79/97/943387997.db2.gz ZQQXPUNPSCNZRZ-HOTGVXAUSA-N 2 1 351.372 3.604 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435396330 943390131 /nfs/dbraw/zinc/39/01/31/943390131.db2.gz YDIQUIVMWBJZLC-GOSISDBHSA-N 2 1 352.526 3.657 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435396330 943390137 /nfs/dbraw/zinc/39/01/37/943390137.db2.gz YDIQUIVMWBJZLC-GOSISDBHSA-N 2 1 352.526 3.657 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423101361 943394536 /nfs/dbraw/zinc/39/45/36/943394536.db2.gz CSXIPKIIAJNFGY-SECBINFHSA-N 2 1 370.241 3.740 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423121483 943396952 /nfs/dbraw/zinc/39/69/52/943396952.db2.gz ILNDTMCZQJDEOL-HNNXBMFYSA-N 2 1 356.514 3.910 20 0 FHADMP CC(=O)Nc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435420886 943400001 /nfs/dbraw/zinc/40/00/01/943400001.db2.gz GHPXJDGQGNIHAX-HXUWFJFHSA-N 2 1 369.534 3.851 20 0 FHADMP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423107692 943403879 /nfs/dbraw/zinc/40/38/79/943403879.db2.gz QANYTWARTQTUAV-JEBQAFNWSA-N 2 1 356.432 3.903 20 0 FHADMP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112834 943405745 /nfs/dbraw/zinc/40/57/45/943405745.db2.gz YCFCOJWUCYUUFK-YLJYHZDGSA-N 2 1 358.482 3.893 20 0 FHADMP COc1c(O)cccc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435429290 943408184 /nfs/dbraw/zinc/40/81/84/943408184.db2.gz VMABGNUADLJTSY-GOSISDBHSA-N 2 1 358.507 3.607 20 0 FHADMP COc1c(O)cccc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435429290 943408186 /nfs/dbraw/zinc/40/81/86/943408186.db2.gz VMABGNUADLJTSY-GOSISDBHSA-N 2 1 358.507 3.607 20 0 FHADMP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191596 943436546 /nfs/dbraw/zinc/43/65/46/943436546.db2.gz SZBBXNHBZYAUGK-IBGZPJMESA-N 2 1 374.326 3.991 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)c(F)c1 ZINC000423194185 943437670 /nfs/dbraw/zinc/43/76/70/943437670.db2.gz YIJKWXUFMWXZRF-CYBMUJFWSA-N 2 1 366.278 3.814 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215902 943446413 /nfs/dbraw/zinc/44/64/13/943446413.db2.gz PDADYADARLAQSS-XJTAFEHASA-N 3 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215902 943446416 /nfs/dbraw/zinc/44/64/16/943446416.db2.gz PDADYADARLAQSS-XJTAFEHASA-N 2 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215902 943446422 /nfs/dbraw/zinc/44/64/22/943446422.db2.gz PDADYADARLAQSS-XJTAFEHASA-N 2 1 353.554 3.550 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423250433 943459596 /nfs/dbraw/zinc/45/95/96/943459596.db2.gz VAJOPQYMCZCBHM-SXSPYAJSSA-N 2 1 366.553 3.705 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000423317901 943474431 /nfs/dbraw/zinc/47/44/31/943474431.db2.gz BEYIELKITSWABT-LAQRGFTBSA-N 2 1 356.432 3.851 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000515063752 943482513 /nfs/dbraw/zinc/48/25/13/943482513.db2.gz ZJJQNGJUMVSYEZ-PMACEKPBSA-N 2 1 360.505 3.823 20 0 FHADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370961 943485759 /nfs/dbraw/zinc/48/57/59/943485759.db2.gz GEAHFODCFPGGBP-KRWDZBQOSA-N 2 1 361.258 3.969 20 0 FHADMP c1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167959449 943486444 /nfs/dbraw/zinc/48/64/44/943486444.db2.gz PTRNVXYWMULBNZ-NOTZXAQLSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167959449 943486447 /nfs/dbraw/zinc/48/64/47/943486447.db2.gz PTRNVXYWMULBNZ-NOTZXAQLSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167959449 943486451 /nfs/dbraw/zinc/48/64/51/943486451.db2.gz PTRNVXYWMULBNZ-NOTZXAQLSA-N 2 1 353.554 3.646 20 0 FHADMP CSCC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423357416 943489697 /nfs/dbraw/zinc/48/96/97/943489697.db2.gz AKEKDBMXKPKMRY-HOUAELIMSA-N 2 1 354.510 3.922 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423371605 943494529 /nfs/dbraw/zinc/49/45/29/943494529.db2.gz HQQSGIXEZLXQMJ-AHCXZYCDSA-N 2 1 350.478 3.565 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(Br)c1 ZINC000423396677 943500707 /nfs/dbraw/zinc/50/07/07/943500707.db2.gz SHMCMHDTVQRZPF-LBPRGKRZSA-N 2 1 361.283 3.912 20 0 FHADMP CC1CC[NH+](CCC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)cc2)CC1 ZINC000423402170 943507730 /nfs/dbraw/zinc/50/77/30/943507730.db2.gz RJDPIPRLZLLGKD-BWAGFHJFSA-N 2 1 361.549 3.967 20 0 FHADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743364 943514297 /nfs/dbraw/zinc/51/42/97/943514297.db2.gz ITBOGRKRXCUVIQ-ZWKOTPCHSA-N 2 1 365.521 3.563 20 0 FHADMP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423498057 943529105 /nfs/dbraw/zinc/52/91/05/943529105.db2.gz ZUGOIAMOGLURFI-FUHWJXTLSA-N 2 1 350.915 3.653 20 0 FHADMP Fc1ccccc1[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423511147 943541381 /nfs/dbraw/zinc/54/13/81/943541381.db2.gz NLAPCIQXYISFGM-OBFZPWGMSA-N 2 1 359.533 3.863 20 0 FHADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)c1 ZINC000423517370 943543324 /nfs/dbraw/zinc/54/33/24/943543324.db2.gz YEFJMPOXCLRQCA-PPXMBRMGSA-N 2 1 361.961 3.782 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518044 943543924 /nfs/dbraw/zinc/54/39/24/943543924.db2.gz ZCSNVHZIENLEFL-KDOFPFPSSA-N 2 1 358.482 3.625 20 0 FHADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(N2CCCC2=O)c1 ZINC000423527470 943547225 /nfs/dbraw/zinc/54/72/25/943547225.db2.gz MODXMGDVFROPBI-WCIFCTNGSA-N 2 1 367.537 3.618 20 0 FHADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000423526662 943547462 /nfs/dbraw/zinc/54/74/62/943547462.db2.gz ZVXILLRNSIUVPK-JLLPCOHGSA-N 3 1 363.549 3.967 20 0 FHADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000423541729 943552519 /nfs/dbraw/zinc/55/25/19/943552519.db2.gz LPTBWQAKZNRGGG-QGZVFWFLSA-N 2 1 352.482 3.591 20 0 FHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435691233 943559561 /nfs/dbraw/zinc/55/95/61/943559561.db2.gz FTVCRCJSYQBPCR-IBGZPJMESA-N 2 1 369.534 3.721 20 0 FHADMP Cc1ncsc1C[N@H+](CCc1c(F)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000435733091 943574830 /nfs/dbraw/zinc/57/48/30/943574830.db2.gz AHGNDJGREAPQFI-CQSZACIVSA-N 2 1 367.921 3.898 20 0 FHADMP Cc1ncsc1C[N@@H+](CCc1c(F)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000435733091 943574835 /nfs/dbraw/zinc/57/48/35/943574835.db2.gz AHGNDJGREAPQFI-CQSZACIVSA-N 2 1 367.921 3.898 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000423822069 943620116 /nfs/dbraw/zinc/62/01/16/943620116.db2.gz IITDWWYUWCCFSS-FASAQXTFSA-N 2 1 357.885 3.535 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000423822069 943620117 /nfs/dbraw/zinc/62/01/17/943620117.db2.gz IITDWWYUWCCFSS-FASAQXTFSA-N 2 1 357.885 3.535 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1noc2c1CCCC2 ZINC000647934104 943637814 /nfs/dbraw/zinc/63/78/14/943637814.db2.gz RJYVHIVMRDULLU-WIYYLYMNSA-N 2 1 353.510 3.726 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000647934104 943637819 /nfs/dbraw/zinc/63/78/19/943637819.db2.gz RJYVHIVMRDULLU-WIYYLYMNSA-N 2 1 353.510 3.726 20 0 FHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000423967902 943651645 /nfs/dbraw/zinc/65/16/45/943651645.db2.gz TVCPHPGIEHRHAV-JOCHJYFZSA-N 2 1 365.521 3.566 20 0 FHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587520 943735181 /nfs/dbraw/zinc/73/51/81/943735181.db2.gz SMLJOFVTTLEXFG-AZUAARDMSA-N 2 1 374.573 3.666 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)[C@H]1C[C@@H]1c1cccs1 ZINC000367439995 943740271 /nfs/dbraw/zinc/74/02/71/943740271.db2.gz YWSGRVRDAKWLOB-AHRSYUTCSA-N 2 1 355.551 3.932 20 0 FHADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846978 943759908 /nfs/dbraw/zinc/75/99/08/943759908.db2.gz VJRLBJAZWOHXKJ-JXFKEZNVSA-N 2 1 364.468 3.990 20 0 FHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846978 943759913 /nfs/dbraw/zinc/75/99/13/943759913.db2.gz VJRLBJAZWOHXKJ-JXFKEZNVSA-N 2 1 364.468 3.990 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414777998 943779596 /nfs/dbraw/zinc/77/95/96/943779596.db2.gz IUOPXOXIZRHQGC-CVEARBPZSA-N 2 1 352.906 3.569 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CC12CCOCC2 ZINC000414778890 943793078 /nfs/dbraw/zinc/79/30/78/943793078.db2.gz JNANTHATRQNFIQ-INIZCTEOSA-N 2 1 360.498 3.742 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424302496 943821111 /nfs/dbraw/zinc/82/11/11/943821111.db2.gz ZRGWYJZJMJWFSS-HNNXBMFYSA-N 2 1 357.523 3.783 20 0 FHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278654 943833095 /nfs/dbraw/zinc/83/30/95/943833095.db2.gz DSTJAXJOOCUCMG-OXQOHEQNSA-N 2 1 352.457 3.592 20 0 FHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278654 943833099 /nfs/dbraw/zinc/83/30/99/943833099.db2.gz DSTJAXJOOCUCMG-OXQOHEQNSA-N 2 1 352.457 3.592 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424284696 943837190 /nfs/dbraw/zinc/83/71/90/943837190.db2.gz DPPLXYNHDNNOCC-QGZVFWFLSA-N 2 1 351.494 3.632 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000660268096 943837750 /nfs/dbraw/zinc/83/77/50/943837750.db2.gz CCUTWBSBCRFANS-CYGODWOOSA-N 2 1 360.505 3.876 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000660268096 943837754 /nfs/dbraw/zinc/83/77/54/943837754.db2.gz CCUTWBSBCRFANS-CYGODWOOSA-N 2 1 360.505 3.876 20 0 FHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873183 943837787 /nfs/dbraw/zinc/83/77/87/943837787.db2.gz ULQYIEVLGQMBMO-AZUAARDMSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873183 943837788 /nfs/dbraw/zinc/83/77/88/943837788.db2.gz ULQYIEVLGQMBMO-AZUAARDMSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873183 943837796 /nfs/dbraw/zinc/83/77/96/943837796.db2.gz ULQYIEVLGQMBMO-AZUAARDMSA-N 2 1 357.542 3.593 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000516970681 943871522 /nfs/dbraw/zinc/87/15/22/943871522.db2.gz YYYYEGPEEJCGKZ-VXKWHMMOSA-N 2 1 366.553 3.678 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1nc3cc(C(F)(F)F)ccc3n1C)CC[NH2+]CC2 ZINC000424375318 943885527 /nfs/dbraw/zinc/88/55/27/943885527.db2.gz JKMIBAKACAMQLP-ZDUSSCGKSA-N 2 1 366.431 3.556 20 0 FHADMP Cc1nc(COc2ccc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2)cs1 ZINC000424378812 943888050 /nfs/dbraw/zinc/88/80/50/943888050.db2.gz NWXXPQXYCIAPSZ-MRXNPFEDSA-N 2 1 371.550 3.995 20 0 FHADMP COC(=O)[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431994 943908469 /nfs/dbraw/zinc/90/84/69/943908469.db2.gz JKJSRQFFIZSCHT-HFSMHLIXSA-N 2 1 358.526 3.576 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000417878749 943919944 /nfs/dbraw/zinc/91/99/44/943919944.db2.gz PCERUGYDDXFDCE-TZIWHRDSSA-N 2 1 374.573 3.625 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424429443 943923837 /nfs/dbraw/zinc/92/38/37/943923837.db2.gz XAKMPORTEJEMJU-QZTJIDSGSA-N 2 1 366.509 3.580 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000424432975 943927397 /nfs/dbraw/zinc/92/73/97/943927397.db2.gz HWSMBSVCKBWEGD-SFHVURJKSA-N 2 1 372.557 3.962 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789233 943930472 /nfs/dbraw/zinc/93/04/72/943930472.db2.gz YDRJZFNWJKDFDE-MOPGFXCFSA-N 2 1 352.526 3.817 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414790050 943936078 /nfs/dbraw/zinc/93/60/78/943936078.db2.gz ZIBQHKSYYXSUFI-AWEZNQCLSA-N 2 1 357.325 3.613 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000414790016 943936141 /nfs/dbraw/zinc/93/61/41/943936141.db2.gz PGSIMMIXIHXBGX-CVEARBPZSA-N 2 1 362.823 3.687 20 0 FHADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790531 943939108 /nfs/dbraw/zinc/93/91/08/943939108.db2.gz ZZIOKPACNPQNKW-LSDHHAIUSA-N 2 1 360.395 3.588 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1c(C)cccc1C)C[C@@H]1CC[NH2+]C1 ZINC000436057971 943978949 /nfs/dbraw/zinc/97/89/49/943978949.db2.gz XAYHICDGPXGWBH-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1c(C)cccc1C)C[C@@H]1CC[NH2+]C1 ZINC000436057971 943978953 /nfs/dbraw/zinc/97/89/53/943978953.db2.gz XAYHICDGPXGWBH-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414806087 944032933 /nfs/dbraw/zinc/03/29/33/944032933.db2.gz HBQBTSZLBURTTD-UHFFFAOYSA-N 2 1 363.509 3.601 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc(-c5ccccn5)nc4)C[C@H]3C2)cc1 ZINC000425480857 944061625 /nfs/dbraw/zinc/06/16/25/944061625.db2.gz PLAYSTYMSUHMIM-SZPZYZBQSA-N 2 1 370.500 3.707 20 0 FHADMP C[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195899 944078640 /nfs/dbraw/zinc/07/86/40/944078640.db2.gz FXEAKLBTFARETN-KNQAVFIVSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1Cc1ccccc1 ZINC000517195899 944078645 /nfs/dbraw/zinc/07/86/45/944078645.db2.gz FXEAKLBTFARETN-KNQAVFIVSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000517195899 944078652 /nfs/dbraw/zinc/07/86/52/944078652.db2.gz FXEAKLBTFARETN-KNQAVFIVSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195899 944078665 /nfs/dbraw/zinc/07/86/65/944078665.db2.gz FXEAKLBTFARETN-KNQAVFIVSA-N 2 1 364.537 3.825 20 0 FHADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000500113881 944121405 /nfs/dbraw/zinc/12/14/05/944121405.db2.gz OXRIEUCJUBAZBR-UHFFFAOYSA-N 2 1 371.319 3.517 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129029 944143685 /nfs/dbraw/zinc/14/36/85/944143685.db2.gz KBCCFDPREOQUMP-LJQANCHMSA-N 2 1 358.526 3.806 20 0 FHADMP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000425912124 944151330 /nfs/dbraw/zinc/15/13/30/944151330.db2.gz CNHVVXYMNOHOQX-JREAUHRESA-N 2 1 372.553 3.986 20 0 FHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436282891 944161843 /nfs/dbraw/zinc/16/18/43/944161843.db2.gz SEBPVHKAODDBIG-ROUUACIJSA-N 2 1 358.505 3.528 20 0 FHADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267642 944170843 /nfs/dbraw/zinc/17/08/43/944170843.db2.gz CCGQTZOCJAFOLT-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267642 944170846 /nfs/dbraw/zinc/17/08/46/944170846.db2.gz CCGQTZOCJAFOLT-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267642 944170848 /nfs/dbraw/zinc/17/08/48/944170848.db2.gz CCGQTZOCJAFOLT-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267642 944170849 /nfs/dbraw/zinc/17/08/49/944170849.db2.gz CCGQTZOCJAFOLT-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP CCCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000515756146 944184739 /nfs/dbraw/zinc/18/47/39/944184739.db2.gz NLLORXRCGFGELA-RTBURBONSA-N 2 1 359.558 3.703 20 0 FHADMP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000418137536 944191082 /nfs/dbraw/zinc/19/10/82/944191082.db2.gz DZFFZOFUEJZPML-SFTDATJTSA-N 2 1 372.557 3.563 20 0 FHADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000518285936 944235982 /nfs/dbraw/zinc/23/59/82/944235982.db2.gz ZZXPEHRVKZJTNG-SFHVURJKSA-N 2 1 362.514 3.737 20 0 FHADMP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167974857 944251979 /nfs/dbraw/zinc/25/19/79/944251979.db2.gz CIDKIYKWRIPGFK-YQQQUEKLSA-N 2 1 358.501 3.826 20 0 FHADMP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167974857 944251985 /nfs/dbraw/zinc/25/19/85/944251985.db2.gz CIDKIYKWRIPGFK-YQQQUEKLSA-N 2 1 358.501 3.826 20 0 FHADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC(F)(F)CC1 ZINC001167975220 944282484 /nfs/dbraw/zinc/28/24/84/944282484.db2.gz MOOOCUBKGQAWLC-AYHJJNSGSA-N 2 1 356.501 3.824 20 0 FHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1)C(C)C ZINC000101627231 944286729 /nfs/dbraw/zinc/28/67/29/944286729.db2.gz OBVCBKNTDIWMBP-IBGZPJMESA-N 2 1 357.498 3.543 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1)C(C)C ZINC000101627231 944286740 /nfs/dbraw/zinc/28/67/40/944286740.db2.gz OBVCBKNTDIWMBP-IBGZPJMESA-N 2 1 357.498 3.543 20 0 FHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475099 944287905 /nfs/dbraw/zinc/28/79/05/944287905.db2.gz SFNWXMYQYQWEOZ-IVAOSVALSA-N 2 1 363.590 3.752 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475567 944293727 /nfs/dbraw/zinc/29/37/27/944293727.db2.gz XZNSFMYGKUOVDR-NHCUHLMSSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475567 944293734 /nfs/dbraw/zinc/29/37/34/944293734.db2.gz XZNSFMYGKUOVDR-NHCUHLMSSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000506475567 944293746 /nfs/dbraw/zinc/29/37/46/944293746.db2.gz XZNSFMYGKUOVDR-NHCUHLMSSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000506475567 944293756 /nfs/dbraw/zinc/29/37/56/944293756.db2.gz XZNSFMYGKUOVDR-NHCUHLMSSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000550161447 944305945 /nfs/dbraw/zinc/30/59/45/944305945.db2.gz LTBIMNMEVQKJRQ-MOPGFXCFSA-N 2 1 357.542 3.593 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000111556652 944311424 /nfs/dbraw/zinc/31/14/24/944311424.db2.gz VOQLFWZXOMFIET-SFHVURJKSA-N 2 1 363.505 3.668 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000111556652 944311432 /nfs/dbraw/zinc/31/14/32/944311432.db2.gz VOQLFWZXOMFIET-SFHVURJKSA-N 2 1 363.505 3.668 20 0 FHADMP Cc1cc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000436442822 944317836 /nfs/dbraw/zinc/31/78/36/944317836.db2.gz QYNZRBHKFFKVCJ-OAHLLOKOSA-N 2 1 361.917 3.786 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438101358 944341209 /nfs/dbraw/zinc/34/12/09/944341209.db2.gz FZQRXNNUQNKDPA-UHFFFAOYSA-N 2 1 361.505 3.877 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)on1 ZINC000518393072 944347244 /nfs/dbraw/zinc/34/72/44/944347244.db2.gz JFRKHDDKMDXTSY-GDBMZVCRSA-N 2 1 351.450 3.815 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)on1 ZINC000518393072 944347253 /nfs/dbraw/zinc/34/72/53/944347253.db2.gz JFRKHDDKMDXTSY-GDBMZVCRSA-N 2 1 351.450 3.815 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001167752260 944354683 /nfs/dbraw/zinc/35/46/83/944354683.db2.gz SSAWGBDOLOJFQI-SFHVURJKSA-N 2 1 368.525 3.748 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000894316213 944370067 /nfs/dbraw/zinc/37/00/67/944370067.db2.gz JZSTUCYNQAUOCD-QRWLVFNGSA-N 2 1 350.466 3.531 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000894316213 944370074 /nfs/dbraw/zinc/37/00/74/944370074.db2.gz JZSTUCYNQAUOCD-QRWLVFNGSA-N 2 1 350.466 3.531 20 0 FHADMP CC1(C)C[N@H+](Cc2ncccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838102 944405313 /nfs/dbraw/zinc/40/53/13/944405313.db2.gz QSQNOPXQRAGSKU-NRFANRHFSA-N 2 1 350.510 3.599 20 0 FHADMP CC1(C)C[N@@H+](Cc2ncccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838102 944405317 /nfs/dbraw/zinc/40/53/17/944405317.db2.gz QSQNOPXQRAGSKU-NRFANRHFSA-N 2 1 350.510 3.599 20 0 FHADMP COCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC(F)(F)CC1 ZINC001167977851 944432293 /nfs/dbraw/zinc/43/22/93/944432293.db2.gz GMKRVAGLFSOPGS-AYHJJNSGSA-N 2 1 356.501 3.966 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981952 944492332 /nfs/dbraw/zinc/49/23/32/944492332.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981952 944492337 /nfs/dbraw/zinc/49/23/37/944492337.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981952 944492341 /nfs/dbraw/zinc/49/23/41/944492341.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981952 944492345 /nfs/dbraw/zinc/49/23/45/944492345.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981952 944492351 /nfs/dbraw/zinc/49/23/51/944492351.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 2 1 367.581 3.892 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577479 944497267 /nfs/dbraw/zinc/49/72/67/944497267.db2.gz CGALQUCBANIIHB-QRVBRYPASA-N 2 1 370.459 3.988 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577479 944497269 /nfs/dbraw/zinc/49/72/69/944497269.db2.gz CGALQUCBANIIHB-QRVBRYPASA-N 2 1 370.459 3.988 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390581679 944513581 /nfs/dbraw/zinc/51/35/81/944513581.db2.gz DSFSVNSEORKZGA-FPOVZHCZSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390581679 944513583 /nfs/dbraw/zinc/51/35/83/944513583.db2.gz DSFSVNSEORKZGA-FPOVZHCZSA-N 2 1 352.526 3.688 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350340 944529109 /nfs/dbraw/zinc/52/91/09/944529109.db2.gz HMBKTVNYMBGUQD-AEFFLSMTSA-N 2 1 358.555 3.704 20 0 FHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237844 944530709 /nfs/dbraw/zinc/53/07/09/944530709.db2.gz AATWFGFFONSTOC-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237844 944530714 /nfs/dbraw/zinc/53/07/14/944530714.db2.gz AATWFGFFONSTOC-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237844 944530723 /nfs/dbraw/zinc/53/07/23/944530723.db2.gz AATWFGFFONSTOC-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237844 944530724 /nfs/dbraw/zinc/53/07/24/944530724.db2.gz AATWFGFFONSTOC-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(C)ccc1OC ZINC000518607630 944531414 /nfs/dbraw/zinc/53/14/14/944531414.db2.gz IGYZXSKZGQWEEI-LJQANCHMSA-N 2 1 357.498 3.580 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964336 944534800 /nfs/dbraw/zinc/53/48/00/944534800.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964336 944534807 /nfs/dbraw/zinc/53/48/07/944534807.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964336 944534810 /nfs/dbraw/zinc/53/48/10/944534810.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964336 944534814 /nfs/dbraw/zinc/53/48/14/944534814.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964336 944534818 /nfs/dbraw/zinc/53/48/18/944534818.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964336 944534823 /nfs/dbraw/zinc/53/48/23/944534823.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964336 944534825 /nfs/dbraw/zinc/53/48/25/944534825.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 3 1 353.554 3.504 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC000426356091 944544807 /nfs/dbraw/zinc/54/48/07/944544807.db2.gz HBHIYFATYDRWOK-JENIJYKNSA-N 2 1 360.542 3.965 20 0 FHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2C1 ZINC000425991051 944561647 /nfs/dbraw/zinc/56/16/47/944561647.db2.gz RHLCJCHITUMWID-GASCZTMLSA-N 2 1 361.283 3.703 20 0 FHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2C1 ZINC000425991051 944561654 /nfs/dbraw/zinc/56/16/54/944561654.db2.gz RHLCJCHITUMWID-GASCZTMLSA-N 2 1 361.283 3.703 20 0 FHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2C1 ZINC000425991051 944561657 /nfs/dbraw/zinc/56/16/57/944561657.db2.gz RHLCJCHITUMWID-GASCZTMLSA-N 2 1 361.283 3.703 20 0 FHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2C1 ZINC000425991051 944561661 /nfs/dbraw/zinc/56/16/61/944561661.db2.gz RHLCJCHITUMWID-GASCZTMLSA-N 2 1 361.283 3.703 20 0 FHADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000759870692 944652712 /nfs/dbraw/zinc/65/27/12/944652712.db2.gz YJPNRTJMFNHPFX-ZBQZNYHESA-N 2 1 354.897 3.755 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000517899185 944792075 /nfs/dbraw/zinc/79/20/75/944792075.db2.gz NTAZHEXHCBQUQX-LJQANCHMSA-N 2 1 358.530 3.667 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000517899185 944792084 /nfs/dbraw/zinc/79/20/84/944792084.db2.gz NTAZHEXHCBQUQX-LJQANCHMSA-N 2 1 358.530 3.667 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000517899185 944792092 /nfs/dbraw/zinc/79/20/92/944792092.db2.gz NTAZHEXHCBQUQX-LJQANCHMSA-N 2 1 358.530 3.667 20 0 FHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000467373654 944865843 /nfs/dbraw/zinc/86/58/43/944865843.db2.gz OOGCVEGEJFHBJK-LJQANCHMSA-N 2 1 355.457 3.784 20 0 FHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000439686980 944880262 /nfs/dbraw/zinc/88/02/62/944880262.db2.gz KLVGJBYMGMCVEE-QFIPXVFZSA-N 2 1 371.569 3.525 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511671689 944898344 /nfs/dbraw/zinc/89/83/44/944898344.db2.gz HNIHPAMGISACEW-GOSISDBHSA-N 2 1 371.569 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511671689 944898356 /nfs/dbraw/zinc/89/83/56/944898356.db2.gz HNIHPAMGISACEW-GOSISDBHSA-N 2 1 371.569 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511671689 944898365 /nfs/dbraw/zinc/89/83/65/944898365.db2.gz HNIHPAMGISACEW-GOSISDBHSA-N 2 1 371.569 3.911 20 0 FHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439842659 945023024 /nfs/dbraw/zinc/02/30/24/945023024.db2.gz OSYUOVOMYLMSKH-OAQYLSRUSA-N 2 1 355.526 3.670 20 0 FHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000439844815 945023757 /nfs/dbraw/zinc/02/37/57/945023757.db2.gz WJPYWYGSOKGQJB-TZIWHRDSSA-N 2 1 361.574 3.508 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[NH2+]1 ZINC000414952422 945024765 /nfs/dbraw/zinc/02/47/65/945024765.db2.gz QSELFSHZHVGEFZ-GXSJLCMTSA-N 2 1 367.209 3.578 20 0 FHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414953680 945038334 /nfs/dbraw/zinc/03/83/34/945038334.db2.gz JZTNXIPORPVWCB-IAQYHMDHSA-N 2 1 366.328 3.660 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC[NH2+]1 ZINC000414957231 945061369 /nfs/dbraw/zinc/06/13/69/945061369.db2.gz VXVVQBJHPMUOGG-SMDDNHRTSA-N 2 1 366.328 3.803 20 0 FHADMP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427469964 945400300 /nfs/dbraw/zinc/40/03/00/945400300.db2.gz OXCGDEFGMYOBCF-FPOVZHCZSA-N 2 1 371.569 3.525 20 0 FHADMP CCO[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420374 /nfs/dbraw/zinc/42/03/74/945420374.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420376 /nfs/dbraw/zinc/42/03/76/945420376.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420380 /nfs/dbraw/zinc/42/03/80/945420380.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 2 1 366.590 3.651 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000415012047 945485071 /nfs/dbraw/zinc/48/50/71/945485071.db2.gz WVXGEQKAZNTYSU-DOMZBBRYSA-N 2 1 373.419 3.784 20 0 FHADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000281513443 945673408 /nfs/dbraw/zinc/67/34/08/945673408.db2.gz XNXPVGLARHJFDA-HDICACEKSA-N 2 1 370.541 3.671 20 0 FHADMP c1sc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1-c1ccccn1 ZINC000415104198 945673611 /nfs/dbraw/zinc/67/36/11/945673611.db2.gz KUXXKKKWDSSHKU-MJGOQNOKSA-N 2 1 364.518 3.831 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(OCc2cccnc2)c1 ZINC000443986457 945690261 /nfs/dbraw/zinc/69/02/61/945690261.db2.gz HIDOHFJZZUDHNG-PMACEKPBSA-N 2 1 369.509 3.632 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443987277 945691698 /nfs/dbraw/zinc/69/16/98/945691698.db2.gz XFZNRSIKJOTFLW-HXUWFJFHSA-N 2 1 372.484 3.945 20 0 FHADMP Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2cc(F)ccc2[nH+]1 ZINC000301675978 945909057 /nfs/dbraw/zinc/90/90/57/945909057.db2.gz PTJUEDPFRMGNAJ-LJQANCHMSA-N 2 1 365.452 3.513 20 0 FHADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973102 945924083 /nfs/dbraw/zinc/92/40/83/945924083.db2.gz GPFFFEMMNCFNNE-XVLXNVKGSA-N 2 1 365.562 3.531 20 0 FHADMP CCCC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)CCC)cc2)CC1 ZINC000511888202 945955620 /nfs/dbraw/zinc/95/56/20/945955620.db2.gz YAXQWVKZJRRTBZ-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP CCc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301857538 946006593 /nfs/dbraw/zinc/00/65/93/946006593.db2.gz RWFBFFGBGHXBFR-YOFSQIOKSA-N 3 1 364.537 3.544 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000651884596 946150743 /nfs/dbraw/zinc/15/07/43/946150743.db2.gz LWFFRHNNBRVDAS-WNOPAQSVSA-N 2 1 364.533 3.506 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000651884596 946150751 /nfs/dbraw/zinc/15/07/51/946150751.db2.gz LWFFRHNNBRVDAS-WNOPAQSVSA-N 2 1 364.533 3.506 20 0 FHADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807174 946163528 /nfs/dbraw/zinc/16/35/28/946163528.db2.gz HVEVHRBWKLUSPG-UHFFFAOYSA-N 2 1 357.542 3.830 20 0 FHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000103187441 946231686 /nfs/dbraw/zinc/23/16/86/946231686.db2.gz DLBREGYRXQWXPF-OAQYLSRUSA-N 2 1 351.494 3.914 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000103187441 946231696 /nfs/dbraw/zinc/23/16/96/946231696.db2.gz DLBREGYRXQWXPF-OAQYLSRUSA-N 2 1 351.494 3.914 20 0 FHADMP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000103142989 946249781 /nfs/dbraw/zinc/24/97/81/946249781.db2.gz GEPJEELOGOFNEV-QGZVFWFLSA-N 2 1 370.493 3.971 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000520206115 946266414 /nfs/dbraw/zinc/26/64/14/946266414.db2.gz ZGXPIROYLMINEP-QFIPXVFZSA-N 2 1 363.505 3.901 20 0 FHADMP Clc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc2c1OCCO2 ZINC000520206730 946268253 /nfs/dbraw/zinc/26/82/53/946268253.db2.gz GAOJFERQSUTSIH-UHFFFAOYSA-N 2 1 372.896 3.649 20 0 FHADMP Clc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc2c1OCCO2 ZINC000520206730 946268260 /nfs/dbraw/zinc/26/82/60/946268260.db2.gz GAOJFERQSUTSIH-UHFFFAOYSA-N 2 1 372.896 3.649 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746608 946307384 /nfs/dbraw/zinc/30/73/84/946307384.db2.gz SIJASJQBESPWPL-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746608 946307392 /nfs/dbraw/zinc/30/73/92/946307392.db2.gz SIJASJQBESPWPL-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746608 946307401 /nfs/dbraw/zinc/30/74/01/946307401.db2.gz SIJASJQBESPWPL-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260825 946367739 /nfs/dbraw/zinc/36/77/39/946367739.db2.gz SXXGLRVABXCFCP-NXHRZFHOSA-N 2 1 373.324 3.556 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260825 946367750 /nfs/dbraw/zinc/36/77/50/946367750.db2.gz SXXGLRVABXCFCP-NXHRZFHOSA-N 2 1 373.324 3.556 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150297 946383134 /nfs/dbraw/zinc/38/31/34/946383134.db2.gz RLVXAVCMUOIYMH-QFIPXVFZSA-N 2 1 358.574 3.566 20 0 FHADMP COc1ccc([C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccccn2)cc1 ZINC000652148896 946385602 /nfs/dbraw/zinc/38/56/02/946385602.db2.gz KCAVJBFZDSKFIF-IIBYNOLFSA-N 2 1 350.466 3.610 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168067941 946428635 /nfs/dbraw/zinc/42/86/35/946428635.db2.gz VGLBHWPNHUVBSB-QWFCFKBJSA-N 2 1 358.526 3.703 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000893488456 946439398 /nfs/dbraw/zinc/43/93/98/946439398.db2.gz USLZHZHDCUPRQC-QGZVFWFLSA-N 2 1 364.411 3.620 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475494233 946441866 /nfs/dbraw/zinc/44/18/66/946441866.db2.gz IRRUTZCMHMFRMM-FGSXEWAUSA-N 2 1 369.553 3.550 20 0 FHADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047977293 946473175 /nfs/dbraw/zinc/47/31/75/946473175.db2.gz BWQQYGUPFHMWPM-UHFFFAOYSA-N 2 1 359.558 3.804 20 0 FHADMP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359573 946485218 /nfs/dbraw/zinc/48/52/18/946485218.db2.gz RRGXITAVODVJKX-YADHBBJMSA-N 2 1 371.569 3.552 20 0 FHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368094 946516895 /nfs/dbraw/zinc/51/68/95/946516895.db2.gz ASOZPVNIULCIIN-UXHICEINSA-N 2 1 362.558 3.530 20 0 FHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368094 946516901 /nfs/dbraw/zinc/51/69/01/946516901.db2.gz ASOZPVNIULCIIN-UXHICEINSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368094 946516904 /nfs/dbraw/zinc/51/69/04/946516904.db2.gz ASOZPVNIULCIIN-UXHICEINSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368094 946516909 /nfs/dbraw/zinc/51/69/09/946516909.db2.gz ASOZPVNIULCIIN-UXHICEINSA-N 2 1 362.558 3.530 20 0 FHADMP Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394364 946548773 /nfs/dbraw/zinc/54/87/73/946548773.db2.gz OPCCBLMJGDHMQE-IIBYNOLFSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394364 946548781 /nfs/dbraw/zinc/54/87/81/946548781.db2.gz OPCCBLMJGDHMQE-IIBYNOLFSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394364 946548787 /nfs/dbraw/zinc/54/87/87/946548787.db2.gz OPCCBLMJGDHMQE-IIBYNOLFSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394364 946548794 /nfs/dbraw/zinc/54/87/94/946548794.db2.gz OPCCBLMJGDHMQE-IIBYNOLFSA-N 2 1 355.457 3.929 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475514995 946552830 /nfs/dbraw/zinc/55/28/30/946552830.db2.gz WWLQRHJVZGEUMU-FGSXEWAUSA-N 2 1 369.553 3.550 20 0 FHADMP CCC[N@H+](Cc1cc(O)cc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000473142955 946593029 /nfs/dbraw/zinc/59/30/29/946593029.db2.gz SFMCQPUBOVQGLX-UHFFFAOYSA-N 2 1 372.488 3.819 20 0 FHADMP CCC[N@@H+](Cc1cc(O)cc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000473142955 946593042 /nfs/dbraw/zinc/59/30/42/946593042.db2.gz SFMCQPUBOVQGLX-UHFFFAOYSA-N 2 1 372.488 3.819 20 0 FHADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000475225878 946734957 /nfs/dbraw/zinc/73/49/57/946734957.db2.gz VLHLBQYDGVZYRD-TZIWHRDSSA-N 2 1 350.506 3.664 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281245 946816840 /nfs/dbraw/zinc/81/68/40/946816840.db2.gz CMMZPCZWJJAEFD-FUHWJXTLSA-N 2 1 369.475 3.991 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1)C1CC1 ZINC000112918903 946816834 /nfs/dbraw/zinc/81/68/34/946816834.db2.gz ZRBGCERKZPGKNU-UHFFFAOYSA-N 2 1 369.553 3.619 20 0 FHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(Cl)nc1 ZINC000179103244 946822247 /nfs/dbraw/zinc/82/22/47/946822247.db2.gz GIXFABHDWOUIOF-FXAWDEMLSA-N 2 1 372.944 3.764 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2nccc(OC)c2OC)CC1)CC(C)C ZINC000475321758 946857637 /nfs/dbraw/zinc/85/76/37/946857637.db2.gz XQHPFWDZIBNPBU-UHFFFAOYSA-N 2 1 363.546 3.679 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824619271 946868821 /nfs/dbraw/zinc/86/88/21/946868821.db2.gz WADSSIHVARDDAP-MRXNPFEDSA-N 2 1 364.497 3.558 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCSc3ccc(Cl)cc3)C2)C1 ZINC000652345560 946872413 /nfs/dbraw/zinc/87/24/13/946872413.db2.gz FJAXOLHUVPIPIJ-QGPMSJSTSA-N 2 1 354.947 3.650 20 0 FHADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994733 946889581 /nfs/dbraw/zinc/88/95/81/946889581.db2.gz MNFBHUWSAGCCGY-CZJMCEMMSA-N 2 1 372.553 3.844 20 0 FHADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994733 946889591 /nfs/dbraw/zinc/88/95/91/946889591.db2.gz MNFBHUWSAGCCGY-CZJMCEMMSA-N 2 1 372.553 3.844 20 0 FHADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994733 946889599 /nfs/dbraw/zinc/88/95/99/946889599.db2.gz MNFBHUWSAGCCGY-CZJMCEMMSA-N 2 1 372.553 3.844 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000123955807 946918418 /nfs/dbraw/zinc/91/84/18/946918418.db2.gz WYSZUTCLHRYNCS-HXUWFJFHSA-N 2 1 351.494 3.647 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360959 946928278 /nfs/dbraw/zinc/92/82/78/946928278.db2.gz VCLDWXKNUONHKV-BPQIPLTHSA-N 2 1 354.947 3.793 20 0 FHADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475356801 946938612 /nfs/dbraw/zinc/93/86/12/946938612.db2.gz WDBRGHJENRGHOK-OYRHEFFESA-N 2 1 366.505 3.576 20 0 FHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475356801 946938619 /nfs/dbraw/zinc/93/86/19/946938619.db2.gz WDBRGHJENRGHOK-OYRHEFFESA-N 2 1 366.505 3.576 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475356801 946938622 /nfs/dbraw/zinc/93/86/22/946938622.db2.gz WDBRGHJENRGHOK-OYRHEFFESA-N 2 1 366.505 3.576 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475356801 946938628 /nfs/dbraw/zinc/93/86/28/946938628.db2.gz WDBRGHJENRGHOK-OYRHEFFESA-N 2 1 366.505 3.576 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167995581 946966917 /nfs/dbraw/zinc/96/69/17/946966917.db2.gz JUXFNNZKFWWMOG-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP C[NH+](Cc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995581 946966922 /nfs/dbraw/zinc/96/69/22/946966922.db2.gz JUXFNNZKFWWMOG-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP C[NH+](Cc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995581 946966933 /nfs/dbraw/zinc/96/69/33/946966933.db2.gz JUXFNNZKFWWMOG-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP COc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995621 946970454 /nfs/dbraw/zinc/97/04/54/946970454.db2.gz LOIRBNKFFXSSHA-JGUMPVPUSA-N 2 1 370.537 3.944 20 0 FHADMP COc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995621 946970463 /nfs/dbraw/zinc/97/04/63/946970463.db2.gz LOIRBNKFFXSSHA-JGUMPVPUSA-N 2 1 370.537 3.944 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccsc4)cc3)C2)CC1 ZINC000444609036 947033525 /nfs/dbraw/zinc/03/35/25/947033525.db2.gz MOJDTTOCHGOHTD-OAQYLSRUSA-N 2 1 355.551 3.627 20 0 FHADMP Cc1noc([C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001168064607 947065866 /nfs/dbraw/zinc/06/58/66/947065866.db2.gz QRIFZMCXXRUBGW-GPMSIDNRSA-N 2 1 354.498 3.609 20 0 FHADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000192918753 947106126 /nfs/dbraw/zinc/10/61/26/947106126.db2.gz LPYODSNUQXVFNY-SIKLNZKXSA-N 2 1 350.506 3.664 20 0 FHADMP COC(=O)[C@]1(C)CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065468 947114093 /nfs/dbraw/zinc/11/40/93/947114093.db2.gz WOXWWGIFOVNMRP-NPPFBWRTSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065423 947127729 /nfs/dbraw/zinc/12/77/29/947127729.db2.gz VROWRKWIJLJBQG-GGPKGHCWSA-N 2 1 358.526 3.703 20 0 FHADMP C[C@@H]1CC([N@H+]2CC[C@H](Oc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065676 947181844 /nfs/dbraw/zinc/18/18/44/947181844.db2.gz XLCIHCBXVNBMTD-PWHSHALESA-N 2 1 365.521 3.976 20 0 FHADMP COCCCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246112149 947234511 /nfs/dbraw/zinc/23/45/11/947234511.db2.gz JUHUVTZMZWPAOA-UGKGYDQZSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246112149 947234519 /nfs/dbraw/zinc/23/45/19/947234519.db2.gz JUHUVTZMZWPAOA-UGKGYDQZSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246112149 947234529 /nfs/dbraw/zinc/23/45/29/947234529.db2.gz JUHUVTZMZWPAOA-UGKGYDQZSA-N 2 1 358.526 3.551 20 0 FHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCN(c2cc[nH+]cc2)CC1 ZINC000301315177 947279764 /nfs/dbraw/zinc/27/97/64/947279764.db2.gz LZOKGWMUZXULOP-UHFFFAOYSA-N 2 1 369.266 3.719 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1O ZINC000248517290 947292532 /nfs/dbraw/zinc/29/25/32/947292532.db2.gz PIBNFBCPFYFDSC-BEFAXECRSA-N 2 1 374.912 3.853 20 0 FHADMP COc1ccccc1-n1cnc2cc(NCc3ccc(N)[nH+]c3C)ccc21 ZINC001167787640 947305918 /nfs/dbraw/zinc/30/59/18/947305918.db2.gz FXTOBNJOFVKBMX-UHFFFAOYSA-N 2 1 359.433 3.932 20 0 FHADMP Brc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441444543 947447338 /nfs/dbraw/zinc/44/73/38/947447338.db2.gz DMTLWXLUCQNKKE-MRXNPFEDSA-N 2 1 367.331 3.636 20 0 FHADMP Brc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441444543 947447342 /nfs/dbraw/zinc/44/73/42/947447342.db2.gz DMTLWXLUCQNKKE-MRXNPFEDSA-N 2 1 367.331 3.636 20 0 FHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460361 947609094 /nfs/dbraw/zinc/60/90/94/947609094.db2.gz DCBGUDKYTLCXLY-TZIWHRDSSA-N 2 1 374.569 3.532 20 0 FHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460361 947609101 /nfs/dbraw/zinc/60/91/01/947609101.db2.gz DCBGUDKYTLCXLY-TZIWHRDSSA-N 2 1 374.569 3.532 20 0 FHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000523851489 947652065 /nfs/dbraw/zinc/65/20/65/947652065.db2.gz SRHYVYZVSYGNEQ-WMLDXEAASA-N 2 1 353.938 3.931 20 0 FHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663284029 947658562 /nfs/dbraw/zinc/65/85/62/947658562.db2.gz YAHKIJCEBYAQKV-UHFFFAOYSA-N 2 1 365.521 3.602 20 0 FHADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662249293 947671664 /nfs/dbraw/zinc/67/16/64/947671664.db2.gz SNJOFGKDZPRLRM-OAQYLSRUSA-N 2 1 352.478 3.687 20 0 FHADMP c1ccc(CCCO[C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662259290 947679798 /nfs/dbraw/zinc/67/97/98/947679798.db2.gz UNUWCBSRUQJIAG-QFIPXVFZSA-N 2 1 350.506 3.556 20 0 FHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265084 947683825 /nfs/dbraw/zinc/68/38/25/947683825.db2.gz WATJTVDBSVTNQF-SJLPKXTDSA-N 2 1 371.550 3.941 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290014 947710959 /nfs/dbraw/zinc/71/09/59/947710959.db2.gz DZPMWVCJLZYCOZ-IBGZPJMESA-N 2 1 357.542 3.769 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CCC[NH3+] ZINC000662315801 947744307 /nfs/dbraw/zinc/74/43/07/947744307.db2.gz VGOFBENKSRIMRR-WIYYLYMNSA-N 2 1 357.542 3.652 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CCO1 ZINC000662321369 947748768 /nfs/dbraw/zinc/74/87/68/947748768.db2.gz HNFAXYQELOTZGB-JOCHJYFZSA-N 2 1 356.510 3.651 20 0 FHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)o2)cc1 ZINC000128581181 947750618 /nfs/dbraw/zinc/75/06/18/947750618.db2.gz NSITVKFVBPFRRU-NRFANRHFSA-N 2 1 355.526 3.617 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662317058 947752213 /nfs/dbraw/zinc/75/22/13/947752213.db2.gz ZEFHBJVUELYFBQ-RHSMWYFYSA-N 2 1 362.905 3.772 20 0 FHADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344088 947807164 /nfs/dbraw/zinc/80/71/64/947807164.db2.gz NNDTWAXKVLADCZ-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344088 947807177 /nfs/dbraw/zinc/80/71/77/947807177.db2.gz NNDTWAXKVLADCZ-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344378 947811894 /nfs/dbraw/zinc/81/18/94/947811894.db2.gz SJQDFAWGJBZOLD-IBGZPJMESA-N 2 1 352.526 3.607 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347279 947818690 /nfs/dbraw/zinc/81/86/90/947818690.db2.gz ITJKURFIMAYXLI-IBGZPJMESA-N 2 1 370.516 3.840 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347279 947818704 /nfs/dbraw/zinc/81/87/04/947818704.db2.gz ITJKURFIMAYXLI-IBGZPJMESA-N 2 1 370.516 3.840 20 0 FHADMP Fc1cc(Br)ccc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347760 947819636 /nfs/dbraw/zinc/81/96/36/947819636.db2.gz USTQBYAPYQZYTG-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347760 947819640 /nfs/dbraw/zinc/81/96/40/947819640.db2.gz USTQBYAPYQZYTG-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347760 947819644 /nfs/dbraw/zinc/81/96/44/947819644.db2.gz USTQBYAPYQZYTG-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360430 947850048 /nfs/dbraw/zinc/85/00/48/947850048.db2.gz WNFTXPDZRXBIMX-LAUBAEHRSA-N 2 1 371.550 3.774 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662502346 947876227 /nfs/dbraw/zinc/87/62/27/947876227.db2.gz JYADZIBJNUQCQQ-BHDDXSALSA-N 2 1 371.569 3.511 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662524521 947888063 /nfs/dbraw/zinc/88/80/63/947888063.db2.gz XRSVNLBAGWLEGY-DYVFJYSZSA-N 2 1 374.356 3.881 20 0 FHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663463653 948049688 /nfs/dbraw/zinc/04/96/88/948049688.db2.gz ASZFHNBNVBCFEL-AOIWGVFYSA-N 2 1 360.542 3.907 20 0 FHADMP Fc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)c(F)c1 ZINC000663469967 948063987 /nfs/dbraw/zinc/06/39/87/948063987.db2.gz SEJRHKSFVLAGKN-QGZVFWFLSA-N 2 1 363.496 3.645 20 0 FHADMP Fc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)c(F)c1 ZINC000663469966 948064776 /nfs/dbraw/zinc/06/47/76/948064776.db2.gz SEJRHKSFVLAGKN-KRWDZBQOSA-N 2 1 363.496 3.645 20 0 FHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469840 948065263 /nfs/dbraw/zinc/06/52/63/948065263.db2.gz REACMSBMBVQBIB-PMACEKPBSA-N 2 1 360.542 3.737 20 0 FHADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472207 948068696 /nfs/dbraw/zinc/06/86/96/948068696.db2.gz ZOCRYXRLRONCIC-WIYYLYMNSA-N 2 1 352.526 3.704 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472207 948068698 /nfs/dbraw/zinc/06/86/98/948068698.db2.gz ZOCRYXRLRONCIC-WIYYLYMNSA-N 2 1 352.526 3.704 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472207 948068705 /nfs/dbraw/zinc/06/87/05/948068705.db2.gz ZOCRYXRLRONCIC-WIYYLYMNSA-N 2 1 352.526 3.704 20 0 FHADMP COC(=O)c1oc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000278922054 948126598 /nfs/dbraw/zinc/12/65/98/948126598.db2.gz RQISCMZPLOIJTM-OAHLLOKOSA-N 2 1 371.481 3.848 20 0 FHADMP COC(=O)c1oc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000278922051 948126738 /nfs/dbraw/zinc/12/67/38/948126738.db2.gz RQISCMZPLOIJTM-HNNXBMFYSA-N 2 1 371.481 3.848 20 0 FHADMP C[C@H](Cc1ccccc1Br)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512009636 948177152 /nfs/dbraw/zinc/17/71/52/948177152.db2.gz QGDVDRAKDVUNFI-GFCCVEGCSA-N 2 1 368.344 3.688 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)CCCO1 ZINC000432361412 948217320 /nfs/dbraw/zinc/21/73/20/948217320.db2.gz XXLLKPORBAYJBF-HXUWFJFHSA-N 2 1 368.521 3.856 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167833586 948229731 /nfs/dbraw/zinc/22/97/31/948229731.db2.gz CSMHGSFZTLFHJI-ROUUACIJSA-N 2 1 355.567 3.876 20 0 FHADMP CCc1nc(C[NH+]2CCC(CNc3[nH+]ccc4[nH]ccc43)CC2)cs1 ZINC000663587396 948256103 /nfs/dbraw/zinc/25/61/03/948256103.db2.gz NQNRBFDRYLVZHZ-UHFFFAOYSA-N 2 1 355.511 3.906 20 0 FHADMP c1ccc(CN2C[C@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273122 /nfs/dbraw/zinc/27/31/22/948273122.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273131 /nfs/dbraw/zinc/27/31/31/948273131.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@H]3CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273137 /nfs/dbraw/zinc/27/31/37/948273137.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273146 /nfs/dbraw/zinc/27/31/46/948273146.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273154 /nfs/dbraw/zinc/27/31/54/948273154.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273162 /nfs/dbraw/zinc/27/31/62/948273162.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273171 /nfs/dbraw/zinc/27/31/71/948273171.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000512044586 948289698 /nfs/dbraw/zinc/28/96/98/948289698.db2.gz GOXOXSCHTADNPB-OALUTQOASA-N 2 1 359.539 3.993 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001167836817 948307449 /nfs/dbraw/zinc/30/74/49/948307449.db2.gz HPXTUTHVFYEXKK-TYPHKJRUSA-N 2 1 359.558 3.621 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167840424 948336310 /nfs/dbraw/zinc/33/63/10/948336310.db2.gz GPGULTHIZIYKNL-ROUUACIJSA-N 2 1 355.567 3.828 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004198 948347879 /nfs/dbraw/zinc/34/78/79/948347879.db2.gz RPOYLZLFMTUTIJ-CYZFVCCVSA-N 2 1 367.581 3.988 20 0 FHADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004198 948347886 /nfs/dbraw/zinc/34/78/86/948347886.db2.gz RPOYLZLFMTUTIJ-CYZFVCCVSA-N 2 1 367.581 3.988 20 0 FHADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004198 948347894 /nfs/dbraw/zinc/34/78/94/948347894.db2.gz RPOYLZLFMTUTIJ-CYZFVCCVSA-N 2 1 367.581 3.988 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc12 ZINC000432406861 948349147 /nfs/dbraw/zinc/34/91/47/948349147.db2.gz JBSCLQVMRUYCME-QZTJIDSGSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc12 ZINC000432406861 948349157 /nfs/dbraw/zinc/34/91/57/948349157.db2.gz JBSCLQVMRUYCME-QZTJIDSGSA-N 2 1 356.510 4.000 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411354 948356829 /nfs/dbraw/zinc/35/68/29/948356829.db2.gz XMSRWMAQYLFQFV-MAUKXSAKSA-N 2 1 354.922 3.890 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411354 948356834 /nfs/dbraw/zinc/35/68/34/948356834.db2.gz XMSRWMAQYLFQFV-MAUKXSAKSA-N 2 1 354.922 3.890 20 0 FHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432408585 948356846 /nfs/dbraw/zinc/35/68/46/948356846.db2.gz CGFLTTZMBDMYEK-JKSUJKDBSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432408585 948356851 /nfs/dbraw/zinc/35/68/51/948356851.db2.gz CGFLTTZMBDMYEK-JKSUJKDBSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412106 948359967 /nfs/dbraw/zinc/35/99/67/948359967.db2.gz AGSYEOLVKZYVOU-OALUTQOASA-N 2 1 353.510 3.900 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412106 948359974 /nfs/dbraw/zinc/35/99/74/948359974.db2.gz AGSYEOLVKZYVOU-OALUTQOASA-N 2 1 353.510 3.900 20 0 FHADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432422151 948385099 /nfs/dbraw/zinc/38/50/99/948385099.db2.gz SCPALUASJOSDFJ-AZUAARDMSA-N 2 1 350.572 3.894 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842893 948397050 /nfs/dbraw/zinc/39/70/50/948397050.db2.gz ZOWWKFLRYFFTIZ-VGOFRKELSA-N 2 1 358.526 3.838 20 0 FHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)s1 ZINC000512117102 948459536 /nfs/dbraw/zinc/45/95/36/948459536.db2.gz YUEDCRHIUOZLSB-UHFFFAOYSA-N 2 1 357.445 3.946 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000520662529 948527174 /nfs/dbraw/zinc/52/71/74/948527174.db2.gz OLGRVYNPMZWWJW-UHFFFAOYSA-N 2 1 366.465 3.674 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000520662529 948527175 /nfs/dbraw/zinc/52/71/75/948527175.db2.gz OLGRVYNPMZWWJW-UHFFFAOYSA-N 2 1 366.465 3.674 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507797163 948580400 /nfs/dbraw/zinc/58/04/00/948580400.db2.gz RBSOKMFPNOLAPK-LVCYWYKZSA-N 2 1 372.532 3.996 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507797163 948580406 /nfs/dbraw/zinc/58/04/06/948580406.db2.gz RBSOKMFPNOLAPK-LVCYWYKZSA-N 2 1 372.532 3.996 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507797165 948580791 /nfs/dbraw/zinc/58/07/91/948580791.db2.gz RBSOKMFPNOLAPK-UEXGIBASSA-N 2 1 372.532 3.996 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507797165 948580795 /nfs/dbraw/zinc/58/07/95/948580795.db2.gz RBSOKMFPNOLAPK-UEXGIBASSA-N 2 1 372.532 3.996 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000512180347 948696948 /nfs/dbraw/zinc/69/69/48/948696948.db2.gz NYECOMKTVMTBAK-GJZGRUSLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000512182557 948706512 /nfs/dbraw/zinc/70/65/12/948706512.db2.gz DKNWBSRQYBOKLB-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000512182557 948706517 /nfs/dbraw/zinc/70/65/17/948706517.db2.gz DKNWBSRQYBOKLB-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]12 ZINC000536475340 948713574 /nfs/dbraw/zinc/71/35/74/948713574.db2.gz FRCNFIHYPSIYRA-HSROGRKHSA-N 2 1 374.573 3.766 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]12 ZINC000536475340 948713577 /nfs/dbraw/zinc/71/35/77/948713577.db2.gz FRCNFIHYPSIYRA-HSROGRKHSA-N 2 1 374.573 3.766 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](OCC2CC2)C1)C1CC[NH+](C)CC1 ZINC000428402885 948812966 /nfs/dbraw/zinc/81/29/66/948812966.db2.gz PNPQABJUGBGJSC-QFIPXVFZSA-N 2 1 371.569 3.608 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)cs1 ZINC000161751421 567965818 /nfs/dbraw/zinc/96/58/18/567965818.db2.gz INDDQXVANMKGTK-QGZVFWFLSA-N 2 1 351.560 3.599 20 0 FHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000521436013 568016506 /nfs/dbraw/zinc/01/65/06/568016506.db2.gz JKZYFCJEJKFROK-GASCZTMLSA-N 2 1 364.415 3.527 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000604418123 568276141 /nfs/dbraw/zinc/27/61/41/568276141.db2.gz HVYGZBDZZBGYSD-MAUKXSAKSA-N 2 1 374.447 3.812 20 0 FHADMP C[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000604885433 568380764 /nfs/dbraw/zinc/38/07/64/568380764.db2.gz PCGGLEHPGXSMEV-OAQYLSRUSA-N 2 1 351.538 3.540 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268260 599319316 /nfs/dbraw/zinc/31/93/16/599319316.db2.gz RSNXEZLBQICJBR-KURKYZTESA-N 2 1 368.529 3.514 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736268260 599319319 /nfs/dbraw/zinc/31/93/19/599319319.db2.gz RSNXEZLBQICJBR-KURKYZTESA-N 2 1 368.529 3.514 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736268260 599319322 /nfs/dbraw/zinc/31/93/22/599319322.db2.gz RSNXEZLBQICJBR-KURKYZTESA-N 2 1 368.529 3.514 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822477084 607087088 /nfs/dbraw/zinc/08/70/88/607087088.db2.gz FXEGQNNWGPZXSM-GJZGRUSLSA-N 2 1 373.464 3.773 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1 ZINC001164427875 718946398 /nfs/dbraw/zinc/94/63/98/718946398.db2.gz GXPVUNIRZDJRHY-FDFHNCONSA-N 2 1 362.521 3.704 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3c(Cl)cccc32)c2c1CC[NH2+]C2 ZINC001164683287 719618411 /nfs/dbraw/zinc/61/84/11/719618411.db2.gz RVFPBOIUGMYSKX-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3c(Cl)cccc32)c2c1CC[NH2+]C2 ZINC001164683287 719618413 /nfs/dbraw/zinc/61/84/13/719618413.db2.gz RVFPBOIUGMYSKX-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(N(C)C)[nH+]2)CC3)cs1 ZINC001164694397 719804868 /nfs/dbraw/zinc/80/48/68/719804868.db2.gz XWHAJGDRHSLXJE-UHFFFAOYSA-N 2 1 371.554 3.548 20 0 FHADMP Cc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C)c1 ZINC001164792506 721495458 /nfs/dbraw/zinc/49/54/58/721495458.db2.gz PWVUGYSFQJPRKN-UHFFFAOYSA-N 2 1 350.510 3.974 20 0 FHADMP Cc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C)c1 ZINC001164792506 721495461 /nfs/dbraw/zinc/49/54/61/721495461.db2.gz PWVUGYSFQJPRKN-UHFFFAOYSA-N 2 1 350.510 3.974 20 0 FHADMP CCc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(C)[nH+]1 ZINC001164795105 721501032 /nfs/dbraw/zinc/50/10/32/721501032.db2.gz DFFQCNWMHCLGAH-UHFFFAOYSA-N 2 1 365.525 3.623 20 0 FHADMP CCc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(C)[nH+]1 ZINC001164795105 721501034 /nfs/dbraw/zinc/50/10/34/721501034.db2.gz DFFQCNWMHCLGAH-UHFFFAOYSA-N 2 1 365.525 3.623 20 0 FHADMP Cc1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164902203 721582705 /nfs/dbraw/zinc/58/27/05/721582705.db2.gz CUMVCFZWWXENGY-LJQANCHMSA-N 2 1 358.436 3.523 20 0 FHADMP Cc1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164902203 721582708 /nfs/dbraw/zinc/58/27/08/721582708.db2.gz CUMVCFZWWXENGY-LJQANCHMSA-N 2 1 358.436 3.523 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]21 ZINC001165027182 721803281 /nfs/dbraw/zinc/80/32/81/721803281.db2.gz UDDKZBSJGHKPAS-HFSMHLIXSA-N 2 1 361.493 3.695 20 0 FHADMP Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165026843 721808841 /nfs/dbraw/zinc/80/88/41/721808841.db2.gz RQZOYQCMMCIORR-TYPHKJRUSA-N 2 1 350.510 3.830 20 0 FHADMP CC[NH+](CC)C1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001165054069 722003620 /nfs/dbraw/zinc/00/36/20/722003620.db2.gz YKOFBFPAWHHLLH-UHFFFAOYSA-N 2 1 350.938 3.641 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCSc4ccccc43)CC2)nc(C)[nH+]1 ZINC000162246182 936363227 /nfs/dbraw/zinc/36/32/27/936363227.db2.gz RUJADGROFIUXDN-GOSISDBHSA-N 2 1 354.523 3.889 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000579700912 927133577 /nfs/dbraw/zinc/13/35/77/927133577.db2.gz QDTYJKWYPLVMCZ-QFIPXVFZSA-N 2 1 366.509 3.630 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000317149785 927160432 /nfs/dbraw/zinc/16/04/32/927160432.db2.gz GBHVWEZEDGGBEL-UXLLHSPISA-N 2 1 365.315 3.879 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317149785 927160437 /nfs/dbraw/zinc/16/04/37/927160437.db2.gz GBHVWEZEDGGBEL-UXLLHSPISA-N 2 1 365.315 3.879 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546291 927426261 /nfs/dbraw/zinc/42/62/61/927426261.db2.gz LYRKJXQDZQTRGA-GOEBONIOSA-N 2 1 365.315 3.927 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](CSC)C2)CC1 ZINC000430199852 927940663 /nfs/dbraw/zinc/94/06/63/927940663.db2.gz VIYDUFXISXSYGJ-IBGZPJMESA-N 2 1 361.599 3.794 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606063 928232429 /nfs/dbraw/zinc/23/24/29/928232429.db2.gz DOJPFIIXPABUIJ-NQIIRXRSSA-N 2 1 365.562 3.584 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606063 928232440 /nfs/dbraw/zinc/23/24/40/928232440.db2.gz DOJPFIIXPABUIJ-NQIIRXRSSA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606063 928232446 /nfs/dbraw/zinc/23/24/46/928232446.db2.gz DOJPFIIXPABUIJ-NQIIRXRSSA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606063 928232456 /nfs/dbraw/zinc/23/24/56/928232456.db2.gz DOJPFIIXPABUIJ-NQIIRXRSSA-N 2 1 365.562 3.584 20 0 FHADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000650131236 928291403 /nfs/dbraw/zinc/29/14/03/928291403.db2.gz AUHOHYTXCDLZIX-QGZVFWFLSA-N 2 1 366.571 3.785 20 0 FHADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000650131236 928291418 /nfs/dbraw/zinc/29/14/18/928291418.db2.gz AUHOHYTXCDLZIX-QGZVFWFLSA-N 2 1 366.571 3.785 20 0 FHADMP CC(C)O[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000579833288 928318416 /nfs/dbraw/zinc/31/84/16/928318416.db2.gz RXIONMAWQFJGNX-FGZHOGPDSA-N 2 1 360.542 3.685 20 0 FHADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000583218322 937246203 /nfs/dbraw/zinc/24/62/03/937246203.db2.gz UXQPPQOINOJHIK-CEXWTWQISA-N 2 1 373.447 3.683 20 0 FHADMP COc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162745461 937271633 /nfs/dbraw/zinc/27/16/33/937271633.db2.gz ZKBHNSPAECADEA-MRXNPFEDSA-N 2 1 357.498 3.863 20 0 FHADMP C[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131292 928920260 /nfs/dbraw/zinc/92/02/60/928920260.db2.gz QTRBPGKSMKEAJP-URVUXULASA-N 2 1 371.569 3.668 20 0 FHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)N3CCc4ccccc4C3)c2C1 ZINC000134781617 929239041 /nfs/dbraw/zinc/23/90/41/929239041.db2.gz PQSZMWHKYWQBGX-KRWDZBQOSA-N 2 1 363.505 3.798 20 0 FHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)N3CCc4ccccc4C3)c2C1 ZINC000134781617 929239044 /nfs/dbraw/zinc/23/90/44/929239044.db2.gz PQSZMWHKYWQBGX-KRWDZBQOSA-N 2 1 363.505 3.798 20 0 FHADMP CCCC[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180161162 929409310 /nfs/dbraw/zinc/40/93/10/929409310.db2.gz WDPKJTLROVEZPW-AKIFATBCSA-N 2 1 355.570 3.751 20 0 FHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180161162 929409325 /nfs/dbraw/zinc/40/93/25/929409325.db2.gz WDPKJTLROVEZPW-AKIFATBCSA-N 3 1 355.570 3.751 20 0 FHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180161162 929409332 /nfs/dbraw/zinc/40/93/32/929409332.db2.gz WDPKJTLROVEZPW-AKIFATBCSA-N 3 1 355.570 3.751 20 0 FHADMP c1ccc(C([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000180576027 929574544 /nfs/dbraw/zinc/57/45/44/929574544.db2.gz GWBWHZZLNBCMAY-IBGZPJMESA-N 2 1 350.506 3.867 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000079992524 929591618 /nfs/dbraw/zinc/59/16/18/929591618.db2.gz CXJPIRPZITVWNE-CBNMVNINSA-N 2 1 357.542 3.593 20 0 FHADMP Fc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1-c1cccs1 ZINC000657751562 937343741 /nfs/dbraw/zinc/34/37/41/937343741.db2.gz SANKIYTUKRWNMM-KRWDZBQOSA-N 2 1 360.498 3.897 20 0 FHADMP Fc1cccc(Oc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000657750822 937347472 /nfs/dbraw/zinc/34/74/72/937347472.db2.gz DIYATCIBGWGKCJ-HXUWFJFHSA-N 2 1 370.468 3.961 20 0 FHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070170472 929649675 /nfs/dbraw/zinc/64/96/75/929649675.db2.gz JCGMNEAGNYQWQZ-LBPRGKRZSA-N 2 1 361.711 3.542 20 0 FHADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691276 929808068 /nfs/dbraw/zinc/80/80/68/929808068.db2.gz AVVHAMQWQTYUCV-CIAFKFPVSA-N 2 1 366.553 3.945 20 0 FHADMP C[N@H+]1Cc2ccccc2[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692372 929811008 /nfs/dbraw/zinc/81/10/08/929811008.db2.gz PPWDIUCHOHHUDO-PIATZUFCSA-N 2 1 361.533 3.958 20 0 FHADMP C[N@@H+]1Cc2ccccc2[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692372 929811011 /nfs/dbraw/zinc/81/10/11/929811011.db2.gz PPWDIUCHOHHUDO-PIATZUFCSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692372 929811022 /nfs/dbraw/zinc/81/10/22/929811022.db2.gz PPWDIUCHOHHUDO-PIATZUFCSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692372 929811025 /nfs/dbraw/zinc/81/10/25/929811025.db2.gz PPWDIUCHOHHUDO-PIATZUFCSA-N 2 1 361.533 3.958 20 0 FHADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000580022827 929914173 /nfs/dbraw/zinc/91/41/73/929914173.db2.gz UQHXONVIAVSUOA-AWEZNQCLSA-N 2 1 374.326 3.932 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608080 929939213 /nfs/dbraw/zinc/93/92/13/929939213.db2.gz ZFALOEFGVDQNMX-KNQAVFIVSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608080 929939215 /nfs/dbraw/zinc/93/92/15/929939215.db2.gz ZFALOEFGVDQNMX-KNQAVFIVSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)C1 ZINC000580104763 930248110 /nfs/dbraw/zinc/24/81/10/930248110.db2.gz CZZJUFWWEKTBMS-PBHICJAKSA-N 2 1 353.457 3.816 20 0 FHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)C1 ZINC000580104764 930248237 /nfs/dbraw/zinc/24/82/37/930248237.db2.gz CZZJUFWWEKTBMS-RHSMWYFYSA-N 2 1 353.457 3.816 20 0 FHADMP Cc1cc([NH+]2CCCCC2)ccc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167378552 930488956 /nfs/dbraw/zinc/48/89/56/930488956.db2.gz WEYPPNRXEFUYIS-UHFFFAOYSA-N 2 1 365.521 3.720 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379649128 930496103 /nfs/dbraw/zinc/49/61/03/930496103.db2.gz NZMFEPOSQHINBO-VWEINGBSSA-N 2 1 358.526 3.751 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379649128 930496109 /nfs/dbraw/zinc/49/61/09/930496109.db2.gz NZMFEPOSQHINBO-VWEINGBSSA-N 2 1 358.526 3.751 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000397980426 930511469 /nfs/dbraw/zinc/51/14/69/930511469.db2.gz LZSFHURKTQBRGW-GHOZHQTGSA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000397980426 930511475 /nfs/dbraw/zinc/51/14/75/930511475.db2.gz LZSFHURKTQBRGW-GHOZHQTGSA-N 2 1 358.526 3.609 20 0 FHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000125540247 930652115 /nfs/dbraw/zinc/65/21/15/930652115.db2.gz BGLXCYBOQRBMIQ-KRWDZBQOSA-N 2 1 366.534 3.984 20 0 FHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000125540247 930652119 /nfs/dbraw/zinc/65/21/19/930652119.db2.gz BGLXCYBOQRBMIQ-KRWDZBQOSA-N 2 1 366.534 3.984 20 0 FHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000125540511 930652356 /nfs/dbraw/zinc/65/23/56/930652356.db2.gz BGLXCYBOQRBMIQ-QGZVFWFLSA-N 2 1 366.534 3.984 20 0 FHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000125540511 930652360 /nfs/dbraw/zinc/65/23/60/930652360.db2.gz BGLXCYBOQRBMIQ-QGZVFWFLSA-N 2 1 366.534 3.984 20 0 FHADMP C[C@@H]1C[C@@H](NCc2ccc([S@](C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000119109472 930681799 /nfs/dbraw/zinc/68/17/99/930681799.db2.gz UQMYKOPMLQLFOP-HUJREVKFSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@@H](NCc2ccc([S@](C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000119109472 930681803 /nfs/dbraw/zinc/68/18/03/930681803.db2.gz UQMYKOPMLQLFOP-HUJREVKFSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000119109472 930681806 /nfs/dbraw/zinc/68/18/06/930681806.db2.gz UQMYKOPMLQLFOP-HUJREVKFSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000119109472 930681810 /nfs/dbraw/zinc/68/18/10/930681810.db2.gz UQMYKOPMLQLFOP-HUJREVKFSA-N 2 1 356.535 3.567 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756729 930742371 /nfs/dbraw/zinc/74/23/71/930742371.db2.gz CYSADOCVQUWWKR-CJNGLKHVSA-N 2 1 355.320 3.620 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756729 930742379 /nfs/dbraw/zinc/74/23/79/930742379.db2.gz CYSADOCVQUWWKR-CJNGLKHVSA-N 2 1 355.320 3.620 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756729 930742394 /nfs/dbraw/zinc/74/23/94/930742394.db2.gz CYSADOCVQUWWKR-CJNGLKHVSA-N 2 1 355.320 3.620 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000580768820 931123478 /nfs/dbraw/zinc/12/34/78/931123478.db2.gz HKYMFRZDIPNQFZ-INIZCTEOSA-N 2 1 351.922 3.770 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCc2ccncc2)cc1 ZINC000656403640 931592246 /nfs/dbraw/zinc/59/22/46/931592246.db2.gz BUAXKVMBZUCQNZ-XQUALCHDSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCc2ccncc2)cc1 ZINC000656403640 931592252 /nfs/dbraw/zinc/59/22/52/931592252.db2.gz BUAXKVMBZUCQNZ-XQUALCHDSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCc2ccncc2)cc1 ZINC000656403640 931592256 /nfs/dbraw/zinc/59/22/56/931592256.db2.gz BUAXKVMBZUCQNZ-XQUALCHDSA-N 2 1 361.533 3.857 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398355228 931611091 /nfs/dbraw/zinc/61/10/91/931611091.db2.gz KXNFQDWLOGAHTM-AIZKBTNYSA-N 2 1 350.506 3.736 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398355228 931611096 /nfs/dbraw/zinc/61/10/96/931611096.db2.gz KXNFQDWLOGAHTM-AIZKBTNYSA-N 2 1 350.506 3.736 20 0 FHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(Br)c1 ZINC000581158816 931629212 /nfs/dbraw/zinc/62/92/12/931629212.db2.gz IDCRJWPUSGKTHW-UHFFFAOYSA-N 2 1 355.320 3.766 20 0 FHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(Br)c1 ZINC000581158816 931629215 /nfs/dbraw/zinc/62/92/15/931629215.db2.gz IDCRJWPUSGKTHW-UHFFFAOYSA-N 2 1 355.320 3.766 20 0 FHADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC000089728038 931659537 /nfs/dbraw/zinc/65/95/37/931659537.db2.gz QVCITSDBXPLZPO-PXNSSMCTSA-N 2 1 354.494 3.586 20 0 FHADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC000089728038 931659542 /nfs/dbraw/zinc/65/95/42/931659542.db2.gz QVCITSDBXPLZPO-PXNSSMCTSA-N 2 1 354.494 3.586 20 0 FHADMP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548155924 931692657 /nfs/dbraw/zinc/69/26/57/931692657.db2.gz JWKKYRVWVHBIEF-NQIIRXRSSA-N 2 1 353.510 3.869 20 0 FHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456332 931763112 /nfs/dbraw/zinc/76/31/12/931763112.db2.gz ZCEMMALVIVIGSJ-JTHBVZDNSA-N 2 1 373.504 3.502 20 0 FHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656456332 931763120 /nfs/dbraw/zinc/76/31/20/931763120.db2.gz ZCEMMALVIVIGSJ-JTHBVZDNSA-N 2 1 373.504 3.502 20 0 FHADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581280379 931778394 /nfs/dbraw/zinc/77/83/94/931778394.db2.gz AJZOGRZJZHVFLW-SFTDATJTSA-N 2 1 372.553 3.952 20 0 FHADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581280378 931778748 /nfs/dbraw/zinc/77/87/48/931778748.db2.gz AJZOGRZJZHVFLW-RTWAWAEBSA-N 2 1 372.553 3.952 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+]2CCC2)o1 ZINC000581321016 931830009 /nfs/dbraw/zinc/83/00/09/931830009.db2.gz VDHXIUHHJGRCIY-UHFFFAOYSA-N 2 1 350.466 3.626 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574416 931920337 /nfs/dbraw/zinc/92/03/37/931920337.db2.gz SMYLCXQPKWXCLS-RFGFWPKPSA-N 2 1 372.340 3.618 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574416 931920340 /nfs/dbraw/zinc/92/03/40/931920340.db2.gz SMYLCXQPKWXCLS-RFGFWPKPSA-N 2 1 372.340 3.618 20 0 FHADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583048 931950637 /nfs/dbraw/zinc/95/06/37/931950637.db2.gz RIVFJVJADNTMHP-UGKGYDQZSA-N 2 1 359.558 3.611 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cn(C)nc1C(F)F ZINC000276277157 932141950 /nfs/dbraw/zinc/14/19/50/932141950.db2.gz SUBKQJHBXAZVOE-HUUCEWRRSA-N 2 1 362.468 3.604 20 0 FHADMP CN(CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000581545342 932234875 /nfs/dbraw/zinc/23/48/75/932234875.db2.gz JQYBPNKSLUUVEQ-UHFFFAOYSA-N 2 1 352.526 3.925 20 0 FHADMP CC(C)OCC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090188285 932285012 /nfs/dbraw/zinc/28/50/12/932285012.db2.gz JIIPTGOBPIISMW-JOCHJYFZSA-N 2 1 373.585 3.519 20 0 FHADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000430621441 932356832 /nfs/dbraw/zinc/35/68/32/932356832.db2.gz JTNPTPYDPFWNHL-UHFFFAOYSA-N 2 1 373.884 3.742 20 0 FHADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783794 932419997 /nfs/dbraw/zinc/41/99/97/932419997.db2.gz UKZMBSQTRJZUOW-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP FC(F)(F)COCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647170768 932421282 /nfs/dbraw/zinc/42/12/82/932421282.db2.gz NZNKYHHSVDEEJA-KRWDZBQOSA-N 2 1 356.432 3.742 20 0 FHADMP FC(F)(F)COCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647170768 932421288 /nfs/dbraw/zinc/42/12/88/932421288.db2.gz NZNKYHHSVDEEJA-KRWDZBQOSA-N 2 1 356.432 3.742 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000656792324 932424983 /nfs/dbraw/zinc/42/49/83/932424983.db2.gz KAYYRQKCIRFZNQ-QFIPXVFZSA-N 2 1 367.537 3.918 20 0 FHADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000684394289 932528407 /nfs/dbraw/zinc/52/84/07/932528407.db2.gz GWPLRPWCSOTRBH-CEMLEFRQSA-N 2 1 352.526 3.854 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000581713887 932546105 /nfs/dbraw/zinc/54/61/05/932546105.db2.gz ZHYZYEGXILNPHL-LRDDRELGSA-N 2 1 357.420 3.530 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000581740559 932583345 /nfs/dbraw/zinc/58/33/45/932583345.db2.gz DFRZITCXJSNUQM-JHBZICRXSA-N 2 1 350.506 3.736 20 0 FHADMP CCO[C@@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000155715419 932606147 /nfs/dbraw/zinc/60/61/47/932606147.db2.gz QBRFUHFESSWKPT-NRFANRHFSA-N 2 1 350.522 3.873 20 0 FHADMP CCc1nc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cs1 ZINC000157092737 932881900 /nfs/dbraw/zinc/88/19/00/932881900.db2.gz VRCJDZRFIITTJZ-UHFFFAOYSA-N 2 1 361.530 3.684 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000157761183 933028468 /nfs/dbraw/zinc/02/84/68/933028468.db2.gz QBNBQYYRKPDULU-PKTZIBPZSA-N 2 1 368.496 3.952 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nccs1 ZINC000090971292 933109305 /nfs/dbraw/zinc/10/93/05/933109305.db2.gz LGMJCXJOOQXFBU-INIZCTEOSA-N 2 1 356.539 3.526 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000430721005 933170993 /nfs/dbraw/zinc/17/09/93/933170993.db2.gz APADZUOTYUNFIB-ZHHKINOHSA-N 2 1 371.569 3.796 20 0 FHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000430796991 933244601 /nfs/dbraw/zinc/24/46/01/933244601.db2.gz BYHUSSUJCWFHIZ-DEPWHIHDSA-N 2 1 373.541 3.532 20 0 FHADMP C[N@@H+](CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000548388886 933288674 /nfs/dbraw/zinc/28/86/74/933288674.db2.gz OSDFVNDALNQYHH-HXUWFJFHSA-N 2 1 363.590 3.756 20 0 FHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430948499 933473737 /nfs/dbraw/zinc/47/37/37/933473737.db2.gz JQIOLXCYCXVQDA-FRRDWIJNSA-N 2 1 374.554 3.642 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796542 933735403 /nfs/dbraw/zinc/73/54/03/933735403.db2.gz JIZINIFDLYLPLX-ROUUACIJSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796542 933735408 /nfs/dbraw/zinc/73/54/08/933735408.db2.gz JIZINIFDLYLPLX-ROUUACIJSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796542 933735417 /nfs/dbraw/zinc/73/54/17/933735417.db2.gz JIZINIFDLYLPLX-ROUUACIJSA-N 2 1 357.542 3.521 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431055399 933745619 /nfs/dbraw/zinc/74/56/19/933745619.db2.gz HUPHJPJUCUGVBL-NRFANRHFSA-N 2 1 367.493 3.710 20 0 FHADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000431075951 933803880 /nfs/dbraw/zinc/80/38/80/933803880.db2.gz IBDPUNGFJBHBTL-CVEARBPZSA-N 2 1 364.534 3.603 20 0 FHADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000431075951 933803887 /nfs/dbraw/zinc/80/38/87/933803887.db2.gz IBDPUNGFJBHBTL-CVEARBPZSA-N 2 1 364.534 3.603 20 0 FHADMP CCC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431095244 933834835 /nfs/dbraw/zinc/83/48/35/933834835.db2.gz UJZBWVFDEYEADU-CYBMUJFWSA-N 2 1 372.340 3.635 20 0 FHADMP CCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431095244 933834836 /nfs/dbraw/zinc/83/48/36/933834836.db2.gz UJZBWVFDEYEADU-CYBMUJFWSA-N 2 1 372.340 3.635 20 0 FHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638589 934160635 /nfs/dbraw/zinc/16/06/35/934160635.db2.gz GMLOGUCWRIWMIA-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638589 934160636 /nfs/dbraw/zinc/16/06/36/934160636.db2.gz GMLOGUCWRIWMIA-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638589 934160641 /nfs/dbraw/zinc/16/06/41/934160641.db2.gz GMLOGUCWRIWMIA-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc(Cl)c1OC ZINC000093638589 934160644 /nfs/dbraw/zinc/16/06/44/934160644.db2.gz GMLOGUCWRIWMIA-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000548490255 934197623 /nfs/dbraw/zinc/19/76/23/934197623.db2.gz LLQVIKXAZUQSHV-CABCVRRESA-N 2 1 363.493 3.747 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000510948770 934220893 /nfs/dbraw/zinc/22/08/93/934220893.db2.gz IYJJHQKWROWWAH-LPHOPBHVSA-N 2 1 374.475 3.642 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000510948767 934221007 /nfs/dbraw/zinc/22/10/07/934221007.db2.gz IYJJHQKWROWWAH-APWZRJJASA-N 2 1 374.475 3.642 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808837 934416487 /nfs/dbraw/zinc/41/64/87/934416487.db2.gz ZFLYQJIFAVJHSB-DJIMGWMZSA-N 2 1 363.552 3.555 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808837 934416489 /nfs/dbraw/zinc/41/64/89/934416489.db2.gz ZFLYQJIFAVJHSB-DJIMGWMZSA-N 2 1 363.552 3.555 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808840 934416495 /nfs/dbraw/zinc/41/64/95/934416495.db2.gz ZFLYQJIFAVJHSB-PVAVHDDUSA-N 2 1 363.552 3.555 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808840 934416501 /nfs/dbraw/zinc/41/65/01/934416501.db2.gz ZFLYQJIFAVJHSB-PVAVHDDUSA-N 2 1 363.552 3.555 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236727231 934768590 /nfs/dbraw/zinc/76/85/90/934768590.db2.gz AFRCQTQXQOIBEA-NRFANRHFSA-N 2 1 353.510 3.625 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccsc2S1 ZINC000537958626 934823595 /nfs/dbraw/zinc/82/35/95/934823595.db2.gz BLVFTULDRLUOTG-STECZYCISA-N 2 1 352.569 3.641 20 0 FHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510999788 934842212 /nfs/dbraw/zinc/84/22/12/934842212.db2.gz NZQDWSGOWHNFPZ-UYAOXDASSA-N 2 1 359.558 3.524 20 0 FHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510999788 934842216 /nfs/dbraw/zinc/84/22/16/934842216.db2.gz NZQDWSGOWHNFPZ-UYAOXDASSA-N 2 1 359.558 3.524 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010234 934877472 /nfs/dbraw/zinc/87/74/72/934877472.db2.gz ISONCKJRHYYVLX-GHTZIAJQSA-N 2 1 367.537 3.912 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010234 934877477 /nfs/dbraw/zinc/87/74/77/934877477.db2.gz ISONCKJRHYYVLX-GHTZIAJQSA-N 2 1 367.537 3.912 20 0 FHADMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000102781544 934892461 /nfs/dbraw/zinc/89/24/61/934892461.db2.gz DUVKJHOMAWUKHR-UHFFFAOYSA-N 2 1 368.521 3.774 20 0 FHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000439909351 945071464 /nfs/dbraw/zinc/07/14/64/945071464.db2.gz FNOPMGMFXJZGLK-FPOVZHCZSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909351 945071475 /nfs/dbraw/zinc/07/14/75/945071475.db2.gz FNOPMGMFXJZGLK-FPOVZHCZSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909351 945071485 /nfs/dbraw/zinc/07/14/85/945071485.db2.gz FNOPMGMFXJZGLK-FPOVZHCZSA-N 2 1 372.557 3.703 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657312147 935100771 /nfs/dbraw/zinc/10/07/71/935100771.db2.gz DNIYECRHHCNNPW-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000431331164 935103995 /nfs/dbraw/zinc/10/39/95/935103995.db2.gz ZMTNAUMCQRNJHU-JOCHJYFZSA-N 2 1 373.585 3.887 20 0 FHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000582026359 935142777 /nfs/dbraw/zinc/14/27/77/935142777.db2.gz DFUQTXLHXHBHKJ-AWEZNQCLSA-N 2 1 363.889 3.535 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000582050973 935177190 /nfs/dbraw/zinc/17/71/90/935177190.db2.gz SOCCRGYWWJMISX-VQIMIIECSA-N 2 1 372.538 3.672 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC000657338152 935264967 /nfs/dbraw/zinc/26/49/67/935264967.db2.gz SAERZNFOEBUGIG-UHFFFAOYSA-N 2 1 357.404 3.839 20 0 FHADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC000657354728 935334535 /nfs/dbraw/zinc/33/45/35/935334535.db2.gz WMCSUZBDDXPVHU-UHFFFAOYSA-N 2 1 352.400 3.724 20 0 FHADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000657373842 935448631 /nfs/dbraw/zinc/44/86/31/935448631.db2.gz ADCYRXWRNFYOAF-UHFFFAOYSA-N 2 1 352.482 3.808 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374420 935455877 /nfs/dbraw/zinc/45/58/77/935455877.db2.gz KOSRHNDYXLRTMB-LRDDRELGSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374420 935455880 /nfs/dbraw/zinc/45/58/80/935455880.db2.gz KOSRHNDYXLRTMB-LRDDRELGSA-N 2 1 372.460 3.673 20 0 FHADMP O[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300969 935500034 /nfs/dbraw/zinc/50/00/34/935500034.db2.gz MOMWHOWIXBZIGV-VXKWHMMOSA-N 2 1 368.496 3.516 20 0 FHADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300969 935500036 /nfs/dbraw/zinc/50/00/36/935500036.db2.gz MOMWHOWIXBZIGV-VXKWHMMOSA-N 2 1 368.496 3.516 20 0 FHADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300968 935500387 /nfs/dbraw/zinc/50/03/87/935500387.db2.gz MOMWHOWIXBZIGV-FGZHOGPDSA-N 2 1 368.496 3.516 20 0 FHADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300968 935500391 /nfs/dbraw/zinc/50/03/91/935500391.db2.gz MOMWHOWIXBZIGV-FGZHOGPDSA-N 2 1 368.496 3.516 20 0 FHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000647248692 935554450 /nfs/dbraw/zinc/55/44/50/935554450.db2.gz STBFDZWVSMFFRG-CTNGQTDRSA-N 2 1 364.468 3.651 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122646 945108720 /nfs/dbraw/zinc/10/87/20/945108720.db2.gz DJOAVTHMMNDZGR-PXNSSMCTSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122646 945108724 /nfs/dbraw/zinc/10/87/24/945108724.db2.gz DJOAVTHMMNDZGR-PXNSSMCTSA-N 2 1 369.896 3.776 20 0 FHADMP COc1ccc(Br)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000582365249 935571977 /nfs/dbraw/zinc/57/19/77/935571977.db2.gz OIPUFZFPLCWDHX-HNNXBMFYSA-N 2 1 367.331 3.621 20 0 FHADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167568491 935599902 /nfs/dbraw/zinc/59/99/02/935599902.db2.gz UECBRZBCVVMZHC-PKTZIBPZSA-N 2 1 371.569 3.894 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657414892 935630419 /nfs/dbraw/zinc/63/04/19/935630419.db2.gz FWIDCIAHAZYKBW-GHTZIAJQSA-N 2 1 352.526 3.683 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000511122986 935686287 /nfs/dbraw/zinc/68/62/87/935686287.db2.gz RPINWNKCSMXESU-UHFFFAOYSA-N 2 1 359.558 3.914 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000582606799 935865954 /nfs/dbraw/zinc/86/59/54/935865954.db2.gz XEOLYVHYWGLLKD-DOTOQJQBSA-N 2 1 363.933 3.605 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc2c(c1)CCO2 ZINC000152833679 935869323 /nfs/dbraw/zinc/86/93/23/935869323.db2.gz DPLIAZXAQGWYDY-JOCHJYFZSA-N 2 1 365.521 3.764 20 0 FHADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc12 ZINC000116368383 935928339 /nfs/dbraw/zinc/92/83/39/935928339.db2.gz UEQOZGAKSSBSTG-KRWDZBQOSA-N 2 1 363.509 3.592 20 0 FHADMP Cc1sc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1C ZINC000075713443 936015477 /nfs/dbraw/zinc/01/54/77/936015477.db2.gz QZKXJZXXALHMAW-UHFFFAOYSA-N 2 1 351.560 3.664 20 0 FHADMP Cc1sc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1C ZINC000075713443 936015478 /nfs/dbraw/zinc/01/54/78/936015478.db2.gz QZKXJZXXALHMAW-UHFFFAOYSA-N 2 1 351.560 3.664 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313721 936044480 /nfs/dbraw/zinc/04/44/80/936044480.db2.gz BAZRDMYNGVMCLH-RBUKOAKNSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313721 936044483 /nfs/dbraw/zinc/04/44/83/936044483.db2.gz BAZRDMYNGVMCLH-RBUKOAKNSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313721 936044486 /nfs/dbraw/zinc/04/44/86/936044486.db2.gz BAZRDMYNGVMCLH-RBUKOAKNSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313721 936044489 /nfs/dbraw/zinc/04/44/89/936044489.db2.gz BAZRDMYNGVMCLH-RBUKOAKNSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313719 936044509 /nfs/dbraw/zinc/04/45/09/936044509.db2.gz BAZRDMYNGVMCLH-RTBURBONSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313719 936044512 /nfs/dbraw/zinc/04/45/12/936044512.db2.gz BAZRDMYNGVMCLH-RTBURBONSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313719 936044515 /nfs/dbraw/zinc/04/45/15/936044515.db2.gz BAZRDMYNGVMCLH-RTBURBONSA-N 2 1 368.525 3.866 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000077313719 936044518 /nfs/dbraw/zinc/04/45/18/936044518.db2.gz BAZRDMYNGVMCLH-RTBURBONSA-N 2 1 368.525 3.866 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3Cl)cc2)C1 ZINC000657594279 936073724 /nfs/dbraw/zinc/07/37/24/936073724.db2.gz IAJHFANTLIDINV-INIZCTEOSA-N 2 1 365.304 3.850 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3Cl)cc2)C1 ZINC000657594279 936073728 /nfs/dbraw/zinc/07/37/28/936073728.db2.gz IAJHFANTLIDINV-INIZCTEOSA-N 2 1 365.304 3.850 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000657599160 936082123 /nfs/dbraw/zinc/08/21/23/936082123.db2.gz PFOZMSHJHZGRSN-LEWJYISDSA-N 2 1 371.569 3.668 20 0 FHADMP CC1(C)CC([NH3+])CC(C)(C)N1c1c[nH+]c2c(Br)cccn12 ZINC001167625589 936194781 /nfs/dbraw/zinc/19/47/81/936194781.db2.gz WHJVSQFKDMJZJM-UHFFFAOYSA-N 2 1 351.292 3.582 20 0 FHADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000073906659 936212280 /nfs/dbraw/zinc/21/22/80/936212280.db2.gz BDHMJCZJKHTSAY-UHFFFAOYSA-N 2 1 354.498 3.526 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000080339057 938249558 /nfs/dbraw/zinc/24/95/58/938249558.db2.gz VNZPKGDGTXCCGL-FXAWDEMLSA-N 2 1 354.494 3.847 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000080339057 938249560 /nfs/dbraw/zinc/24/95/60/938249560.db2.gz VNZPKGDGTXCCGL-FXAWDEMLSA-N 2 1 354.494 3.847 20 0 FHADMP Fc1cccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]2CCCO2)c1 ZINC000583446056 938256365 /nfs/dbraw/zinc/25/63/65/938256365.db2.gz MGPGVUIQTMOSRP-JOCHJYFZSA-N 2 1 354.469 3.653 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000650705979 938284611 /nfs/dbraw/zinc/28/46/11/938284611.db2.gz BKESZVPBYVNSMC-JQVVWYNYSA-N 2 1 358.526 3.726 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707175 938289102 /nfs/dbraw/zinc/28/91/02/938289102.db2.gz ZZQWVGHWNVABSF-CKEIUWERSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707432 938289538 /nfs/dbraw/zinc/28/95/38/938289538.db2.gz GCWUBKWUFUJZQN-QMTMVMCOSA-N 2 1 354.897 3.630 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722646 938309763 /nfs/dbraw/zinc/30/97/63/938309763.db2.gz YORVMGLBBIDULB-NEWSRXKRSA-N 2 1 357.523 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722645 938309786 /nfs/dbraw/zinc/30/97/86/938309786.db2.gz YORVMGLBBIDULB-BHIYHBOVSA-N 2 1 357.523 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723254 938310356 /nfs/dbraw/zinc/31/03/56/938310356.db2.gz KIHNCRXRNMPLSM-PVAVHDDUSA-N 2 1 363.552 3.732 20 0 FHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723773 938310915 /nfs/dbraw/zinc/31/09/15/938310915.db2.gz TVVQBHLDSZPKGD-RCCFBDPRSA-N 2 1 356.432 3.875 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000728571946 938329930 /nfs/dbraw/zinc/32/99/30/938329930.db2.gz OLMXITBOXLBXEP-UHFFFAOYSA-N 2 1 359.558 3.975 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000728571946 938329935 /nfs/dbraw/zinc/32/99/35/938329935.db2.gz OLMXITBOXLBXEP-UHFFFAOYSA-N 2 1 359.558 3.975 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000246281318 938354668 /nfs/dbraw/zinc/35/46/68/938354668.db2.gz MONLWCUXGWQCLN-IRFPFTSISA-N 2 1 369.553 3.598 20 0 FHADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650751900 938397476 /nfs/dbraw/zinc/39/74/76/938397476.db2.gz DWCOQLWVYIVZTB-LLVKDONJSA-N 2 1 352.837 3.806 20 0 FHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566701283 938418179 /nfs/dbraw/zinc/41/81/79/938418179.db2.gz OGFYKDVGDKBRTQ-STQMWFEESA-N 2 1 355.295 3.593 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000278442643 938431340 /nfs/dbraw/zinc/43/13/40/938431340.db2.gz KPGYCADDESXSII-UADZTWIMSA-N 3 1 353.554 3.646 20 0 FHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000278442643 938431343 /nfs/dbraw/zinc/43/13/43/938431343.db2.gz KPGYCADDESXSII-UADZTWIMSA-N 2 1 353.554 3.646 20 0 FHADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516714360 945177826 /nfs/dbraw/zinc/17/78/26/945177826.db2.gz LEDVSNXYRZMCOT-ZZTDLJEGSA-N 2 1 352.522 3.651 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000536158661 938478304 /nfs/dbraw/zinc/47/83/04/938478304.db2.gz PKOPIGNYCWQOTP-RXVVDRJESA-N 2 1 362.533 3.875 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)CC1 ZINC000563819695 938500185 /nfs/dbraw/zinc/50/01/85/938500185.db2.gz NYTITJZHPODRSC-UHFFFAOYSA-N 2 1 373.541 3.609 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000584012309 938543050 /nfs/dbraw/zinc/54/30/50/938543050.db2.gz LIEIWUXUUOFBGQ-JUXOCIIHSA-N 2 1 372.940 3.916 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000132836744 938543963 /nfs/dbraw/zinc/54/39/63/938543963.db2.gz LFRUDTRAQMMISZ-CHWSQXEVSA-N 2 1 373.360 3.662 20 0 FHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000584023604 938552526 /nfs/dbraw/zinc/55/25/26/938552526.db2.gz VAZGEPLCTZYVKO-SFHVURJKSA-N 2 1 358.555 3.601 20 0 FHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000584023604 938552528 /nfs/dbraw/zinc/55/25/28/938552528.db2.gz VAZGEPLCTZYVKO-SFHVURJKSA-N 2 1 358.555 3.601 20 0 FHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1SC ZINC000133060142 938557393 /nfs/dbraw/zinc/55/73/93/938557393.db2.gz XFJLUJZKCJYWMZ-CVEARBPZSA-N 2 1 364.555 3.569 20 0 FHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000657836726 938644273 /nfs/dbraw/zinc/64/42/73/938644273.db2.gz VNAVFWHZLVAPBQ-FQEVSTJZSA-N 2 1 351.966 3.668 20 0 FHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657836482 938646953 /nfs/dbraw/zinc/64/69/53/938646953.db2.gz UTCUYCNIDMMGCD-WBVHZDCISA-N 2 1 351.332 3.844 20 0 FHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836880 938659917 /nfs/dbraw/zinc/65/99/17/938659917.db2.gz XATMJGQNOQGKPV-WMZOPIPTSA-N 2 1 353.501 3.635 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000657837962 938681306 /nfs/dbraw/zinc/68/13/06/938681306.db2.gz LBFCAVBRLFHSFC-XXBNENTESA-N 2 1 374.569 3.840 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000584346558 938694263 /nfs/dbraw/zinc/69/42/63/938694263.db2.gz PYPKIZGSIATXOM-SIKLNZKXSA-N 2 1 368.521 3.550 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666748 938862482 /nfs/dbraw/zinc/86/24/82/938862482.db2.gz ZYESLCLQTNUCME-UGKGYDQZSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666748 938862486 /nfs/dbraw/zinc/86/24/86/938862486.db2.gz ZYESLCLQTNUCME-UGKGYDQZSA-N 2 1 371.569 3.716 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000090585516 938880409 /nfs/dbraw/zinc/88/04/09/938880409.db2.gz ZWJLMCPJHSHHIV-DLBZAZTESA-N 2 1 357.542 3.935 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091336533 938900276 /nfs/dbraw/zinc/90/02/76/938900276.db2.gz XBVNBKQCAUSGIP-RTBURBONSA-N 2 1 370.459 3.983 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000092043332 938910129 /nfs/dbraw/zinc/91/01/29/938910129.db2.gz WPLBAGLODGWZAR-CVEARBPZSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000092043332 938910131 /nfs/dbraw/zinc/91/01/31/938910131.db2.gz WPLBAGLODGWZAR-CVEARBPZSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000092043332 938910133 /nfs/dbraw/zinc/91/01/33/938910133.db2.gz WPLBAGLODGWZAR-CVEARBPZSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000092043332 938910138 /nfs/dbraw/zinc/91/01/38/938910138.db2.gz WPLBAGLODGWZAR-CVEARBPZSA-N 2 1 372.431 3.552 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cn1 ZINC000092737874 938918908 /nfs/dbraw/zinc/91/89/08/938918908.db2.gz XUTRDEUGNFIUNK-BBWFWOEESA-N 2 1 357.473 3.681 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000657884615 938971861 /nfs/dbraw/zinc/97/18/61/938971861.db2.gz WZBDIHAUVQEYSP-VYDXJSESSA-N 2 1 355.473 3.807 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000657884615 938971862 /nfs/dbraw/zinc/97/18/62/938971862.db2.gz WZBDIHAUVQEYSP-VYDXJSESSA-N 2 1 355.473 3.807 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3OC3CC3)CC2)C[C@H](C)O1 ZINC000685417572 938985093 /nfs/dbraw/zinc/98/50/93/938985093.db2.gz VLJQXQZDYDDVBS-HDICACEKSA-N 2 1 358.526 3.549 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCc2cc(O)ccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685429413 938986534 /nfs/dbraw/zinc/98/65/34/938986534.db2.gz JPPLRZNTFLTLDA-MTNREXPMSA-N 2 1 350.506 3.750 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)CC1 ZINC000685463160 938988718 /nfs/dbraw/zinc/98/87/18/938988718.db2.gz UBXJCTFSINTLQC-CQSZACIVSA-N 2 1 355.295 3.752 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C)nc3)CC2)c1C ZINC000685468708 938989124 /nfs/dbraw/zinc/98/91/24/938989124.db2.gz NXLLBJLRCCQTEL-UHFFFAOYSA-N 2 1 368.525 3.507 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C)nc3)CC2)c1C ZINC000685468708 938989125 /nfs/dbraw/zinc/98/91/25/938989125.db2.gz NXLLBJLRCCQTEL-UHFFFAOYSA-N 2 1 368.525 3.507 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000657904939 938995562 /nfs/dbraw/zinc/99/55/62/938995562.db2.gz VVTXLGPIAICZDA-OXQOHEQNSA-N 2 1 357.498 3.663 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566856 939001279 /nfs/dbraw/zinc/00/12/79/939001279.db2.gz YQTJDRVHJPWPTD-MAUKXSAKSA-N 2 1 359.539 3.566 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657969712 939013510 /nfs/dbraw/zinc/01/35/10/939013510.db2.gz UDZAHVXPPNAPBB-OXQOHEQNSA-N 2 1 365.477 3.635 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)ccn3)CC2)cs1 ZINC000375784442 939013943 /nfs/dbraw/zinc/01/39/43/939013943.db2.gz HWQSLNHPCIKRMV-INIZCTEOSA-N 2 1 358.555 3.972 20 0 FHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000658004352 939018505 /nfs/dbraw/zinc/01/85/05/939018505.db2.gz YLGLGWYNWOZEEH-SFHVURJKSA-N 2 1 371.491 3.642 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023064 939019158 /nfs/dbraw/zinc/01/91/58/939019158.db2.gz IWVOLJKASZFJOQ-SFTDATJTSA-N 2 1 374.594 3.791 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023061 939019185 /nfs/dbraw/zinc/01/91/85/939019185.db2.gz IWVOLJKASZFJOQ-LEWJYISDSA-N 2 1 374.594 3.791 20 0 FHADMP FC(F)[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067929 939021542 /nfs/dbraw/zinc/02/15/42/939021542.db2.gz SGVQUMQUNQGYOX-FQEVSTJZSA-N 2 1 366.496 3.734 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000658136731 939030879 /nfs/dbraw/zinc/03/08/79/939030879.db2.gz FAHCWEMKQMNHMM-IRLDBZIGSA-N 2 1 353.510 3.525 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142794 939035648 /nfs/dbraw/zinc/03/56/48/939035648.db2.gz WMZJVIIGHDVEQC-GMAHTHKFSA-N 2 1 350.506 3.811 20 0 FHADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(C)c1F ZINC000658143122 939036122 /nfs/dbraw/zinc/03/61/22/939036122.db2.gz WRKQNIRXRDPZKT-UWJYYQICSA-N 2 1 356.485 3.860 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143458 939036538 /nfs/dbraw/zinc/03/65/38/939036538.db2.gz YJUWEDRRAVZIAR-NQIIRXRSSA-N 2 1 360.448 3.772 20 0 FHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143489 939036627 /nfs/dbraw/zinc/03/66/27/939036627.db2.gz YYLWTVSPXYRHBA-ICPLQIHGSA-N 2 1 368.496 3.806 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138184 939042320 /nfs/dbraw/zinc/04/23/20/939042320.db2.gz NBAMUEHAGXGIGX-KXBFYZLASA-N 2 1 374.912 3.766 20 0 FHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316896 939109870 /nfs/dbraw/zinc/10/98/70/939109870.db2.gz HZJNPHGFUYDNCP-FGZHOGPDSA-N 2 1 366.553 3.800 20 0 FHADMP c1cn2c(n1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318269 939110007 /nfs/dbraw/zinc/11/00/07/939110007.db2.gz OQFSOUMRWNOYBW-VQTJNVASSA-N 2 1 350.510 3.610 20 0 FHADMP c1cn2c(n1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318269 939110010 /nfs/dbraw/zinc/11/00/10/939110010.db2.gz OQFSOUMRWNOYBW-VQTJNVASSA-N 2 1 350.510 3.610 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319976 939110340 /nfs/dbraw/zinc/11/03/40/939110340.db2.gz KUAZZBGTDSIHRK-RTWAWAEBSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319978 939110528 /nfs/dbraw/zinc/11/05/28/939110528.db2.gz KUAZZBGTDSIHRK-SFTDATJTSA-N 2 1 352.526 3.763 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc23)[C@@H](C)C1 ZINC000658318863 939110635 /nfs/dbraw/zinc/11/06/35/939110635.db2.gz TURNBKNTDTUTIY-WMZOPIPTSA-N 2 1 361.555 3.565 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](CNC3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319792 939111144 /nfs/dbraw/zinc/11/11/44/939111144.db2.gz IWGIGDAVYDCDTI-JOCHJYFZSA-N 2 1 367.581 3.753 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319792 939111145 /nfs/dbraw/zinc/11/11/45/939111145.db2.gz IWGIGDAVYDCDTI-JOCHJYFZSA-N 3 1 367.581 3.753 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319792 939111146 /nfs/dbraw/zinc/11/11/46/939111146.db2.gz IWGIGDAVYDCDTI-JOCHJYFZSA-N 3 1 367.581 3.753 20 0 FHADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320431 939111393 /nfs/dbraw/zinc/11/13/93/939111393.db2.gz XUNGJNDJXBQMFS-FPOVZHCZSA-N 2 1 352.526 3.554 20 0 FHADMP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319493 939111648 /nfs/dbraw/zinc/11/16/48/939111648.db2.gz CVDXVOUTZVUXHF-AZUAARDMSA-N 2 1 350.510 3.738 20 0 FHADMP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319493 939111650 /nfs/dbraw/zinc/11/16/50/939111650.db2.gz CVDXVOUTZVUXHF-AZUAARDMSA-N 2 1 350.510 3.738 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686511 939137840 /nfs/dbraw/zinc/13/78/40/939137840.db2.gz RIXAVWOCMAEULS-ZJSXRUAMSA-N 2 1 371.613 3.993 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000519224113 945230430 /nfs/dbraw/zinc/23/04/30/945230430.db2.gz OIYULXYFEMWVEK-LJQANCHMSA-N 2 1 359.558 3.872 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000507461153 945250670 /nfs/dbraw/zinc/25/06/70/945250670.db2.gz KRLLURCQFGUILS-INIZCTEOSA-N 2 1 356.514 3.812 20 0 FHADMP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(OC)c1OCc1ccccc1 ZINC000414902263 945261477 /nfs/dbraw/zinc/26/14/77/945261477.db2.gz HKWVJNHQVHXPPU-LJQANCHMSA-N 2 1 370.493 3.515 20 0 FHADMP c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000507499279 945269192 /nfs/dbraw/zinc/26/91/92/945269192.db2.gz YIQPLLOXPVGEHP-BFRACDOUSA-N 2 1 364.537 3.867 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507487531 945274510 /nfs/dbraw/zinc/27/45/10/945274510.db2.gz RIRRBEAABZPHKY-SLFFLAALSA-N 2 1 358.526 3.609 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000507489680 945277042 /nfs/dbraw/zinc/27/70/42/945277042.db2.gz XUDXBNYXVPQBOC-MSOLQXFVSA-N 2 1 353.510 3.716 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000507489680 945277047 /nfs/dbraw/zinc/27/70/47/945277047.db2.gz XUDXBNYXVPQBOC-MSOLQXFVSA-N 2 1 353.510 3.716 20 0 FHADMP CCC(CC)[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000310512663 939905912 /nfs/dbraw/zinc/90/59/12/939905912.db2.gz ISGJEFKFVHDOEF-SFHVURJKSA-N 2 1 355.567 3.590 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000431636018 939911678 /nfs/dbraw/zinc/91/16/78/939911678.db2.gz NKOWOMQPDHTNQV-NRFANRHFSA-N 2 1 357.542 3.553 20 0 FHADMP CSc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000507507056 945286903 /nfs/dbraw/zinc/28/69/03/945286903.db2.gz HBSCYYGXLHKPSX-XUVXKRRUSA-N 2 1 353.535 3.804 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162246427 940036940 /nfs/dbraw/zinc/03/69/40/940036940.db2.gz GYRWZLREAVOOTC-INIZCTEOSA-N 2 1 368.525 3.682 20 0 FHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452147 940193583 /nfs/dbraw/zinc/19/35/83/940193583.db2.gz CGCDXTCCANQXRB-MRXNPFEDSA-N 2 1 372.431 3.628 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452147 940193585 /nfs/dbraw/zinc/19/35/85/940193585.db2.gz CGCDXTCCANQXRB-MRXNPFEDSA-N 2 1 372.431 3.628 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452147 940193587 /nfs/dbraw/zinc/19/35/87/940193587.db2.gz CGCDXTCCANQXRB-MRXNPFEDSA-N 2 1 372.431 3.628 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452147 940193590 /nfs/dbraw/zinc/19/35/90/940193590.db2.gz CGCDXTCCANQXRB-MRXNPFEDSA-N 2 1 372.431 3.628 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431729524 940427315 /nfs/dbraw/zinc/42/73/15/940427315.db2.gz RBXDEWZBMYEBMU-UGKGYDQZSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431729524 940427317 /nfs/dbraw/zinc/42/73/17/940427317.db2.gz RBXDEWZBMYEBMU-UGKGYDQZSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431729524 940427318 /nfs/dbraw/zinc/42/73/18/940427318.db2.gz RBXDEWZBMYEBMU-UGKGYDQZSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431729523 940427340 /nfs/dbraw/zinc/42/73/40/940427340.db2.gz RBXDEWZBMYEBMU-SIKLNZKXSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431729523 940427343 /nfs/dbraw/zinc/42/73/43/940427343.db2.gz RBXDEWZBMYEBMU-SIKLNZKXSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431729523 940427344 /nfs/dbraw/zinc/42/73/44/940427344.db2.gz RBXDEWZBMYEBMU-SIKLNZKXSA-N 2 1 371.569 3.942 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000685849513 940461355 /nfs/dbraw/zinc/46/13/55/940461355.db2.gz LIFNFEIQLMQXQC-RTWAWAEBSA-N 2 1 358.526 3.551 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414072533 940480238 /nfs/dbraw/zinc/48/02/38/940480238.db2.gz MQYDGHZAUCQOCR-HKUYNNGSSA-N 2 1 350.934 3.803 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414072537 940480267 /nfs/dbraw/zinc/48/02/67/940480267.db2.gz MQYDGHZAUCQOCR-IEBWSBKVSA-N 2 1 350.934 3.803 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414104359 940508768 /nfs/dbraw/zinc/50/87/68/940508768.db2.gz FOYCMMIPQPVAMS-WIYYLYMNSA-N 2 1 368.521 3.811 20 0 FHADMP c1ccc([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000660628250 945327923 /nfs/dbraw/zinc/32/79/23/945327923.db2.gz ROOYXAOHTZOWBS-NHCUHLMSSA-N 2 1 364.537 3.926 20 0 FHADMP c1ccc([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000660628250 945327932 /nfs/dbraw/zinc/32/79/32/945327932.db2.gz ROOYXAOHTZOWBS-NHCUHLMSSA-N 2 1 364.537 3.926 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000660624300 945330303 /nfs/dbraw/zinc/33/03/03/945330303.db2.gz YXUWTGGHDKEESX-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)no1 ZINC000570825218 940589088 /nfs/dbraw/zinc/58/90/88/940589088.db2.gz IRBQWJUFJWZLEO-ZIFCJYIRSA-N 2 1 371.525 3.843 20 0 FHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414115110 940602435 /nfs/dbraw/zinc/60/24/35/940602435.db2.gz MOAJIVNZOSVCHN-QGZVFWFLSA-N 2 1 372.582 3.734 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414174675 940711993 /nfs/dbraw/zinc/71/19/93/940711993.db2.gz GSHVLWKSKZULMU-KNQAVFIVSA-N 2 1 353.510 3.696 20 0 FHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184866 940726646 /nfs/dbraw/zinc/72/66/46/940726646.db2.gz OOZLWACMNMDXKO-KBPBESRZSA-N 2 1 372.294 3.674 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000613492360 940775871 /nfs/dbraw/zinc/77/58/71/940775871.db2.gz JUDDWOQGIGDFCR-IBGZPJMESA-N 2 1 371.569 3.798 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892580693 940836536 /nfs/dbraw/zinc/83/65/36/940836536.db2.gz NLTSOTWTIZIUEB-KRWDZBQOSA-N 2 1 352.526 3.962 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H](C)C1 ZINC000414343794 941013910 /nfs/dbraw/zinc/01/39/10/941013910.db2.gz RBQRLBHKLLFCJL-HQMSXXKGSA-N 2 1 360.542 3.525 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543931 941065692 /nfs/dbraw/zinc/06/56/92/941065692.db2.gz UOOJACRIVKOPFB-HUUCEWRRSA-N 2 1 360.452 3.567 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(SC)cc1OC ZINC000647543934 941065863 /nfs/dbraw/zinc/06/58/63/941065863.db2.gz UPGCKVODZRMQFY-HOTGVXAUSA-N 2 1 364.555 3.637 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544063 941066058 /nfs/dbraw/zinc/06/60/58/941066058.db2.gz VYOCZKCJTQPFEO-HUUCEWRRSA-N 2 1 354.441 3.508 20 0 FHADMP Clc1cccc2c1SCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523100 941124615 /nfs/dbraw/zinc/12/46/15/941124615.db2.gz VLQWCFBCYHPPPD-JTTJXQCZSA-N 2 1 365.974 3.683 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285880 941147232 /nfs/dbraw/zinc/14/72/32/941147232.db2.gz SVCQTFIIIXWPRL-BTYIYWSLSA-N 2 1 360.461 3.593 20 0 FHADMP COC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CCOCC1 ZINC000188046915 941298792 /nfs/dbraw/zinc/29/87/92/941298792.db2.gz QCBUDAPYPFMHIA-WIYYLYMNSA-N 2 1 360.542 3.681 20 0 FHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498794 941314688 /nfs/dbraw/zinc/31/46/88/941314688.db2.gz LGKZMQKDUOJQHR-YLJYHZDGSA-N 2 1 360.448 3.500 20 0 FHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498794 941314692 /nfs/dbraw/zinc/31/46/92/941314692.db2.gz LGKZMQKDUOJQHR-YLJYHZDGSA-N 2 1 360.448 3.500 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000311697177 941360609 /nfs/dbraw/zinc/36/06/09/941360609.db2.gz TZXZOTAPHXHKOZ-AZUAARDMSA-N 2 1 353.510 3.707 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000311697177 941360611 /nfs/dbraw/zinc/36/06/11/941360611.db2.gz TZXZOTAPHXHKOZ-AZUAARDMSA-N 2 1 353.510 3.707 20 0 FHADMP CC(C)C[C@H]([NH3+])c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000414611979 941398269 /nfs/dbraw/zinc/39/82/69/941398269.db2.gz CLURPRHGMIGOOU-LVCYWYKZSA-N 2 1 354.498 3.669 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415052220 941567475 /nfs/dbraw/zinc/56/74/75/941567475.db2.gz MUPONOOSRBZBIS-UNMCSNQZSA-N 2 1 351.494 3.625 20 0 FHADMP Brc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051617 941567484 /nfs/dbraw/zinc/56/74/84/941567484.db2.gz MFWHMUUKAANGJU-KDOFPFPSSA-N 2 1 374.326 3.961 20 0 FHADMP Brc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051617 941567486 /nfs/dbraw/zinc/56/74/86/941567486.db2.gz MFWHMUUKAANGJU-KDOFPFPSSA-N 2 1 374.326 3.961 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415057803 941570574 /nfs/dbraw/zinc/57/05/74/941570574.db2.gz UJEYPOVOJWYYDQ-OPAMFIHVSA-N 2 1 372.484 3.830 20 0 FHADMP C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000415054875 941574739 /nfs/dbraw/zinc/57/47/39/941574739.db2.gz NYICXUFOVPSOCT-VNCLNFNDSA-N 2 1 369.475 3.615 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057106 941576662 /nfs/dbraw/zinc/57/66/62/941576662.db2.gz TYUCSSMVVXVHJU-RXVVDRJESA-N 2 1 352.526 3.960 20 0 FHADMP Fc1ccccc1-c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415057213 941576770 /nfs/dbraw/zinc/57/67/70/941576770.db2.gz RLIPLXOAWHRDER-UHFFFAOYSA-N 2 1 373.541 3.860 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057107 941576856 /nfs/dbraw/zinc/57/68/56/941576856.db2.gz TYUCSSMVVXVHJU-WIYYLYMNSA-N 2 1 352.526 3.960 20 0 FHADMP CCCOc1ccccc1Oc1ncccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415075867 941586765 /nfs/dbraw/zinc/58/67/65/941586765.db2.gz ANNTYLZOSGAGRG-OAQYLSRUSA-N 2 1 355.482 3.752 20 0 FHADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2)CC1 ZINC000415082206 941592510 /nfs/dbraw/zinc/59/25/10/941592510.db2.gz LOKUIZXWWSVLMJ-YADHBBJMSA-N 2 1 364.537 3.901 20 0 FHADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415083462 941592864 /nfs/dbraw/zinc/59/28/64/941592864.db2.gz FNRGSNRDRACQBX-RCOXNQKVSA-N 2 1 358.432 3.878 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000415102488 941605036 /nfs/dbraw/zinc/60/50/36/941605036.db2.gz DUBLJSCYLPHATJ-AEFFLSMTSA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000415109700 941606765 /nfs/dbraw/zinc/60/67/65/941606765.db2.gz NYKRTYCMZUCCQK-SJORKVTESA-N 2 1 360.395 3.563 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122820 941619071 /nfs/dbraw/zinc/61/90/71/941619071.db2.gz ISBPKYXSLJGHMX-VQIMIIECSA-N 2 1 354.494 3.788 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 ZINC000415123618 941620076 /nfs/dbraw/zinc/62/00/76/941620076.db2.gz LNFAXJZHVDCBQT-PBHICJAKSA-N 2 1 360.395 3.563 20 0 FHADMP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000549195885 941621459 /nfs/dbraw/zinc/62/14/59/941621459.db2.gz CIVMSFRVHGZSFE-SFHVURJKSA-N 2 1 360.299 3.919 20 0 FHADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000549195885 941621460 /nfs/dbraw/zinc/62/14/60/941621460.db2.gz CIVMSFRVHGZSFE-SFHVURJKSA-N 2 1 360.299 3.919 20 0 FHADMP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000892856709 941623935 /nfs/dbraw/zinc/62/39/35/941623935.db2.gz MSPMMQWEZCYBAU-MRXNPFEDSA-N 2 1 358.555 3.833 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)C1 ZINC000415131045 941624459 /nfs/dbraw/zinc/62/44/59/941624459.db2.gz YITIFGJBHDHBSL-WBVHZDCISA-N 2 1 360.395 3.563 20 0 FHADMP C[NH2+]CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000415132425 941624581 /nfs/dbraw/zinc/62/45/81/941624581.db2.gz LFZXNKWBZPQAEM-UHFFFAOYSA-N 2 1 364.493 3.589 20 0 FHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000415132425 941624582 /nfs/dbraw/zinc/62/45/82/941624582.db2.gz LFZXNKWBZPQAEM-UHFFFAOYSA-N 2 1 364.493 3.589 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H]1c1cccnc1 ZINC000377297184 941626797 /nfs/dbraw/zinc/62/67/97/941626797.db2.gz ITZXCNZYTBAESF-GMAHTHKFSA-N 2 1 358.489 3.926 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H]1c1cccnc1 ZINC000377297184 941626798 /nfs/dbraw/zinc/62/67/98/941626798.db2.gz ITZXCNZYTBAESF-GMAHTHKFSA-N 2 1 358.489 3.926 20 0 FHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000549250266 941753021 /nfs/dbraw/zinc/75/30/21/941753021.db2.gz BAKJNRBYOVDFON-LJQANCHMSA-N 2 1 354.542 3.997 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204951 941779803 /nfs/dbraw/zinc/77/98/03/941779803.db2.gz YDLKCMDTEWKSBF-SIKLNZKXSA-N 2 1 365.606 3.510 20 0 FHADMP CC[NH+](CC)CC1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000509915989 941804241 /nfs/dbraw/zinc/80/42/41/941804241.db2.gz JROYKYURPDRXGN-UHFFFAOYSA-N 2 1 371.569 3.865 20 0 FHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377558829 941807146 /nfs/dbraw/zinc/80/71/46/941807146.db2.gz ATFBMWBXHFOODW-GOSISDBHSA-N 2 1 373.472 3.553 20 0 FHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000644530734 941827219 /nfs/dbraw/zinc/82/72/19/941827219.db2.gz LRQWOJASXLKWKM-IBGZPJMESA-N 2 1 369.484 3.656 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)CC1 ZINC000093132875 941843385 /nfs/dbraw/zinc/84/33/85/941843385.db2.gz WGTPKPOZKKZYDE-SFHVURJKSA-N 2 1 373.541 3.766 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000119641865 941892439 /nfs/dbraw/zinc/89/24/39/941892439.db2.gz JXDGGSGGWZFCSC-UHFFFAOYSA-N 2 1 355.526 3.762 20 0 FHADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2)c1 ZINC000513406692 941901214 /nfs/dbraw/zinc/90/12/14/941901214.db2.gz WEXVZEZKJMNUFR-NRFANRHFSA-N 2 1 352.526 3.960 20 0 FHADMP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2)c1 ZINC000513406692 941901219 /nfs/dbraw/zinc/90/12/19/941901219.db2.gz WEXVZEZKJMNUFR-NRFANRHFSA-N 2 1 352.526 3.960 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467196528 941911852 /nfs/dbraw/zinc/91/18/52/941911852.db2.gz KWHCBROALXJKQI-NRFANRHFSA-N 2 1 366.590 3.939 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC000093133181 941942972 /nfs/dbraw/zinc/94/29/72/941942972.db2.gz JEUICAVAFFZZBV-KRWDZBQOSA-N 2 1 373.928 3.812 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469151 941945891 /nfs/dbraw/zinc/94/58/91/941945891.db2.gz NHEJLLSSWJAISG-WMZHIEFXSA-N 3 1 351.538 3.891 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469151 941945893 /nfs/dbraw/zinc/94/58/93/941945893.db2.gz NHEJLLSSWJAISG-WMZHIEFXSA-N 3 1 351.538 3.891 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659862941 941954096 /nfs/dbraw/zinc/95/40/96/941954096.db2.gz GDSMTEWHIOGCNR-RZUBCFFCSA-N 2 1 355.570 3.597 20 0 FHADMP CCOc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510281 941971891 /nfs/dbraw/zinc/97/18/91/941971891.db2.gz AWVLQYFUFFCFAP-AZUAARDMSA-N 2 1 353.510 3.871 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543934 942004570 /nfs/dbraw/zinc/00/45/70/942004570.db2.gz BCIIBOSDGFFBEP-UYAOXDASSA-N 2 1 362.521 3.964 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1nccc2ccccc21 ZINC000377811958 942007297 /nfs/dbraw/zinc/00/72/97/942007297.db2.gz QZHBDFHBYWUFCE-SHJAMOMRSA-N 2 1 353.510 3.775 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1nccc2ccccc21 ZINC000377811958 942007303 /nfs/dbraw/zinc/00/73/03/942007303.db2.gz QZHBDFHBYWUFCE-SHJAMOMRSA-N 2 1 353.510 3.775 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1OC(F)F ZINC000513679012 942078783 /nfs/dbraw/zinc/07/87/83/942078783.db2.gz TXCFAGLHVWACCV-ARFHVFGLSA-N 2 1 354.441 3.649 20 0 FHADMP Cn1nc(CCC[N@@H+](C)CCCC2CC[NH2+]CC2)cc1-c1ccc(F)cc1 ZINC000647881197 942125133 /nfs/dbraw/zinc/12/51/33/942125133.db2.gz RQZMLHOPSWQFQK-UHFFFAOYSA-N 2 1 372.532 3.870 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994303 942159262 /nfs/dbraw/zinc/15/92/62/942159262.db2.gz MPVXPSSHTRENKV-HJNYFJLDSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000501994303 942159267 /nfs/dbraw/zinc/15/92/67/942159267.db2.gz MPVXPSSHTRENKV-HJNYFJLDSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000501994303 942159272 /nfs/dbraw/zinc/15/92/72/942159272.db2.gz MPVXPSSHTRENKV-HJNYFJLDSA-N 2 1 371.569 3.668 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415962744 942201972 /nfs/dbraw/zinc/20/19/72/942201972.db2.gz UQTGHCGJUAJQMY-BLLLJJGKSA-N 2 1 372.435 3.501 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000415959688 942208568 /nfs/dbraw/zinc/20/85/68/942208568.db2.gz TUZNNFWENGUEJP-FQEVSTJZSA-N 2 1 366.509 3.582 20 0 FHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974110 942210375 /nfs/dbraw/zinc/21/03/75/942210375.db2.gz RKRJPZVLJQPPQO-INIZCTEOSA-N 2 1 372.435 3.550 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000415967683 942213419 /nfs/dbraw/zinc/21/34/19/942213419.db2.gz BTHMIKKWZHUVKB-MJGOQNOKSA-N 2 1 358.530 3.524 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977445 942220143 /nfs/dbraw/zinc/22/01/43/942220143.db2.gz YHOGFQDYLGCPHB-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCCC[C@H]1C ZINC000415978169 942220815 /nfs/dbraw/zinc/22/08/15/942220815.db2.gz XGEFLFFQPHZFQC-CHWSQXEVSA-N 2 1 372.435 3.549 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415983076 942222496 /nfs/dbraw/zinc/22/24/96/942222496.db2.gz YXCCBDBKUJYLJJ-UTKZUKDTSA-N 2 1 366.509 3.662 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415982312 942225951 /nfs/dbraw/zinc/22/59/51/942225951.db2.gz KUGIOCGRCYFUFT-ROUUACIJSA-N 2 1 366.509 3.533 20 0 FHADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420914876 942266236 /nfs/dbraw/zinc/26/62/36/942266236.db2.gz KRUKXLASBBFNCY-YPAWHYETSA-N 2 1 372.553 3.544 20 0 FHADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420914876 942266239 /nfs/dbraw/zinc/26/62/39/942266239.db2.gz KRUKXLASBBFNCY-YPAWHYETSA-N 2 1 372.553 3.544 20 0 FHADMP c1cc(C[NH+]2CCC(OCC3CCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420918203 942267726 /nfs/dbraw/zinc/26/77/26/942267726.db2.gz VIYGHLXCBMZOEK-UHFFFAOYSA-N 2 1 372.553 3.690 20 0 FHADMP CCOc1ccc(OCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501043295 942272221 /nfs/dbraw/zinc/27/22/21/942272221.db2.gz BWMDTWHBPRECDX-UHFFFAOYSA-N 2 1 369.509 3.708 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584558490 942317972 /nfs/dbraw/zinc/31/79/72/942317972.db2.gz SEFPVHSPSIMHII-RTBURBONSA-N 2 1 364.896 3.799 20 0 FHADMP Cc1cc(C(F)(F)F)cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH+]1 ZINC000664238100 942369056 /nfs/dbraw/zinc/36/90/56/942369056.db2.gz VYPPTJLNSLRBLZ-KRWDZBQOSA-N 2 1 365.399 3.588 20 0 FHADMP Cc1cc(C(F)(F)F)cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH+]1 ZINC000664238100 942369061 /nfs/dbraw/zinc/36/90/61/942369061.db2.gz VYPPTJLNSLRBLZ-KRWDZBQOSA-N 2 1 365.399 3.588 20 0 FHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3c(F)cccc3F)CCC2)s1 ZINC000414502619 942376766 /nfs/dbraw/zinc/37/67/66/942376766.db2.gz GSDVHCDUQYLDTP-UHFFFAOYSA-N 2 1 351.466 3.694 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404205 942434401 /nfs/dbraw/zinc/43/44/01/942434401.db2.gz ZPNPXBPWQRWREY-IBGZPJMESA-N 2 1 352.526 3.559 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404205 942434404 /nfs/dbraw/zinc/43/44/04/942434404.db2.gz ZPNPXBPWQRWREY-IBGZPJMESA-N 2 1 352.526 3.559 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404205 942434409 /nfs/dbraw/zinc/43/44/09/942434409.db2.gz ZPNPXBPWQRWREY-IBGZPJMESA-N 2 1 352.526 3.559 20 0 FHADMP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713228 942447255 /nfs/dbraw/zinc/44/72/55/942447255.db2.gz MMNOSDOEEFSGIU-CEXWTWQISA-N 2 1 370.459 3.846 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[C@H](C)[NH+](C)C)c2c1C ZINC000664244099 942491739 /nfs/dbraw/zinc/49/17/39/942491739.db2.gz PBPMNEOTBIWIKJ-ZDUSSCGKSA-N 2 1 361.559 3.656 20 0 FHADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000501460413 942494317 /nfs/dbraw/zinc/49/43/17/942494317.db2.gz GIXAPRVDCSDSES-GASDECPXSA-N 2 1 350.506 3.563 20 0 FHADMP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000501460413 942494320 /nfs/dbraw/zinc/49/43/20/942494320.db2.gz GIXAPRVDCSDSES-GASDECPXSA-N 2 1 350.506 3.563 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000501475625 942501664 /nfs/dbraw/zinc/50/16/64/942501664.db2.gz JVAADTFUPRKBJB-QMJOVRGKSA-N 2 1 370.459 3.791 20 0 FHADMP CC[NH+]1CCC([N@H+](CCCc2nc(-c3ccccc3)no2)C2CC2)CC1 ZINC000378288497 942526515 /nfs/dbraw/zinc/52/65/15/942526515.db2.gz CQYCXVKRPWYSPF-UHFFFAOYSA-N 2 1 354.498 3.618 20 0 FHADMP CC[NH+]1CCC([N@@H+](CCCc2nc(-c3ccccc3)no2)C2CC2)CC1 ZINC000378288497 942526522 /nfs/dbraw/zinc/52/65/22/942526522.db2.gz CQYCXVKRPWYSPF-UHFFFAOYSA-N 2 1 354.498 3.618 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCCC1 ZINC000414837952 942537245 /nfs/dbraw/zinc/53/72/45/942537245.db2.gz HPJVWJRUIVIJLG-UHFFFAOYSA-N 2 1 361.493 3.686 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000378298092 942549072 /nfs/dbraw/zinc/54/90/72/942549072.db2.gz WTJSXYPLDSAUJE-KRWDZBQOSA-N 2 1 369.444 3.650 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000378298092 942549076 /nfs/dbraw/zinc/54/90/76/942549076.db2.gz WTJSXYPLDSAUJE-KRWDZBQOSA-N 2 1 369.444 3.650 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501617141 942576546 /nfs/dbraw/zinc/57/65/46/942576546.db2.gz GKMWFERHTQHQKP-RTBURBONSA-N 2 1 368.525 3.518 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000501617141 942576549 /nfs/dbraw/zinc/57/65/49/942576549.db2.gz GKMWFERHTQHQKP-RTBURBONSA-N 2 1 368.525 3.518 20 0 FHADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000513717724 942579551 /nfs/dbraw/zinc/57/95/51/942579551.db2.gz RHPBTRHHGLTJNT-KRWDZBQOSA-N 2 1 366.496 3.911 20 0 FHADMP CCc1ccc(CC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000420302272 942610771 /nfs/dbraw/zinc/61/07/71/942610771.db2.gz BQLFQDAQAOOPHK-IBGZPJMESA-N 2 1 355.551 3.892 20 0 FHADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341986 942624743 /nfs/dbraw/zinc/62/47/43/942624743.db2.gz PDDWUEOLQAUESH-USXIJHARSA-N 2 1 358.461 3.567 20 0 FHADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341984 942625116 /nfs/dbraw/zinc/62/51/16/942625116.db2.gz PDDWUEOLQAUESH-BHYGNILZSA-N 2 1 358.461 3.567 20 0 FHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327052 942629553 /nfs/dbraw/zinc/62/95/53/942629553.db2.gz CRJGWCDWGYLYDK-DZFGPLHGSA-N 2 1 363.505 3.931 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1F ZINC000420379982 942647512 /nfs/dbraw/zinc/64/75/12/942647512.db2.gz BXYSNNKTUUADKT-HKUYNNGSSA-N 2 1 372.488 3.581 20 0 FHADMP Cn1nc(CCC[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000502683051 942657196 /nfs/dbraw/zinc/65/71/96/942657196.db2.gz LSIPGLVBJFOVHZ-HXUWFJFHSA-N 2 1 358.505 3.575 20 0 FHADMP Cn1nc(CCC[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1-c1ccc(F)cc1 ZINC000502683051 942657201 /nfs/dbraw/zinc/65/72/01/942657201.db2.gz LSIPGLVBJFOVHZ-HXUWFJFHSA-N 2 1 358.505 3.575 20 0 FHADMP Cn1nc(CCC[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1-c1ccc(F)cc1 ZINC000502683051 942657205 /nfs/dbraw/zinc/65/72/05/942657205.db2.gz LSIPGLVBJFOVHZ-HXUWFJFHSA-N 2 1 358.505 3.575 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)cc1)C(C)C ZINC000434420711 942663209 /nfs/dbraw/zinc/66/32/09/942663209.db2.gz RXMXAYOQTSRDLO-OAQYLSRUSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1)C(C)C ZINC000434420711 942663212 /nfs/dbraw/zinc/66/32/12/942663212.db2.gz RXMXAYOQTSRDLO-OAQYLSRUSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1)C(C)C ZINC000434420711 942663215 /nfs/dbraw/zinc/66/32/15/942663215.db2.gz RXMXAYOQTSRDLO-OAQYLSRUSA-N 2 1 357.542 3.664 20 0 FHADMP COCC[N@@H+](C)CCCC1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000501787886 942673595 /nfs/dbraw/zinc/67/35/95/942673595.db2.gz BKCUETVTTJUQMG-UHFFFAOYSA-N 2 1 362.562 3.569 20 0 FHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000501787886 942673600 /nfs/dbraw/zinc/67/36/00/942673600.db2.gz BKCUETVTTJUQMG-UHFFFAOYSA-N 2 1 362.562 3.569 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000501787886 942673604 /nfs/dbraw/zinc/67/36/04/942673604.db2.gz BKCUETVTTJUQMG-UHFFFAOYSA-N 2 1 362.562 3.569 20 0 FHADMP CC[N@@H+](Cc1cnc2ccccc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659971637 942690610 /nfs/dbraw/zinc/69/06/10/942690610.db2.gz QXHNWXNWHOZFOJ-HXUWFJFHSA-N 2 1 360.505 3.974 20 0 FHADMP CC[N@H+](Cc1cnc2ccccc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659971637 942690615 /nfs/dbraw/zinc/69/06/15/942690615.db2.gz QXHNWXNWHOZFOJ-HXUWFJFHSA-N 2 1 360.505 3.974 20 0 FHADMP CC[NH+](Cc1cnc2ccccc2n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659971637 942690622 /nfs/dbraw/zinc/69/06/22/942690622.db2.gz QXHNWXNWHOZFOJ-HXUWFJFHSA-N 2 1 360.505 3.974 20 0 FHADMP CC[NH+](Cc1cnc2ccccc2n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659971637 942690626 /nfs/dbraw/zinc/69/06/26/942690626.db2.gz QXHNWXNWHOZFOJ-HXUWFJFHSA-N 2 1 360.505 3.974 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCCCC2=O)CC1 ZINC000513754357 942734150 /nfs/dbraw/zinc/73/41/50/942734150.db2.gz KHZBMCDBCFQSAW-UHFFFAOYSA-N 2 1 371.569 3.812 20 0 FHADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000514083953 942735152 /nfs/dbraw/zinc/73/51/52/942735152.db2.gz PBHCVZCUEJQFOP-UHFFFAOYSA-N 2 1 369.912 3.862 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000514089130 942740532 /nfs/dbraw/zinc/74/05/32/942740532.db2.gz ORYXMBWSQVIEPK-OKZBNKHCSA-N 2 1 356.432 3.728 20 0 FHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502795004 942748402 /nfs/dbraw/zinc/74/84/02/942748402.db2.gz JNKMWXBOEMRKOT-OALUTQOASA-N 2 1 374.573 3.680 20 0 FHADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114777 942754800 /nfs/dbraw/zinc/75/48/00/942754800.db2.gz KEADSDNCAOXCFQ-FXAWDEMLSA-N 2 1 351.494 3.698 20 0 FHADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114777 942754803 /nfs/dbraw/zinc/75/48/03/942754803.db2.gz KEADSDNCAOXCFQ-FXAWDEMLSA-N 2 1 351.494 3.698 20 0 FHADMP C[N@@H+](CCCO[C@@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000514130500 942763112 /nfs/dbraw/zinc/76/31/12/942763112.db2.gz LGAOQZVTANIYGL-OAQYLSRUSA-N 2 1 361.530 3.553 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000502852709 942797234 /nfs/dbraw/zinc/79/72/34/942797234.db2.gz KHXKDMQOHMTSGT-OAQYLSRUSA-N 2 1 371.569 3.668 20 0 FHADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@H]2CCCO2)cc1)C[C@H]1CCCO1 ZINC000514198614 942808912 /nfs/dbraw/zinc/80/89/12/942808912.db2.gz DUIDPJBUFSXPHO-FGZHOGPDSA-N 2 1 360.542 3.688 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000430110458 942922201 /nfs/dbraw/zinc/92/22/01/942922201.db2.gz YRLXEDRVFAYFEP-UXHICEINSA-N 2 1 363.496 3.696 20 0 FHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856960 943030419 /nfs/dbraw/zinc/03/04/19/943030419.db2.gz ZUIXSCCSMNZERH-DYVFJYSZSA-N 2 1 367.921 3.563 20 0 FHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000503197939 943047781 /nfs/dbraw/zinc/04/77/81/943047781.db2.gz JTFKGYIMAPPQMT-QRFRQXIXSA-N 2 1 366.571 3.641 20 0 FHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655588 943111350 /nfs/dbraw/zinc/11/13/50/943111350.db2.gz DIBXEDFIUQTNRA-AZUAARDMSA-N 2 1 360.505 3.768 20 0 FHADMP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(-c2ccccc2)cc1OC ZINC000422561383 943182436 /nfs/dbraw/zinc/18/24/36/943182436.db2.gz KYLUDHOJHOKXCD-UHFFFAOYSA-N 2 1 352.478 3.699 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1F ZINC000272662290 943195594 /nfs/dbraw/zinc/19/55/94/943195594.db2.gz IFCOZDGKUMMBBN-UHFFFAOYSA-N 2 1 371.485 3.535 20 0 FHADMP Cc1nc(COc2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2)cs1 ZINC000430135718 943213659 /nfs/dbraw/zinc/21/36/59/943213659.db2.gz UJKKUCFAKXNWFC-HXUWFJFHSA-N 2 1 357.523 3.558 20 0 FHADMP Cc1nc(COc2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2)cs1 ZINC000430135718 943213667 /nfs/dbraw/zinc/21/36/67/943213667.db2.gz UJKKUCFAKXNWFC-HXUWFJFHSA-N 2 1 357.523 3.558 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)cs1 ZINC000430135718 943213673 /nfs/dbraw/zinc/21/36/73/943213673.db2.gz UJKKUCFAKXNWFC-HXUWFJFHSA-N 2 1 357.523 3.558 20 0 FHADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)cs1 ZINC000430135718 943213684 /nfs/dbraw/zinc/21/36/84/943213684.db2.gz UJKKUCFAKXNWFC-HXUWFJFHSA-N 2 1 357.523 3.558 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422636178 943216005 /nfs/dbraw/zinc/21/60/05/943216005.db2.gz MOCKVJNSPDNZFR-WSTZPKSXSA-N 2 1 365.521 3.987 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422642687 943219257 /nfs/dbraw/zinc/21/92/57/943219257.db2.gz ZXIOHPFYMKFHOA-LMMKCTJWSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422642687 943219263 /nfs/dbraw/zinc/21/92/63/943219263.db2.gz ZXIOHPFYMKFHOA-LMMKCTJWSA-N 2 1 351.494 3.597 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1)C1CC1 ZINC000511590617 943234958 /nfs/dbraw/zinc/23/49/58/943234958.db2.gz FNECTTRBIKBROD-UHFFFAOYSA-N 2 1 357.542 3.665 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757785 943262734 /nfs/dbraw/zinc/26/27/34/943262734.db2.gz IYZXRTXOKMVNOL-FXECBMLZSA-N 2 1 369.475 3.818 20 0 FHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416982943 943266547 /nfs/dbraw/zinc/26/65/47/943266547.db2.gz WPFDQINWMFAVAV-GHTZIAJQSA-N 2 1 374.573 3.576 20 0 FHADMP CC(C)(C)c1csc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422747258 943270528 /nfs/dbraw/zinc/27/05/28/943270528.db2.gz YGWKHJZXXSDEHY-MGPUTAFESA-N 2 1 357.523 3.786 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797029 943287000 /nfs/dbraw/zinc/28/70/00/943287000.db2.gz KXXUDGAWKWCASB-GXRSIYKFSA-N 2 1 359.558 3.588 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797026 943287327 /nfs/dbraw/zinc/28/73/27/943287327.db2.gz KXXUDGAWKWCASB-CIAFKFPVSA-N 2 1 359.558 3.588 20 0 FHADMP Brc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422788962 943293303 /nfs/dbraw/zinc/29/33/03/943293303.db2.gz WGMQVELOTCAHPF-PKOBYXMFSA-N 2 1 373.294 3.795 20 0 FHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422828530 943298259 /nfs/dbraw/zinc/29/82/59/943298259.db2.gz UBDODPSAXCNSGC-IAGOWNOFSA-N 2 1 373.884 3.720 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832697 943299841 /nfs/dbraw/zinc/29/98/41/943299841.db2.gz VIXSASJHYQGAGW-RCZSKKKRSA-N 2 1 359.558 3.588 20 0 FHADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422850790 943305597 /nfs/dbraw/zinc/30/55/97/943305597.db2.gz DSUQGNWLTDCVLV-SBHAEUEKSA-N 2 1 360.542 3.811 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422873803 943322644 /nfs/dbraw/zinc/32/26/44/943322644.db2.gz BCLSOFLZZKXEAO-ZWKOTPCHSA-N 3 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422873803 943322649 /nfs/dbraw/zinc/32/26/49/943322649.db2.gz BCLSOFLZZKXEAO-ZWKOTPCHSA-N 2 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422873803 943322656 /nfs/dbraw/zinc/32/26/56/943322656.db2.gz BCLSOFLZZKXEAO-ZWKOTPCHSA-N 2 1 366.553 3.931 20 0 FHADMP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422910519 943328494 /nfs/dbraw/zinc/32/84/94/943328494.db2.gz QWQGDOMPJYHUPO-IBGZPJMESA-N 3 1 366.553 3.880 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909491 943328526 /nfs/dbraw/zinc/32/85/26/943328526.db2.gz OESLTMOPWKHWBD-RFWXGWTQSA-N 2 1 371.569 3.733 20 0 FHADMP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909491 943328532 /nfs/dbraw/zinc/32/85/32/943328532.db2.gz OESLTMOPWKHWBD-RFWXGWTQSA-N 2 1 371.569 3.733 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422893312 943330039 /nfs/dbraw/zinc/33/00/39/943330039.db2.gz PZRBYFFTBREPPR-YADHBBJMSA-N 3 1 353.510 3.642 20 0 FHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000414708034 943346330 /nfs/dbraw/zinc/34/63/30/943346330.db2.gz IEZZEBAOJJSAPO-VGOFRKELSA-N 2 1 372.557 3.900 20 0 FHADMP C[NH2+]C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414708192 943348662 /nfs/dbraw/zinc/34/86/62/943348662.db2.gz IQXGGPBTIAIBBM-QGZVFWFLSA-N 2 1 358.530 3.524 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872432 943352231 /nfs/dbraw/zinc/35/22/31/943352231.db2.gz ZYMWTSJFTZDQCM-FPOVZHCZSA-N 2 1 371.569 3.517 20 0 FHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503745489 943352862 /nfs/dbraw/zinc/35/28/62/943352862.db2.gz ZWZSMVMZDYSXRX-AZUAARDMSA-N 2 1 374.573 3.680 20 0 FHADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435375349 943356528 /nfs/dbraw/zinc/35/65/28/943356528.db2.gz MHDHPGKPYQUFLL-YJBOKZPZSA-N 2 1 352.507 3.770 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435375349 943356533 /nfs/dbraw/zinc/35/65/33/943356533.db2.gz MHDHPGKPYQUFLL-YJBOKZPZSA-N 2 1 352.507 3.770 20 0 FHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000435379302 943368010 /nfs/dbraw/zinc/36/80/10/943368010.db2.gz IMICPUYTJQLSAO-UHFFFAOYSA-N 2 1 360.505 3.782 20 0 FHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000435379302 943368013 /nfs/dbraw/zinc/36/80/13/943368013.db2.gz IMICPUYTJQLSAO-UHFFFAOYSA-N 2 1 360.505 3.782 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000435380343 943369116 /nfs/dbraw/zinc/36/91/16/943369116.db2.gz NSJODFOTVSYCID-SJORKVTESA-N 2 1 350.466 3.610 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435381945 943371267 /nfs/dbraw/zinc/37/12/67/943371267.db2.gz YSQSNLGLIXBYJG-MRXNPFEDSA-N 2 1 357.885 3.634 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435381945 943371273 /nfs/dbraw/zinc/37/12/73/943371273.db2.gz YSQSNLGLIXBYJG-MRXNPFEDSA-N 2 1 357.885 3.634 20 0 FHADMP CC(C)c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713236 943373874 /nfs/dbraw/zinc/37/38/74/943373874.db2.gz UDRPPLHLYBJJSF-NQIIRXRSSA-N 2 1 357.542 3.534 20 0 FHADMP CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435387231 943374551 /nfs/dbraw/zinc/37/45/51/943374551.db2.gz YMDHVWAFUDFMKB-HNNXBMFYSA-N 2 1 360.420 3.600 20 0 FHADMP CCC(CC)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(OC)c(OC)c1 ZINC000423052587 943385216 /nfs/dbraw/zinc/38/52/16/943385216.db2.gz QWEIQSSMDIACNP-HNNXBMFYSA-N 2 1 357.498 3.920 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000435396044 943390166 /nfs/dbraw/zinc/39/01/66/943390166.db2.gz UGLMYPICIZVDHK-IFXJQAMLSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000435396044 943390173 /nfs/dbraw/zinc/39/01/73/943390173.db2.gz UGLMYPICIZVDHK-IFXJQAMLSA-N 2 1 357.885 3.761 20 0 FHADMP CCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435431042 943395522 /nfs/dbraw/zinc/39/55/22/943395522.db2.gz BKSSBKFNWYTABX-HNNXBMFYSA-N 2 1 360.420 3.600 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000237131311 943396642 /nfs/dbraw/zinc/39/66/42/943396642.db2.gz ZIWFOEOOHZWPQP-LJQANCHMSA-N 2 1 362.464 3.746 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000237131311 943396648 /nfs/dbraw/zinc/39/66/48/943396648.db2.gz ZIWFOEOOHZWPQP-LJQANCHMSA-N 2 1 362.464 3.746 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423125131 943398400 /nfs/dbraw/zinc/39/84/00/943398400.db2.gz HTEWEHRAABTVBY-KSEOMHKRSA-N 2 1 354.469 3.739 20 0 FHADMP C[C@H](CCc1ccccc1)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420370 943400627 /nfs/dbraw/zinc/40/06/27/943400627.db2.gz BUNGCGSYCMFKOC-TZIWHRDSSA-N 2 1 366.553 3.633 20 0 FHADMP COC(=O)c1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000435421501 943401232 /nfs/dbraw/zinc/40/12/32/943401232.db2.gz JPDGZTXCAPQECI-GOSISDBHSA-N 2 1 374.506 3.580 20 0 FHADMP COC(=O)c1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000435421501 943401238 /nfs/dbraw/zinc/40/12/38/943401238.db2.gz JPDGZTXCAPQECI-GOSISDBHSA-N 2 1 374.506 3.580 20 0 FHADMP C[C@@H](CC1CCOCC1)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426615 943405803 /nfs/dbraw/zinc/40/58/03/943405803.db2.gz JAXWXYHMFJPMNL-FUHWJXTLSA-N 2 1 363.571 3.540 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)cc3cccnc31)CC[NH2+]CC2 ZINC000514941890 943407891 /nfs/dbraw/zinc/40/78/91/943407891.db2.gz KBOHFRQQPMCUJN-CQSZACIVSA-N 2 1 374.326 3.961 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423135166 943414744 /nfs/dbraw/zinc/41/47/44/943414744.db2.gz FHQAIDYLRZFSQX-NKKJXINNSA-N 2 1 365.565 3.837 20 0 FHADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435437404 943415663 /nfs/dbraw/zinc/41/56/63/943415663.db2.gz KKVSYZLDTQSMBY-NRFANRHFSA-N 2 1 353.510 3.851 20 0 FHADMP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423136619 943416092 /nfs/dbraw/zinc/41/60/92/943416092.db2.gz VJDHWRSHKVKQKH-LZJOCLMNSA-N 2 1 372.415 3.634 20 0 FHADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423187069 943435222 /nfs/dbraw/zinc/43/52/22/943435222.db2.gz LQQCPZIGXLJIOA-SFHVURJKSA-N 2 1 365.399 3.737 20 0 FHADMP COc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000423189551 943435694 /nfs/dbraw/zinc/43/56/94/943435694.db2.gz PPSIISGIXCICHO-QHCPKHFHSA-N 2 1 361.489 3.949 20 0 FHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423191116 943437125 /nfs/dbraw/zinc/43/71/25/943437125.db2.gz SEPOLEVPHACYHA-GOSISDBHSA-N 2 1 374.326 3.909 20 0 FHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423261349 943462569 /nfs/dbraw/zinc/46/25/69/943462569.db2.gz JTZVHUDIWHOONM-KBAYOESNSA-N 2 1 352.494 3.798 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423310371 943472007 /nfs/dbraw/zinc/47/20/07/943472007.db2.gz ADWHHJZMLZKHBC-AMIZOPFISA-N 2 1 351.210 3.856 20 0 FHADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423310372 943472102 /nfs/dbraw/zinc/47/21/02/943472102.db2.gz ADWHHJZMLZKHBC-ISVAXAHUSA-N 2 1 351.210 3.856 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423318210 943473904 /nfs/dbraw/zinc/47/39/04/943473904.db2.gz CZOFWDBTJYBOEB-MFKMUULPSA-N 2 1 366.328 3.887 20 0 FHADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423325462 943480853 /nfs/dbraw/zinc/48/08/53/943480853.db2.gz JSUHBAWLZCKPRF-PIGZYNQJSA-N 2 1 364.383 3.930 20 0 FHADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000423354647 943488477 /nfs/dbraw/zinc/48/84/77/943488477.db2.gz NTCYVMPDJSGPKD-LAUBAEHRSA-N 2 1 359.558 3.687 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423381786 943496077 /nfs/dbraw/zinc/49/60/77/943496077.db2.gz OOWFCKNJONOSDA-OUAUKWLOSA-N 2 1 350.356 3.681 20 0 FHADMP Clc1ccccc1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435623439 943525308 /nfs/dbraw/zinc/52/53/08/943525308.db2.gz COPZWNFPTVDZJO-SFHVURJKSA-N 2 1 359.901 3.758 20 0 FHADMP Clc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435623439 943525312 /nfs/dbraw/zinc/52/53/12/943525312.db2.gz COPZWNFPTVDZJO-SFHVURJKSA-N 2 1 359.901 3.758 20 0 FHADMP COc1ccc(OCCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435631048 943528243 /nfs/dbraw/zinc/52/82/43/943528243.db2.gz ZNWQXODTQVTOPT-FQEVSTJZSA-N 2 1 369.509 3.503 20 0 FHADMP COc1ccc(OCCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435631048 943528246 /nfs/dbraw/zinc/52/82/46/943528246.db2.gz ZNWQXODTQVTOPT-FQEVSTJZSA-N 2 1 369.509 3.503 20 0 FHADMP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000504168382 943533617 /nfs/dbraw/zinc/53/36/17/943533617.db2.gz JCQXSSMPJNGDCX-OAQYLSRUSA-N 2 1 351.494 3.967 20 0 FHADMP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000504168382 943533621 /nfs/dbraw/zinc/53/36/21/943533621.db2.gz JCQXSSMPJNGDCX-OAQYLSRUSA-N 2 1 351.494 3.967 20 0 FHADMP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000504171564 943534983 /nfs/dbraw/zinc/53/49/83/943534983.db2.gz ZONTZJGSWOYCJS-NRFANRHFSA-N 2 1 351.494 3.967 20 0 FHADMP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000504171564 943534985 /nfs/dbraw/zinc/53/49/85/943534985.db2.gz ZONTZJGSWOYCJS-NRFANRHFSA-N 2 1 351.494 3.967 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347270 943535112 /nfs/dbraw/zinc/53/51/12/943535112.db2.gz VQNIQDMLTOCEJS-NASSWSRMSA-N 2 1 370.562 3.987 20 0 FHADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414749489 943538694 /nfs/dbraw/zinc/53/86/94/943538694.db2.gz KDYWHVODLZYBFS-HXUWFJFHSA-N 2 1 354.494 3.848 20 0 FHADMP COc1ccccc1[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423510636 943540669 /nfs/dbraw/zinc/54/06/69/943540669.db2.gz MVAOAASIWPEGHQ-YABDQXBESA-N 2 1 371.569 3.733 20 0 FHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423524277 943546605 /nfs/dbraw/zinc/54/66/05/943546605.db2.gz WXXNQYUWUHUROT-FAFZWHIHSA-N 2 1 367.484 3.545 20 0 FHADMP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690864 943558530 /nfs/dbraw/zinc/55/85/30/943558530.db2.gz BVSWNBZXIBESEE-LJQANCHMSA-N 2 1 369.534 3.639 20 0 FHADMP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690864 943558536 /nfs/dbraw/zinc/55/85/36/943558536.db2.gz BVSWNBZXIBESEE-LJQANCHMSA-N 2 1 369.534 3.639 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CCCC2 ZINC000515208168 943567279 /nfs/dbraw/zinc/56/72/79/943567279.db2.gz RKIRSDGXOGOABX-BHIFYINESA-N 2 1 364.537 3.752 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CCCC2 ZINC000515208168 943567281 /nfs/dbraw/zinc/56/72/81/943567281.db2.gz RKIRSDGXOGOABX-BHIFYINESA-N 2 1 364.537 3.752 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423904806 943643752 /nfs/dbraw/zinc/64/37/52/943643752.db2.gz ORBRQWSYDIFYSP-CMKODMSKSA-N 2 1 365.521 3.737 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773975 943729375 /nfs/dbraw/zinc/72/93/75/943729375.db2.gz FAOCPYWZMOYLMY-HOTGVXAUSA-N 2 1 352.906 3.569 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424134851 943747107 /nfs/dbraw/zinc/74/71/07/943747107.db2.gz ODNUPRXKECTJDI-ICSRJNTNSA-N 2 1 351.579 3.835 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000414777234 943760363 /nfs/dbraw/zinc/76/03/63/943760363.db2.gz OGBMDQJMKVCEKT-CVEARBPZSA-N 2 1 362.823 3.687 20 0 FHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000424266541 943813411 /nfs/dbraw/zinc/81/34/11/943813411.db2.gz WXAKDSMVGPNPPG-PPULBPTMSA-N 2 1 372.553 3.589 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)c3cccnc13)CC[NH2+]CC2 ZINC000424292985 943823463 /nfs/dbraw/zinc/82/34/63/943823463.db2.gz PCWSXZHETCLEQA-CQSZACIVSA-N 2 1 374.326 3.961 20 0 FHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)Cc3ccccc32)cc1)C1CC1 ZINC000504821981 943828723 /nfs/dbraw/zinc/82/87/23/943828723.db2.gz YIJSKHCJXCTUOE-UHFFFAOYSA-N 2 1 363.505 3.763 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)Cc3ccccc32)cc1)C1CC1 ZINC000504821981 943828727 /nfs/dbraw/zinc/82/87/27/943828727.db2.gz YIJSKHCJXCTUOE-UHFFFAOYSA-N 2 1 363.505 3.763 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1)C1CC1 ZINC000504821981 943828729 /nfs/dbraw/zinc/82/87/29/943828729.db2.gz YIJSKHCJXCTUOE-UHFFFAOYSA-N 2 1 363.505 3.763 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1)C1CC1 ZINC000504821981 943828733 /nfs/dbraw/zinc/82/87/33/943828733.db2.gz YIJSKHCJXCTUOE-UHFFFAOYSA-N 2 1 363.505 3.763 20 0 FHADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000424274423 943830552 /nfs/dbraw/zinc/83/05/52/943830552.db2.gz YWDZLLXUMGFJKF-JOIKAWEESA-N 2 1 358.526 3.596 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781179 943831531 /nfs/dbraw/zinc/83/15/31/943831531.db2.gz MQRZVGJNUFLWHM-HZPDHXFCSA-N 2 1 354.441 3.508 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414906453 943856476 /nfs/dbraw/zinc/85/64/76/943856476.db2.gz PQXYXVKLQMPHOL-MJGOQNOKSA-N 2 1 369.513 3.694 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785576 943880820 /nfs/dbraw/zinc/88/08/20/943880820.db2.gz SVGGZFPHGMAOOV-UXHICEINSA-N 2 1 351.494 3.579 20 0 FHADMP CCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424374318 943884581 /nfs/dbraw/zinc/88/45/81/943884581.db2.gz IFPVFEIIJUIWTI-CQSZACIVSA-N 2 1 354.441 3.651 20 0 FHADMP COC(=O)[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431996 943908338 /nfs/dbraw/zinc/90/83/38/943908338.db2.gz JKJSRQFFIZSCHT-YFVAEKQCSA-N 2 1 358.526 3.576 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424429438 943924128 /nfs/dbraw/zinc/92/41/28/943924128.db2.gz XAKMPORTEJEMJU-MSOLQXFVSA-N 2 1 366.509 3.580 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000424432969 943927306 /nfs/dbraw/zinc/92/73/06/943927306.db2.gz HWSMBSVCKBWEGD-GOSISDBHSA-N 2 1 372.557 3.962 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033938 943930031 /nfs/dbraw/zinc/93/00/31/943930031.db2.gz PTQMOJMGARDEAV-INIZCTEOSA-N 2 1 352.544 3.542 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033938 943930037 /nfs/dbraw/zinc/93/00/37/943930037.db2.gz PTQMOJMGARDEAV-INIZCTEOSA-N 2 1 352.544 3.542 20 0 FHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033938 943930043 /nfs/dbraw/zinc/93/00/43/943930043.db2.gz PTQMOJMGARDEAV-INIZCTEOSA-N 2 1 352.544 3.542 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789234 943930454 /nfs/dbraw/zinc/93/04/54/943930454.db2.gz YDRJZFNWJKDFDE-OALUTQOASA-N 2 1 352.526 3.817 20 0 FHADMP COc1ccc([C@@H]2CCNC[C@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877362 943977640 /nfs/dbraw/zinc/97/76/40/943977640.db2.gz FSEXXRCQTQBHRO-RBUKOAKNSA-N 2 1 372.534 3.661 20 0 FHADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647937263 944030843 /nfs/dbraw/zinc/03/08/43/944030843.db2.gz URCUEGNCGSKJDQ-DYESRHJHSA-N 2 1 367.493 3.867 20 0 FHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000505136575 944065959 /nfs/dbraw/zinc/06/59/59/944065959.db2.gz SKQZMFZIXGIEEI-NHCUHLMSSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000505136575 944065967 /nfs/dbraw/zinc/06/59/67/944065967.db2.gz SKQZMFZIXGIEEI-NHCUHLMSSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000505136575 944065972 /nfs/dbraw/zinc/06/59/72/944065972.db2.gz SKQZMFZIXGIEEI-NHCUHLMSSA-N 2 1 359.558 3.524 20 0 FHADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414816500 944116511 /nfs/dbraw/zinc/11/65/11/944116511.db2.gz XHBXXKBEPOSPTQ-SGTLLEGYSA-N 2 1 363.299 3.697 20 0 FHADMP CCC[C@@H](C)[C@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000517245538 944138995 /nfs/dbraw/zinc/13/89/95/944138995.db2.gz UHMWNSQAPVONJP-WIYYLYMNSA-N 2 1 363.590 3.610 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000500126466 944141535 /nfs/dbraw/zinc/14/15/35/944141535.db2.gz AHGUGCGAKQHZIQ-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CCCO1 ZINC000894567076 944265907 /nfs/dbraw/zinc/26/59/07/944265907.db2.gz OZQORXIPJZBFSI-ZDUSSCGKSA-N 2 1 353.919 3.540 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CCCO1 ZINC000894567076 944265916 /nfs/dbraw/zinc/26/59/16/944265916.db2.gz OZQORXIPJZBFSI-ZDUSSCGKSA-N 2 1 353.919 3.540 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436400515 944276766 /nfs/dbraw/zinc/27/67/66/944276766.db2.gz KPAIGGXAILTGPK-UEVCKROQSA-N 2 1 350.506 3.679 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000414920173 944297984 /nfs/dbraw/zinc/29/79/84/944297984.db2.gz YRHLXGGJJPXJNJ-QGZVFWFLSA-N 2 1 357.502 3.550 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474442 944299000 /nfs/dbraw/zinc/29/90/00/944299000.db2.gz MUHLMUUQLYZLFV-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474442 944299010 /nfs/dbraw/zinc/29/90/10/944299010.db2.gz MUHLMUUQLYZLFV-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474442 944299019 /nfs/dbraw/zinc/29/90/19/944299019.db2.gz MUHLMUUQLYZLFV-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)c1 ZINC000506474442 944299029 /nfs/dbraw/zinc/29/90/29/944299029.db2.gz MUHLMUUQLYZLFV-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP C[C@@H](CCc1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942809 944299818 /nfs/dbraw/zinc/29/98/18/944299818.db2.gz GUMIQAZYGMOGRW-REWPJTCUSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942809 944299829 /nfs/dbraw/zinc/29/98/29/944299829.db2.gz GUMIQAZYGMOGRW-REWPJTCUSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@@H](CCc1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425942809 944299836 /nfs/dbraw/zinc/29/98/36/944299836.db2.gz GUMIQAZYGMOGRW-REWPJTCUSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@@H](CCc1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425942809 944299843 /nfs/dbraw/zinc/29/98/43/944299843.db2.gz GUMIQAZYGMOGRW-REWPJTCUSA-N 2 1 352.522 3.577 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156815 944312126 /nfs/dbraw/zinc/31/21/26/944312126.db2.gz KWVLIDFDGFNASV-ZEQRLZLVSA-N 2 1 364.533 3.927 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156815 944312132 /nfs/dbraw/zinc/31/21/32/944312132.db2.gz KWVLIDFDGFNASV-ZEQRLZLVSA-N 2 1 364.533 3.927 20 0 FHADMP CCCC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000101659291 944324340 /nfs/dbraw/zinc/32/43/40/944324340.db2.gz WZBFHZIMWVULPF-UHFFFAOYSA-N 2 1 359.558 3.911 20 0 FHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000550180376 944360062 /nfs/dbraw/zinc/36/00/62/944360062.db2.gz BLGIUZJJAAEXQT-UWJYYQICSA-N 2 1 362.477 3.632 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000894316211 944370268 /nfs/dbraw/zinc/37/02/68/944370268.db2.gz JZSTUCYNQAUOCD-FOIQADDNSA-N 2 1 350.466 3.531 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000894316211 944370277 /nfs/dbraw/zinc/37/02/77/944370277.db2.gz JZSTUCYNQAUOCD-FOIQADDNSA-N 2 1 350.466 3.531 20 0 FHADMP CCc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000517537317 944383442 /nfs/dbraw/zinc/38/34/42/944383442.db2.gz OADCPBBVTJWGGR-NRFANRHFSA-N 2 1 357.567 3.779 20 0 FHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cc4ccccc4n(C)c3=O)CC2)C1 ZINC000426300794 944410901 /nfs/dbraw/zinc/41/09/01/944410901.db2.gz JJIJXLVHFAPZNV-UTKZUKDTSA-N 2 1 367.537 3.671 20 0 FHADMP COc1cc2c(cc1OC)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167978136 944435617 /nfs/dbraw/zinc/43/56/17/944435617.db2.gz KMQPWWJJCMSKQL-UDEWTMQYSA-N 2 1 370.537 3.556 20 0 FHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167978652 944444705 /nfs/dbraw/zinc/44/47/05/944444705.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 3 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978652 944444709 /nfs/dbraw/zinc/44/47/09/944444709.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 2 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978652 944444712 /nfs/dbraw/zinc/44/47/12/944444712.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 2 1 368.569 3.559 20 0 FHADMP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000390552978 944446511 /nfs/dbraw/zinc/44/65/11/944446511.db2.gz DVXOITURFOVLPB-NRFANRHFSA-N 2 1 365.565 3.804 20 0 FHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000390552978 944446520 /nfs/dbraw/zinc/44/65/20/944446520.db2.gz DVXOITURFOVLPB-NRFANRHFSA-N 2 1 365.565 3.804 20 0 FHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000467366820 944463262 /nfs/dbraw/zinc/46/32/62/944463262.db2.gz AZEQKDFWMUNTNE-HZPDHXFCSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000467366820 944463265 /nfs/dbraw/zinc/46/32/65/944463265.db2.gz AZEQKDFWMUNTNE-HZPDHXFCSA-N 2 1 358.448 3.727 20 0 FHADMP Fc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167964230 944470564 /nfs/dbraw/zinc/47/05/64/944470564.db2.gz NWMKUKZCVYDOOS-IHWFROFDSA-N 2 1 372.528 3.869 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000426332837 944477412 /nfs/dbraw/zinc/47/74/12/944477412.db2.gz FPPZAUIHCKYLBK-GBESFXJTSA-N 2 1 356.539 3.627 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000426332837 944477416 /nfs/dbraw/zinc/47/74/16/944477416.db2.gz FPPZAUIHCKYLBK-GBESFXJTSA-N 2 1 356.539 3.627 20 0 FHADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000518535842 944487825 /nfs/dbraw/zinc/48/78/25/944487825.db2.gz YBGPFEJMKFJDLO-ZDUSSCGKSA-N 2 1 360.914 3.887 20 0 FHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000518535842 944487827 /nfs/dbraw/zinc/48/78/27/944487827.db2.gz YBGPFEJMKFJDLO-ZDUSSCGKSA-N 2 1 360.914 3.887 20 0 FHADMP COc1ccc2c(c1)SC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167981992 944492626 /nfs/dbraw/zinc/49/26/26/944492626.db2.gz RWAGHHZCWAURDU-MSRNWOCLSA-N 2 1 358.551 3.707 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CS2 ZINC001167982053 944493622 /nfs/dbraw/zinc/49/36/22/944493622.db2.gz UUFFRXFCDYUMTJ-XFYFCPPXSA-N 2 1 358.551 3.707 20 0 FHADMP C[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000517704757 944527712 /nfs/dbraw/zinc/52/77/12/944527712.db2.gz IMYWXCVKBDRZHQ-LJQANCHMSA-N 2 1 365.949 3.714 20 0 FHADMP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000517704757 944527723 /nfs/dbraw/zinc/52/77/23/944527723.db2.gz IMYWXCVKBDRZHQ-LJQANCHMSA-N 2 1 365.949 3.714 20 0 FHADMP c1ccc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964330 944542516 /nfs/dbraw/zinc/54/25/16/944542516.db2.gz PCRYJVQTHCPMMC-GTCWDNOESA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964330 944542522 /nfs/dbraw/zinc/54/25/22/944542522.db2.gz PCRYJVQTHCPMMC-GTCWDNOESA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964330 944542529 /nfs/dbraw/zinc/54/25/29/944542529.db2.gz PCRYJVQTHCPMMC-GTCWDNOESA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964330 944542534 /nfs/dbraw/zinc/54/25/34/944542534.db2.gz PCRYJVQTHCPMMC-GTCWDNOESA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964330 944542537 /nfs/dbraw/zinc/54/25/37/944542537.db2.gz PCRYJVQTHCPMMC-GTCWDNOESA-N 2 1 353.554 3.646 20 0 FHADMP Cc1cc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175894 944559448 /nfs/dbraw/zinc/55/94/48/944559448.db2.gz XDJDTFUZXQKYMN-YESZJQIVSA-N 2 1 368.949 3.584 20 0 FHADMP CCCc1sc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1CC ZINC000516207855 944587490 /nfs/dbraw/zinc/58/74/90/944587490.db2.gz UCAVCJHSWKFLPB-UHFFFAOYSA-N 2 1 372.538 3.662 20 0 FHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000518720001 944645391 /nfs/dbraw/zinc/64/53/91/944645391.db2.gz OYGLNFSIFKRWKK-NRFANRHFSA-N 2 1 374.573 3.592 20 0 FHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000518720001 944645392 /nfs/dbraw/zinc/64/53/92/944645392.db2.gz OYGLNFSIFKRWKK-NRFANRHFSA-N 2 1 374.573 3.592 20 0 FHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000518720001 944645398 /nfs/dbraw/zinc/64/53/98/944645398.db2.gz OYGLNFSIFKRWKK-NRFANRHFSA-N 2 1 374.573 3.592 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(Cl)c1 ZINC000414933246 944719239 /nfs/dbraw/zinc/71/92/39/944719239.db2.gz UFVJBRZLNYWSHZ-WMLDXEAASA-N 2 1 351.922 3.733 20 0 FHADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CC(=O)N(CC)CC)CC2 ZINC001280170187 944790172 /nfs/dbraw/zinc/79/01/72/944790172.db2.gz SULOGZKOOZWTOU-FQEVSTJZSA-N 2 1 365.606 3.859 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445027 944824908 /nfs/dbraw/zinc/82/49/08/944824908.db2.gz KUGRDMFTRVIQLO-PMACEKPBSA-N 2 1 363.590 3.612 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836222 944855282 /nfs/dbraw/zinc/85/52/82/944855282.db2.gz UTUYVLSCCGYBJQ-FPOVZHCZSA-N 2 1 371.569 3.525 20 0 FHADMP C[N@@H+](CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000511669892 944895914 /nfs/dbraw/zinc/89/59/14/944895914.db2.gz YVIZOCNJHAOJEA-UHFFFAOYSA-N 2 1 371.569 3.669 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000511695080 944908862 /nfs/dbraw/zinc/90/88/62/944908862.db2.gz GKKCTABHRKVBJB-RTBURBONSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000511695080 944908867 /nfs/dbraw/zinc/90/88/67/944908867.db2.gz GKKCTABHRKVBJB-RTBURBONSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000511695080 944908873 /nfs/dbraw/zinc/90/88/73/944908873.db2.gz GKKCTABHRKVBJB-RTBURBONSA-N 2 1 359.558 3.769 20 0 FHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010701 944928301 /nfs/dbraw/zinc/92/83/01/944928301.db2.gz QFLCNIYNYZCWOR-GDBMZVCRSA-N 2 1 360.395 3.683 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010701 944928309 /nfs/dbraw/zinc/92/83/09/944928309.db2.gz QFLCNIYNYZCWOR-GDBMZVCRSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010701 944928312 /nfs/dbraw/zinc/92/83/12/944928312.db2.gz QFLCNIYNYZCWOR-GDBMZVCRSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010701 944928320 /nfs/dbraw/zinc/92/83/20/944928320.db2.gz QFLCNIYNYZCWOR-GDBMZVCRSA-N 2 1 360.395 3.683 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000414895994 944937956 /nfs/dbraw/zinc/93/79/56/944937956.db2.gz AIQVXBSAVJMDRR-MRXNPFEDSA-N 2 1 369.513 3.646 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CSC)c2)[C@@H](C)C1 ZINC000437070122 945003801 /nfs/dbraw/zinc/00/38/01/945003801.db2.gz ALVIHMUPKQSCOD-PXNSSMCTSA-N 2 1 350.572 3.776 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000518086038 945005090 /nfs/dbraw/zinc/00/50/90/945005090.db2.gz SGDDFXKVJZNDMR-KDURUIRLSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414949285 945006567 /nfs/dbraw/zinc/00/65/67/945006567.db2.gz ZPVQEHNHHJIKFA-KUHUBIRLSA-N 2 1 357.885 3.680 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638773571 945016946 /nfs/dbraw/zinc/01/69/46/945016946.db2.gz COPPLTMWCVHWNP-WAGURGNTSA-N 2 1 372.578 3.999 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638773571 945016956 /nfs/dbraw/zinc/01/69/56/945016956.db2.gz COPPLTMWCVHWNP-WAGURGNTSA-N 2 1 372.578 3.999 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)c1 ZINC000426150274 945026292 /nfs/dbraw/zinc/02/62/92/945026292.db2.gz SQANXJJFGPCGGQ-KRWDZBQOSA-N 2 1 356.510 3.963 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000519477364 945461709 /nfs/dbraw/zinc/46/17/09/945461709.db2.gz RXIZSSKZOBPRCO-UHFFFAOYSA-N 2 1 370.493 3.550 20 0 FHADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000262011212 945480185 /nfs/dbraw/zinc/48/01/85/945480185.db2.gz UGNMBPRVGYWBLF-UHFFFAOYSA-N 2 1 351.494 3.614 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000281410983 945626073 /nfs/dbraw/zinc/62/60/73/945626073.db2.gz PRLKEYSNBLRSPU-UHFFFAOYSA-N 2 1 369.513 3.661 20 0 FHADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001167968879 945639877 /nfs/dbraw/zinc/63/98/77/945639877.db2.gz WIQMURZGPMGWRM-XVLXNVKGSA-N 2 1 368.443 3.734 20 0 FHADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001167968879 945639879 /nfs/dbraw/zinc/63/98/79/945639879.db2.gz WIQMURZGPMGWRM-XVLXNVKGSA-N 2 1 368.443 3.734 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612725 945707380 /nfs/dbraw/zinc/70/73/80/945707380.db2.gz NSSRFXWKGADHDC-GOEBONIOSA-N 2 1 366.431 3.819 20 0 FHADMP Cc1ccc(OCc2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000262033530 945730792 /nfs/dbraw/zinc/73/07/92/945730792.db2.gz OHXVGOZNVIDKEE-UHFFFAOYSA-N 2 1 357.523 3.606 20 0 FHADMP Cc1ccc(OCc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000262033530 945730798 /nfs/dbraw/zinc/73/07/98/945730798.db2.gz OHXVGOZNVIDKEE-UHFFFAOYSA-N 2 1 357.523 3.606 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@@H](C)C1 ZINC000544373827 945750393 /nfs/dbraw/zinc/75/03/93/945750393.db2.gz UCLCMSPHLHGMPA-GUYCJALGSA-N 2 1 364.331 3.793 20 0 FHADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110914053 945783078 /nfs/dbraw/zinc/78/30/78/945783078.db2.gz FEVUSAOHKPJUKL-UHFFFAOYSA-N 2 1 365.521 3.778 20 0 FHADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110914053 945783085 /nfs/dbraw/zinc/78/30/85/945783085.db2.gz FEVUSAOHKPJUKL-UHFFFAOYSA-N 2 1 365.521 3.778 20 0 FHADMP C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000324369948 945785794 /nfs/dbraw/zinc/78/57/94/945785794.db2.gz KLSZYOAOUNQUIY-OAHLLOKOSA-N 2 1 352.906 3.713 20 0 FHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](CC)c1ccccc1 ZINC000519906489 945870981 /nfs/dbraw/zinc/87/09/81/945870981.db2.gz FODQASJCOZKAEE-NRFANRHFSA-N 2 1 357.542 3.593 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000651809724 945997705 /nfs/dbraw/zinc/99/77/05/945997705.db2.gz FRSDVPMRFMQXSL-FQEVSTJZSA-N 2 1 352.526 3.653 20 0 FHADMP Cc1cc(Cl)nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000281977957 946022672 /nfs/dbraw/zinc/02/26/72/946022672.db2.gz KMPXADGRUSPCBS-UHFFFAOYSA-N 2 1 372.944 3.864 20 0 FHADMP CC1(C)C[NH+](C/C=C/C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)[C@@H]2CCC[C@H]2O1 ZINC000440946272 946042015 /nfs/dbraw/zinc/04/20/15/946042015.db2.gz UHJBJDPLMONNIG-FGAQLQNGSA-N 2 1 362.558 3.606 20 0 FHADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000301982144 946065333 /nfs/dbraw/zinc/06/53/33/946065333.db2.gz AFRZDCUPQZKNJE-INIZCTEOSA-N 2 1 353.510 3.795 20 0 FHADMP Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301985918 946065994 /nfs/dbraw/zinc/06/59/94/946065994.db2.gz LZLFSVVECKRSJK-HDICACEKSA-N 2 1 353.510 3.869 20 0 FHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806582 946161874 /nfs/dbraw/zinc/16/18/74/946161874.db2.gz VSCBMNKQVCNLDO-SFHVURJKSA-N 2 1 373.541 3.610 20 0 FHADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCc1ccccc1 ZINC000520213212 946277774 /nfs/dbraw/zinc/27/77/74/946277774.db2.gz LEQCZTBZOIFUTE-UHFFFAOYSA-N 2 1 351.450 3.569 20 0 FHADMP CCn1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000473117145 946297575 /nfs/dbraw/zinc/29/75/75/946297575.db2.gz AHRNKOUFJRMRCP-UHFFFAOYSA-N 2 1 363.509 3.800 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469891710 946317682 /nfs/dbraw/zinc/31/76/82/946317682.db2.gz SROARYVHNVSNDX-ZMSDIMECSA-N 2 1 352.906 3.697 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469891710 946317696 /nfs/dbraw/zinc/31/76/96/946317696.db2.gz SROARYVHNVSNDX-ZMSDIMECSA-N 2 1 352.906 3.697 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc2ccccc21 ZINC000441250396 946345243 /nfs/dbraw/zinc/34/52/43/946345243.db2.gz QMFOWGWYRATSPK-UNWVZKJWSA-N 2 1 368.521 3.792 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188183470 946403752 /nfs/dbraw/zinc/40/37/52/946403752.db2.gz SYNPCYRRSVDNBC-KGLIPLIRSA-N 2 1 350.304 3.811 20 0 FHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475119841 946419468 /nfs/dbraw/zinc/41/94/68/946419468.db2.gz OFQJIIARTLAWKL-UHFFFAOYSA-N 2 1 366.431 3.652 20 0 FHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475119841 946419475 /nfs/dbraw/zinc/41/94/75/946419475.db2.gz OFQJIIARTLAWKL-UHFFFAOYSA-N 2 1 366.431 3.652 20 0 FHADMP C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487460 946424856 /nfs/dbraw/zinc/42/48/56/946424856.db2.gz JWVLENDEUWKSGJ-STQMWFEESA-N 2 1 361.477 3.991 20 0 FHADMP C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487460 946424864 /nfs/dbraw/zinc/42/48/64/946424864.db2.gz JWVLENDEUWKSGJ-STQMWFEESA-N 2 1 361.477 3.991 20 0 FHADMP C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488941 946432026 /nfs/dbraw/zinc/43/20/26/946432026.db2.gz VTUOAZOIJYNXCT-XLAORIBOSA-N 2 1 365.562 3.532 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1(C)C ZINC000441328525 946456949 /nfs/dbraw/zinc/45/69/49/946456949.db2.gz IBUHONQWIVUZPP-UHFFFAOYSA-N 2 1 355.501 3.608 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432229948 946488040 /nfs/dbraw/zinc/48/80/40/946488040.db2.gz WIVMMMJIWABFNS-UHFFFAOYSA-N 2 1 350.359 3.562 20 0 FHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520365033 946501188 /nfs/dbraw/zinc/50/11/88/946501188.db2.gz HCWSVQPXZXNGRY-SFHVURJKSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396832 946559887 /nfs/dbraw/zinc/55/98/87/946559887.db2.gz OTIKHZARLMNCMA-AEFFLSMTSA-N 2 1 372.475 3.711 20 0 FHADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057917 946592720 /nfs/dbraw/zinc/59/27/20/946592720.db2.gz ONICNEOAJOLMGU-IPJJNNNSSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@H]([N@@H+](C(C)C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057917 946592730 /nfs/dbraw/zinc/59/27/30/946592730.db2.gz ONICNEOAJOLMGU-IPJJNNNSSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057917 946592743 /nfs/dbraw/zinc/59/27/43/946592743.db2.gz ONICNEOAJOLMGU-IPJJNNNSSA-N 2 1 371.569 3.759 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561372 946662070 /nfs/dbraw/zinc/66/20/70/946662070.db2.gz YFBQAYNGVXRIDZ-XNOWSJKESA-N 3 1 367.581 3.894 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC(N3CCCC3=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059354 946691158 /nfs/dbraw/zinc/69/11/58/946691158.db2.gz TWHKKJACLWEQPE-HATOLVCRSA-N 2 1 369.553 3.515 20 0 FHADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)C(C)C ZINC000112658362 946712825 /nfs/dbraw/zinc/71/28/25/946712825.db2.gz IKWHQHVTDISWKI-QGZVFWFLSA-N 2 1 363.571 3.540 20 0 FHADMP Cc1cccc(C)c1OCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000112731258 946733696 /nfs/dbraw/zinc/73/36/96/946733696.db2.gz LOXIFZNDZAGUGX-SZPZYZBQSA-N 2 1 373.585 3.563 20 0 FHADMP COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059904 946744051 /nfs/dbraw/zinc/74/40/51/946744051.db2.gz HKPMYTMAYHXNSY-NRVIEEGESA-N 2 1 358.526 3.559 20 0 FHADMP COC(=O)[C@@H]1C[C@H](C)C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059904 946744057 /nfs/dbraw/zinc/74/40/57/946744057.db2.gz HKPMYTMAYHXNSY-NRVIEEGESA-N 2 1 358.526 3.559 20 0 FHADMP COC(=O)[C@@H]1C[C@H](C)C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059904 946744060 /nfs/dbraw/zinc/74/40/60/946744060.db2.gz HKPMYTMAYHXNSY-NRVIEEGESA-N 2 1 358.526 3.559 20 0 FHADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC000035012030 946769997 /nfs/dbraw/zinc/76/99/97/946769997.db2.gz XOYDVRBOVVXFEO-AWEZNQCLSA-N 2 1 355.320 3.812 20 0 FHADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000035012030 946769989 /nfs/dbraw/zinc/76/99/89/946769989.db2.gz XOYDVRBOVVXFEO-AWEZNQCLSA-N 2 1 355.320 3.812 20 0 FHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475287417 946825306 /nfs/dbraw/zinc/82/53/06/946825306.db2.gz OJADNISDQUYALF-ICSRJNTNSA-N 2 1 362.521 3.996 20 0 FHADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337194 946836472 /nfs/dbraw/zinc/83/64/72/946836472.db2.gz RGUMRUAFUOOSMB-UHFFFAOYSA-N 2 1 360.505 3.787 20 0 FHADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000647975334 946861566 /nfs/dbraw/zinc/86/15/66/946861566.db2.gz WNKFEFGEJFLVPK-ZIAGYGMSSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000647975334 946861575 /nfs/dbraw/zinc/86/15/75/946861575.db2.gz WNKFEFGEJFLVPK-ZIAGYGMSSA-N 2 1 370.324 3.644 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346312 946872016 /nfs/dbraw/zinc/87/20/16/946872016.db2.gz YMKTYVRSSYYZGI-DDUZABMNSA-N 2 1 373.324 3.591 20 0 FHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000652346075 946872062 /nfs/dbraw/zinc/87/20/62/946872062.db2.gz SUXGUVDNEICHSH-IRFCIJBXSA-N 2 1 358.526 3.533 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347417 946885862 /nfs/dbraw/zinc/88/58/62/946885862.db2.gz AMTCRRLDEIGSLV-MIZPHKNDSA-N 2 1 368.521 3.827 20 0 FHADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353501 946904384 /nfs/dbraw/zinc/90/43/84/946904384.db2.gz MBFOGNAOKHKEPJ-LAUBAEHRSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353501 946904390 /nfs/dbraw/zinc/90/43/90/946904390.db2.gz MBFOGNAOKHKEPJ-LAUBAEHRSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000652355498 946916551 /nfs/dbraw/zinc/91/65/51/946916551.db2.gz ZKNDNEVGIZOJGZ-LAUBAEHRSA-N 2 1 351.494 3.888 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2cccc3ccccc32)C1 ZINC000652362341 946930591 /nfs/dbraw/zinc/93/05/91/946930591.db2.gz FBIMYXBIPVRNKI-KAGYGMCKSA-N 2 1 354.494 3.579 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417973424 946961230 /nfs/dbraw/zinc/96/12/30/946961230.db2.gz CKXMJXQAGWVKQA-ZRBLBEILSA-N 2 1 350.506 3.537 20 0 FHADMP OC1(c2ccccc2F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995632 946977725 /nfs/dbraw/zinc/97/77/25/946977725.db2.gz LWLBAAWHAKXCEU-DFNIBXOVSA-N 2 1 358.501 3.515 20 0 FHADMP OC1(c2ccccc2F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995632 946977729 /nfs/dbraw/zinc/97/77/29/946977729.db2.gz LWLBAAWHAKXCEU-DFNIBXOVSA-N 2 1 358.501 3.515 20 0 FHADMP O=C1OC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c2ccccc21 ZINC001167995694 946998727 /nfs/dbraw/zinc/99/87/27/946998727.db2.gz OHHGCTARHKPJAD-DFNIBXOVSA-N 2 1 366.505 3.554 20 0 FHADMP Fc1ccc(F)c(O[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995814 947035545 /nfs/dbraw/zinc/03/55/45/947035545.db2.gz QPDLNZQHYNDANN-SWDXFRIISA-N 2 1 362.464 3.823 20 0 FHADMP Fc1ccc(F)c(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995814 947035559 /nfs/dbraw/zinc/03/55/59/947035559.db2.gz QPDLNZQHYNDANN-SWDXFRIISA-N 2 1 362.464 3.823 20 0 FHADMP Fc1ccc(F)c(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167995814 947035575 /nfs/dbraw/zinc/03/55/75/947035575.db2.gz QPDLNZQHYNDANN-SWDXFRIISA-N 2 1 362.464 3.823 20 0 FHADMP Fc1ccc(F)c(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995814 947035583 /nfs/dbraw/zinc/03/55/83/947035583.db2.gz QPDLNZQHYNDANN-SWDXFRIISA-N 2 1 362.464 3.823 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000665629428 947093741 /nfs/dbraw/zinc/09/37/41/947093741.db2.gz KCEFKCJPCGNXKO-INIZCTEOSA-N 2 1 357.502 3.517 20 0 FHADMP CC[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987688 947133814 /nfs/dbraw/zinc/13/38/14/947133814.db2.gz MAZOTSFICWMWLD-GGAORHGYSA-N 2 1 357.586 3.918 20 0 FHADMP CC1(C)C[N@H+](Cc2cnns2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663188015 947328108 /nfs/dbraw/zinc/32/81/08/947328108.db2.gz BQQTXWWWDOPAME-LJQANCHMSA-N 2 1 356.539 3.661 20 0 FHADMP CC1(C)C[N@@H+](Cc2cnns2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663188015 947328117 /nfs/dbraw/zinc/32/81/17/947328117.db2.gz BQQTXWWWDOPAME-LJQANCHMSA-N 2 1 356.539 3.661 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OCC ZINC000301442541 947345282 /nfs/dbraw/zinc/34/52/82/947345282.db2.gz WJDAALZKQWMJGO-CVEARBPZSA-N 2 1 355.482 3.705 20 0 FHADMP Clc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279146297 947346829 /nfs/dbraw/zinc/34/68/29/947346829.db2.gz RGFYJWASRYTBHO-UHFFFAOYSA-N 2 1 358.917 3.525 20 0 FHADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662146867 947370547 /nfs/dbraw/zinc/37/05/47/947370547.db2.gz CCQFBHSWZMHWNC-KRWDZBQOSA-N 2 1 371.352 3.847 20 0 FHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623343805 947529295 /nfs/dbraw/zinc/52/92/95/947529295.db2.gz JCTCOHSAYQWBBB-TZMCWYRMSA-N 2 1 355.320 3.981 20 0 FHADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623343805 947529291 /nfs/dbraw/zinc/52/92/91/947529291.db2.gz JCTCOHSAYQWBBB-TZMCWYRMSA-N 2 1 355.320 3.981 20 0 FHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000523851055 947652499 /nfs/dbraw/zinc/65/24/99/947652499.db2.gz IYLODJHQPHZYJF-CJNGLKHVSA-N 2 1 373.463 3.988 20 0 FHADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523852317 947653530 /nfs/dbraw/zinc/65/35/30/947653530.db2.gz OUBNBEMPRUWEQY-SQGPQFPESA-N 2 1 361.574 3.771 20 0 FHADMP Fc1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662253332 947674521 /nfs/dbraw/zinc/67/45/21/947674521.db2.gz JCWUIDBQJCTCOF-NRFANRHFSA-N 2 1 354.469 3.653 20 0 FHADMP COc1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662252557 947674565 /nfs/dbraw/zinc/67/45/65/947674565.db2.gz AJWMTXGFNYLJGI-QFIPXVFZSA-N 2 1 366.505 3.522 20 0 FHADMP FC(F)Oc1cccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662279851 947699750 /nfs/dbraw/zinc/69/97/50/947699750.db2.gz MNIRWOZRFKFLJP-FQEVSTJZSA-N 2 1 374.431 3.507 20 0 FHADMP FC(F)Oc1cccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662279851 947699753 /nfs/dbraw/zinc/69/97/53/947699753.db2.gz MNIRWOZRFKFLJP-FQEVSTJZSA-N 2 1 374.431 3.507 20 0 FHADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274558 947699994 /nfs/dbraw/zinc/69/99/94/947699994.db2.gz VXKWFYLFZUNILI-QWHCGFSZSA-N 2 1 372.738 3.709 20 0 FHADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662274558 947699998 /nfs/dbraw/zinc/69/99/98/947699998.db2.gz VXKWFYLFZUNILI-QWHCGFSZSA-N 2 1 372.738 3.709 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189397878 947725678 /nfs/dbraw/zinc/72/56/78/947725678.db2.gz VKGOPUCWKQWJTA-PXNSSMCTSA-N 2 1 370.516 3.813 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189397878 947725679 /nfs/dbraw/zinc/72/56/79/947725679.db2.gz VKGOPUCWKQWJTA-PXNSSMCTSA-N 2 1 370.516 3.813 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(C[C@H]2c2nnc(C(C)C)o2)CC1 ZINC000367208616 947742952 /nfs/dbraw/zinc/74/29/52/947742952.db2.gz KFIJOOFOKCBVGA-KRWDZBQOSA-N 2 1 357.502 3.748 20 0 FHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324437 947750979 /nfs/dbraw/zinc/75/09/79/947750979.db2.gz YADCEEASBGOQCQ-YOEHRIQHSA-N 2 1 360.420 3.689 20 0 FHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324437 947750986 /nfs/dbraw/zinc/75/09/86/947750986.db2.gz YADCEEASBGOQCQ-YOEHRIQHSA-N 2 1 360.420 3.689 20 0 FHADMP CCCC[NH+]1CCC(NC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662416773 947787151 /nfs/dbraw/zinc/78/71/51/947787151.db2.gz AYCKLYOLHUCNFN-QGZVFWFLSA-N 2 1 372.340 3.635 20 0 FHADMP Fc1cccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1Br ZINC000663344098 947807632 /nfs/dbraw/zinc/80/76/32/947807632.db2.gz OCNNEDAYAPAOFU-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000662467806 947832807 /nfs/dbraw/zinc/83/28/07/947832807.db2.gz GTTAFJLOLKQITI-GIVPXCGWSA-N 2 1 359.558 3.509 20 0 FHADMP Cc1ccc2cc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000189811415 947841878 /nfs/dbraw/zinc/84/18/78/947841878.db2.gz VQTDLNHFXQOSCB-KDURUIRLSA-N 2 1 367.537 3.864 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000165288215 947874865 /nfs/dbraw/zinc/87/48/65/947874865.db2.gz CNIGUUSBWVFFAW-GHTZIAJQSA-N 2 1 365.521 3.860 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([S@@](C)=O)cc1 ZINC000165321578 947890135 /nfs/dbraw/zinc/89/01/35/947890135.db2.gz CIKNKKMBIKVCEM-GCOVDLRRSA-N 2 1 370.562 3.639 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662590690 947917996 /nfs/dbraw/zinc/91/79/96/947917996.db2.gz SLIGYDKIKORAJY-JOCHJYFZSA-N 2 1 371.569 3.770 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675353 947975008 /nfs/dbraw/zinc/97/50/08/947975008.db2.gz LXTQXOMZSMUNGI-KBXCAEBGSA-N 2 1 369.431 3.542 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675356 947976479 /nfs/dbraw/zinc/97/64/79/947976479.db2.gz LXTQXOMZSMUNGI-RDTXWAMCSA-N 2 1 369.431 3.542 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058729 /nfs/dbraw/zinc/05/87/29/948058729.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058739 /nfs/dbraw/zinc/05/87/39/948058739.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058747 /nfs/dbraw/zinc/05/87/47/948058747.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058753 /nfs/dbraw/zinc/05/87/53/948058753.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058763 /nfs/dbraw/zinc/05/87/63/948058763.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058773 /nfs/dbraw/zinc/05/87/73/948058773.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058782 /nfs/dbraw/zinc/05/87/82/948058782.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 3 1 367.581 3.894 20 0 FHADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469984 948064250 /nfs/dbraw/zinc/06/42/50/948064250.db2.gz SHRMIZYBLLLXHO-GDBMZVCRSA-N 2 1 350.478 3.616 20 0 FHADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469984 948064257 /nfs/dbraw/zinc/06/42/57/948064257.db2.gz SHRMIZYBLLLXHO-GDBMZVCRSA-N 2 1 350.478 3.616 20 0 FHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCC2 ZINC000536425000 948071999 /nfs/dbraw/zinc/07/19/99/948071999.db2.gz YXVAHHUAHWHSHQ-QFIPXVFZSA-N 2 1 371.569 3.720 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1cccc(F)c1 ZINC000166239072 948096219 /nfs/dbraw/zinc/09/62/19/948096219.db2.gz QRIBDVFCRMUNJO-PZJWPPBQSA-N 2 1 367.468 3.794 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1cccc(F)c1 ZINC000166239072 948096229 /nfs/dbraw/zinc/09/62/29/948096229.db2.gz QRIBDVFCRMUNJO-PZJWPPBQSA-N 2 1 367.468 3.794 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823763 948102887 /nfs/dbraw/zinc/10/28/87/948102887.db2.gz AABUVKFDSNKVBZ-KBPBESRZSA-N 2 1 362.440 3.778 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825575 948124013 /nfs/dbraw/zinc/12/40/13/948124013.db2.gz RPXCNEDBQBAGSI-ACIOBRDBSA-N 3 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825575 948124016 /nfs/dbraw/zinc/12/40/16/948124016.db2.gz RPXCNEDBQBAGSI-ACIOBRDBSA-N 3 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825575 948124017 /nfs/dbraw/zinc/12/40/17/948124017.db2.gz RPXCNEDBQBAGSI-ACIOBRDBSA-N 3 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825575 948124019 /nfs/dbraw/zinc/12/40/19/948124019.db2.gz RPXCNEDBQBAGSI-ACIOBRDBSA-N 2 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825575 948124022 /nfs/dbraw/zinc/12/40/22/948124022.db2.gz RPXCNEDBQBAGSI-ACIOBRDBSA-N 2 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@H+]2C[C@@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826741 948136167 /nfs/dbraw/zinc/13/61/67/948136167.db2.gz QXEQXGBMKHCLQP-XJUOHMSHSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN2C[C@@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826741 948136170 /nfs/dbraw/zinc/13/61/70/948136170.db2.gz QXEQXGBMKHCLQP-XJUOHMSHSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN2C[C@@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826741 948136175 /nfs/dbraw/zinc/13/61/75/948136175.db2.gz QXEQXGBMKHCLQP-XJUOHMSHSA-N 2 1 373.585 3.643 20 0 FHADMP CC[C@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC001167827288 948141710 /nfs/dbraw/zinc/14/17/10/948141710.db2.gz VQQYSPOOPSQDEF-MSOLQXFVSA-N 2 1 355.567 3.828 20 0 FHADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527396 948170827 /nfs/dbraw/zinc/17/08/27/948170827.db2.gz MCDJUABCFKLOOA-SDBXPKJASA-N 2 1 351.210 3.856 20 0 FHADMP C[C@H]1CN(CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCO1 ZINC000432346717 948183093 /nfs/dbraw/zinc/18/30/93/948183093.db2.gz KEWKGQSEYVQTJI-HNNXBMFYSA-N 2 1 364.436 3.815 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)cc1 ZINC000512025298 948217635 /nfs/dbraw/zinc/21/76/35/948217635.db2.gz LZANHNXHPULJPT-HXUWFJFHSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000512025298 948217637 /nfs/dbraw/zinc/21/76/37/948217637.db2.gz LZANHNXHPULJPT-HXUWFJFHSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000512025298 948217644 /nfs/dbraw/zinc/21/76/44/948217644.db2.gz LZANHNXHPULJPT-HXUWFJFHSA-N 2 1 359.558 3.769 20 0 FHADMP c1ncn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1C[NH2+]Cc1ccccc1 ZINC001168003259 948289431 /nfs/dbraw/zinc/28/94/31/948289431.db2.gz MILOLXDWZFEOND-WCRBZPEASA-N 2 1 350.510 3.751 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001167837777 948311379 /nfs/dbraw/zinc/31/13/79/948311379.db2.gz MOCDMMBVQZTVFH-XWSJACJDSA-N 2 1 352.563 3.939 20 0 FHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432407495 948346714 /nfs/dbraw/zinc/34/67/14/948346714.db2.gz MHWTZFXDSVOSBA-HZPDHXFCSA-N 2 1 356.457 3.748 20 0 FHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432407495 948346718 /nfs/dbraw/zinc/34/67/18/948346718.db2.gz MHWTZFXDSVOSBA-HZPDHXFCSA-N 2 1 356.457 3.748 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407189 948346730 /nfs/dbraw/zinc/34/67/30/948346730.db2.gz LBGGBUSQOSFLRE-GJZGRUSLSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407189 948346733 /nfs/dbraw/zinc/34/67/33/948346733.db2.gz LBGGBUSQOSFLRE-GJZGRUSLSA-N 2 1 360.420 3.737 20 0 FHADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166851008 948355014 /nfs/dbraw/zinc/35/50/14/948355014.db2.gz JCQKMWRTTVWRIJ-XPNTWCBSSA-N 2 1 366.505 3.515 20 0 FHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410819 948355950 /nfs/dbraw/zinc/35/59/50/948355950.db2.gz RYUFDUWRSVSNPS-QAPCUYQASA-N 2 1 369.347 3.991 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410819 948355959 /nfs/dbraw/zinc/35/59/59/948355959.db2.gz RYUFDUWRSVSNPS-QAPCUYQASA-N 2 1 369.347 3.991 20 0 FHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432408583 948357207 /nfs/dbraw/zinc/35/72/07/948357207.db2.gz CGFLTTZMBDMYEK-HOTGVXAUSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432408583 948357215 /nfs/dbraw/zinc/35/72/15/948357215.db2.gz CGFLTTZMBDMYEK-HOTGVXAUSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412107 948359458 /nfs/dbraw/zinc/35/94/58/948359458.db2.gz AGSYEOLVKZYVOU-RBUKOAKNSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412107 948359465 /nfs/dbraw/zinc/35/94/65/948359465.db2.gz AGSYEOLVKZYVOU-RBUKOAKNSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129201 948504016 /nfs/dbraw/zinc/50/40/16/948504016.db2.gz JIFDFDKXIHGDPV-ZNNBYXKUSA-N 2 1 372.459 3.989 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129201 948504024 /nfs/dbraw/zinc/50/40/24/948504024.db2.gz JIFDFDKXIHGDPV-ZNNBYXKUSA-N 2 1 372.459 3.989 20 0 FHADMP C[NH+](C)Cc1cnc(CNc2ccc(CC[NH+]3CCCCC3)cc2)s1 ZINC000512133244 948513113 /nfs/dbraw/zinc/51/31/13/948513113.db2.gz UVMLIKUYQFMNNZ-UHFFFAOYSA-N 2 1 358.555 3.845 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005987 948548976 /nfs/dbraw/zinc/54/89/76/948548976.db2.gz LXYCOMUPURKJJA-IZZQQSIFSA-N 2 1 361.530 3.542 20 0 FHADMP c1ccc(CC2CC[NH+](CCCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247155752 948554322 /nfs/dbraw/zinc/55/43/22/948554322.db2.gz XMHCUKQOHFUEBE-RPWUZVMVSA-N 3 1 369.597 3.938 20 0 FHADMP C[C@@H]1CC([NH2+]Cc2ccc3c(c2)OCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006219 948560284 /nfs/dbraw/zinc/56/02/84/948560284.db2.gz MPJICTJJLJBSKP-IAGOWNOFSA-N 2 1 352.478 3.947 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185026321 948724559 /nfs/dbraw/zinc/72/45/59/948724559.db2.gz KNYNFUWCGBHEFX-QGZVFWFLSA-N 2 1 371.529 3.552 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008164 948737993 /nfs/dbraw/zinc/73/79/93/948737993.db2.gz WEDHYPRGCZKPIT-RMFSNUHRSA-N 2 1 366.505 3.989 20 0 FHADMP COc1ccc(COCCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711630 568137901 /nfs/dbraw/zinc/13/79/01/568137901.db2.gz DNZUUIOWOULHJD-CTNGQTDRSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000603711630 568137902 /nfs/dbraw/zinc/13/79/02/568137902.db2.gz DNZUUIOWOULHJD-CTNGQTDRSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000603711630 568137903 /nfs/dbraw/zinc/13/79/03/568137903.db2.gz DNZUUIOWOULHJD-CTNGQTDRSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711630 568137904 /nfs/dbraw/zinc/13/79/04/568137904.db2.gz DNZUUIOWOULHJD-CTNGQTDRSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711630 568137905 /nfs/dbraw/zinc/13/79/05/568137905.db2.gz DNZUUIOWOULHJD-CTNGQTDRSA-N 2 1 360.542 3.798 20 0 FHADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843042 568186090 /nfs/dbraw/zinc/18/60/90/568186090.db2.gz HMFLPKLLFJVWGQ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843042 568186091 /nfs/dbraw/zinc/18/60/91/568186091.db2.gz HMFLPKLLFJVWGQ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843042 568186092 /nfs/dbraw/zinc/18/60/92/568186092.db2.gz HMFLPKLLFJVWGQ-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604331337 568250932 /nfs/dbraw/zinc/25/09/32/568250932.db2.gz FYMZOYQVFZJKAE-TZIWHRDSSA-N 2 1 363.590 3.514 20 0 FHADMP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604331337 568250933 /nfs/dbraw/zinc/25/09/33/568250933.db2.gz FYMZOYQVFZJKAE-TZIWHRDSSA-N 2 1 363.590 3.514 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000604418124 568276242 /nfs/dbraw/zinc/27/62/42/568276242.db2.gz HVYGZBDZZBGYSD-YJBOKZPZSA-N 2 1 374.447 3.812 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1O ZINC000365246889 568358103 /nfs/dbraw/zinc/35/81/03/568358103.db2.gz JZBRZCSOWBDOEI-KRWDZBQOSA-N 2 1 369.509 3.684 20 0 FHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813053 720186052 /nfs/dbraw/zinc/18/60/52/720186052.db2.gz CDNICPMZQBLMLP-NFBKMPQASA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813053 720186054 /nfs/dbraw/zinc/18/60/54/720186054.db2.gz CDNICPMZQBLMLP-NFBKMPQASA-N 2 1 365.521 3.728 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]21 ZINC001165026584 721802149 /nfs/dbraw/zinc/80/21/49/721802149.db2.gz RHLZPJDUZKBEGD-OZOXKJRCSA-N 2 1 361.493 3.695 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001165025643 721826247 /nfs/dbraw/zinc/82/62/47/721826247.db2.gz NFDBMBIJAGCCTF-JBACZVJFSA-N 2 1 350.510 3.830 20 0 FHADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001164937017 721913299 /nfs/dbraw/zinc/91/32/99/721913299.db2.gz FQNLVIGMXNMTSN-HDICACEKSA-N 2 1 354.523 3.597 20 0 FHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2[nH+]ccc4[nH]ccc42)C3)c1 ZINC001164995489 722192800 /nfs/dbraw/zinc/19/28/00/722192800.db2.gz VFFWJPZCVYGLKA-OAQYLSRUSA-N 2 1 350.441 3.947 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000162250103 936367021 /nfs/dbraw/zinc/36/70/21/936367021.db2.gz AZYVSCMEOPFFSE-CQSZACIVSA-N 2 1 358.461 3.561 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019778 936375808 /nfs/dbraw/zinc/37/58/08/936375808.db2.gz HJUXRAKKNXAAHT-FUHWJXTLSA-N 2 1 370.459 3.983 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019778 936375811 /nfs/dbraw/zinc/37/58/11/936375811.db2.gz HJUXRAKKNXAAHT-FUHWJXTLSA-N 2 1 370.459 3.983 20 0 FHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772242 945069471 /nfs/dbraw/zinc/06/94/71/945069471.db2.gz UJZOIQUFTMNKBF-PZJWPPBQSA-N 2 1 371.569 3.668 20 0 FHADMP Cc1nc2ccccn2c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579696210 927111674 /nfs/dbraw/zinc/11/16/74/927111674.db2.gz HLQHYCGGEODTPC-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579696210 927111683 /nfs/dbraw/zinc/11/16/83/927111683.db2.gz HLQHYCGGEODTPC-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579696210 927111689 /nfs/dbraw/zinc/11/16/89/927111689.db2.gz HLQHYCGGEODTPC-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579696210 927111695 /nfs/dbraw/zinc/11/16/95/927111695.db2.gz HLQHYCGGEODTPC-LEWJYISDSA-N 2 1 360.505 3.597 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118773596 927431098 /nfs/dbraw/zinc/43/10/98/927431098.db2.gz SRMWQIXFZPTZGD-QGZVFWFLSA-N 2 1 371.525 3.736 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000123882845 937190727 /nfs/dbraw/zinc/19/07/27/937190727.db2.gz GUSMXVRREKJTBO-HNNXBMFYSA-N 2 1 374.916 3.694 20 0 FHADMP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229359 928392982 /nfs/dbraw/zinc/39/29/82/928392982.db2.gz GXFMEWWORSRHLH-UXHICEINSA-N 2 1 358.551 3.950 20 0 FHADMP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229359 928392996 /nfs/dbraw/zinc/39/29/96/928392996.db2.gz GXFMEWWORSRHLH-UXHICEINSA-N 2 1 358.551 3.950 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cc(F)ccc43)CC2)oc1C ZINC000162719821 937259398 /nfs/dbraw/zinc/25/93/98/937259398.db2.gz XBBJTPVBVFNTLT-HXUWFJFHSA-N 2 1 357.473 3.920 20 0 FHADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000583233315 937263878 /nfs/dbraw/zinc/26/38/78/937263878.db2.gz CSHSABHBJLDHRG-HXUWFJFHSA-N 2 1 355.530 3.611 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154467396 928845288 /nfs/dbraw/zinc/84/52/88/928845288.db2.gz MTDAIOYTPITXGE-IBGZPJMESA-N 2 1 365.949 3.561 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154495130 928860610 /nfs/dbraw/zinc/86/06/10/928860610.db2.gz UZKFYRZZBUDINL-ROUUACIJSA-N 2 1 374.598 3.796 20 0 FHADMP CC[N@@H+](C[C@H](O)c1ccccc1C)CC1CCN(c2ccccn2)CC1 ZINC000076108865 929320079 /nfs/dbraw/zinc/32/00/79/929320079.db2.gz ASINUGOMLRUQEM-NRFANRHFSA-N 2 1 353.510 3.662 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180135412 929391835 /nfs/dbraw/zinc/39/18/35/929391835.db2.gz AWNOLVIIXWZXGA-SVMVAKDDSA-N 2 1 372.532 3.996 20 0 FHADMP Fc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000657751292 937349165 /nfs/dbraw/zinc/34/91/65/937349165.db2.gz PCTURSZZQINCKH-INIZCTEOSA-N 2 1 360.498 3.897 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2Cc4ccccc4C2)C3)cc1 ZINC000683690409 929803055 /nfs/dbraw/zinc/80/30/55/929803055.db2.gz JWIDTRDSWPWNTD-BKFWDETESA-N 2 1 361.533 3.787 20 0 FHADMP FC(F)CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000683690685 929805907 /nfs/dbraw/zinc/80/59/07/929805907.db2.gz NXLRAFRFXFYERL-ACDBMABISA-N 2 1 363.496 3.501 20 0 FHADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691586 929809348 /nfs/dbraw/zinc/80/93/48/929809348.db2.gz ZMSOIZSJBMVYPS-KGSLCBSSSA-N 2 1 350.506 3.814 20 0 FHADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691586 929809353 /nfs/dbraw/zinc/80/93/53/929809353.db2.gz ZMSOIZSJBMVYPS-KGSLCBSSSA-N 2 1 350.506 3.814 20 0 FHADMP C[N@H+]1Cc2ccccc2[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692368 929811105 /nfs/dbraw/zinc/81/11/05/929811105.db2.gz PPWDIUCHOHHUDO-JTOYRKQZSA-N 2 1 361.533 3.958 20 0 FHADMP C[N@@H+]1Cc2ccccc2[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692368 929811108 /nfs/dbraw/zinc/81/11/08/929811108.db2.gz PPWDIUCHOHHUDO-JTOYRKQZSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692368 929811114 /nfs/dbraw/zinc/81/11/14/929811114.db2.gz PPWDIUCHOHHUDO-JTOYRKQZSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692368 929811115 /nfs/dbraw/zinc/81/11/15/929811115.db2.gz PPWDIUCHOHHUDO-JTOYRKQZSA-N 2 1 361.533 3.958 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC3 ZINC000123214682 929916763 /nfs/dbraw/zinc/91/67/63/929916763.db2.gz RDNSGEZKXRVZTF-DLBZAZTESA-N 2 1 355.526 3.744 20 0 FHADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000656127146 930303668 /nfs/dbraw/zinc/30/36/68/930303668.db2.gz PQDUCDFPYVNTGK-LSTHTHJFSA-N 2 1 362.477 3.756 20 0 FHADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325556 930505228 /nfs/dbraw/zinc/50/52/28/930505228.db2.gz QXWOGOGALNHBQA-WWNPGLIZSA-N 2 1 368.521 3.538 20 0 FHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325556 930505231 /nfs/dbraw/zinc/50/52/31/930505231.db2.gz QXWOGOGALNHBQA-WWNPGLIZSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325556 930505235 /nfs/dbraw/zinc/50/52/35/930505235.db2.gz QXWOGOGALNHBQA-WWNPGLIZSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325556 930505239 /nfs/dbraw/zinc/50/52/39/930505239.db2.gz QXWOGOGALNHBQA-WWNPGLIZSA-N 2 1 368.521 3.538 20 0 FHADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1Oc1ccccc1 ZINC000580338836 930524830 /nfs/dbraw/zinc/52/48/30/930524830.db2.gz CUBGTGKEIHKFGB-RTWAWAEBSA-N 2 1 372.553 3.857 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)n[nH]1 ZINC000275852347 930548337 /nfs/dbraw/zinc/54/83/37/930548337.db2.gz IEUPNXGBFFKROB-INIZCTEOSA-N 2 1 364.497 3.532 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125181704 930584181 /nfs/dbraw/zinc/58/41/81/930584181.db2.gz DBGBEQNCBPBNDT-FGSXEWAUSA-N 2 1 362.521 3.903 20 0 FHADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000580573962 930867559 /nfs/dbraw/zinc/86/75/59/930867559.db2.gz UXGYUSWBIWCXAH-OAQYLSRUSA-N 2 1 352.478 3.687 20 0 FHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000580588818 930895681 /nfs/dbraw/zinc/89/56/81/930895681.db2.gz VZWTYWUKEJMJAI-OAQYLSRUSA-N 2 1 350.466 3.559 20 0 FHADMP COc1ccc(COCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000684004633 930940777 /nfs/dbraw/zinc/94/07/77/930940777.db2.gz AGGNPONFFCQMBE-UHFFFAOYSA-N 2 1 369.509 3.624 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000047978675 930969543 /nfs/dbraw/zinc/96/95/43/930969543.db2.gz ZRLGNIVSWCFAOZ-UHFFFAOYSA-N 2 1 371.447 3.698 20 0 FHADMP C[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000580695724 931024420 /nfs/dbraw/zinc/02/44/20/931024420.db2.gz SVDLWQXOIDZMJT-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000580695724 931024428 /nfs/dbraw/zinc/02/44/28/931024428.db2.gz SVDLWQXOIDZMJT-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000580695724 931024434 /nfs/dbraw/zinc/02/44/34/931024434.db2.gz SVDLWQXOIDZMJT-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP CC1(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CCOCC1 ZINC001279474657 931315572 /nfs/dbraw/zinc/31/55/72/931315572.db2.gz QSPIIFRAINHPKW-CALCHBBNSA-N 2 1 362.480 3.789 20 0 FHADMP CC1(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)CCOCC1 ZINC001279474657 931315576 /nfs/dbraw/zinc/31/55/76/931315576.db2.gz QSPIIFRAINHPKW-CALCHBBNSA-N 2 1 362.480 3.789 20 0 FHADMP CC1(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)CCOCC1 ZINC001279474657 931315581 /nfs/dbraw/zinc/31/55/81/931315581.db2.gz QSPIIFRAINHPKW-CALCHBBNSA-N 2 1 362.480 3.789 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(SC(F)F)cc1 ZINC000160749713 931528198 /nfs/dbraw/zinc/52/81/98/931528198.db2.gz WXLUSMVSXUWLKX-GDBMZVCRSA-N 2 1 358.498 3.889 20 0 FHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000581103262 931569047 /nfs/dbraw/zinc/56/90/47/931569047.db2.gz NHJHTFAFMSGWPU-VMXMFDLUSA-N 2 1 364.574 3.569 20 0 FHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000581103159 931569831 /nfs/dbraw/zinc/56/98/31/931569831.db2.gz NHJHTFAFMSGWPU-MJUUVYJYSA-N 2 1 364.574 3.569 20 0 FHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000581103159 931569838 /nfs/dbraw/zinc/56/98/38/931569838.db2.gz NHJHTFAFMSGWPU-MJUUVYJYSA-N 2 1 364.574 3.569 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCCc3ccncc3)C2)cc1 ZINC000656403643 931592327 /nfs/dbraw/zinc/59/23/27/931592327.db2.gz BUAXKVMBZUCQNZ-ZJZGAYNASA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCCc3ccncc3)C2)cc1 ZINC000656403643 931592331 /nfs/dbraw/zinc/59/23/31/931592331.db2.gz BUAXKVMBZUCQNZ-ZJZGAYNASA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCCc3ccncc3)C2)cc1 ZINC000656403643 931592334 /nfs/dbraw/zinc/59/23/34/931592334.db2.gz BUAXKVMBZUCQNZ-ZJZGAYNASA-N 2 1 361.533 3.857 20 0 FHADMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000065976596 931673293 /nfs/dbraw/zinc/67/32/93/931673293.db2.gz MWPZOVMRXDBOPR-UHFFFAOYSA-N 2 1 372.509 3.842 20 0 FHADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2)c1 ZINC000581207098 931675090 /nfs/dbraw/zinc/67/50/90/931675090.db2.gz YNOFYAACSRBXRM-NJDAHSKKSA-N 2 1 367.493 3.845 20 0 FHADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548155923 931692779 /nfs/dbraw/zinc/69/27/79/931692779.db2.gz JWKKYRVWVHBIEF-GHTZIAJQSA-N 2 1 353.510 3.869 20 0 FHADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548155925 931692996 /nfs/dbraw/zinc/69/29/96/931692996.db2.gz JWKKYRVWVHBIEF-RXVVDRJESA-N 2 1 353.510 3.869 20 0 FHADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000581243363 931729642 /nfs/dbraw/zinc/72/96/42/931729642.db2.gz DDZBYJWVFPBOGN-RDTXWAMCSA-N 2 1 374.916 3.839 20 0 FHADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000067667280 931800348 /nfs/dbraw/zinc/80/03/48/931800348.db2.gz MXPYRCFQCWFTBC-UHFFFAOYSA-N 2 1 364.415 3.608 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569247 931905849 /nfs/dbraw/zinc/90/58/49/931905849.db2.gz HFTASEGPTCIBKM-MSOLQXFVSA-N 2 1 367.493 3.867 20 0 FHADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000430578246 931941006 /nfs/dbraw/zinc/94/10/06/931941006.db2.gz WFXBMOCZAKXLOE-NRFANRHFSA-N 2 1 353.466 3.525 20 0 FHADMP COc1ccc(Br)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000088164703 932195686 /nfs/dbraw/zinc/19/56/86/932195686.db2.gz OVEGARLQPTXJBS-GOOCMWNKSA-N 2 1 353.304 3.563 20 0 FHADMP COc1ccc(Br)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088164703 932195705 /nfs/dbraw/zinc/19/57/05/932195705.db2.gz OVEGARLQPTXJBS-GOOCMWNKSA-N 2 1 353.304 3.563 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccs2)c1)C1CCOCC1 ZINC000076399895 932377119 /nfs/dbraw/zinc/37/71/19/932377119.db2.gz KGIAFFLLBUCZDF-UHFFFAOYSA-N 2 1 360.523 3.528 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785994 932418617 /nfs/dbraw/zinc/41/86/17/932418617.db2.gz PGVZHYIGTDTWMK-GOSISDBHSA-N 2 1 371.550 3.934 20 0 FHADMP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000647173848 932513425 /nfs/dbraw/zinc/51/34/25/932513425.db2.gz BSKWULXYHXILGY-UHFFFAOYSA-N 2 1 354.498 3.540 20 0 FHADMP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000647173848 932513429 /nfs/dbraw/zinc/51/34/29/932513429.db2.gz BSKWULXYHXILGY-UHFFFAOYSA-N 2 1 354.498 3.540 20 0 FHADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684394290 932528357 /nfs/dbraw/zinc/52/83/57/932528357.db2.gz GWPLRPWCSOTRBH-ILWGZMRPSA-N 2 1 352.526 3.854 20 0 FHADMP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000154947975 932555625 /nfs/dbraw/zinc/55/56/25/932555625.db2.gz DVURFFLGFNXMNE-UHFFFAOYSA-N 2 1 371.447 3.909 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000581882759 932830948 /nfs/dbraw/zinc/83/09/48/932830948.db2.gz NEWCPOJZZCLEIH-ZACQAIPSSA-N 2 1 367.493 3.568 20 0 FHADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000471777471 932881947 /nfs/dbraw/zinc/88/19/47/932881947.db2.gz AIMCAMZPYPNITK-OAQYLSRUSA-N 2 1 353.441 3.684 20 0 FHADMP CC(C)([NH3+])CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000648159484 932969326 /nfs/dbraw/zinc/96/93/26/932969326.db2.gz MYQBBUCPPOBWQX-UHFFFAOYSA-N 2 1 372.340 3.592 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000157662937 933005400 /nfs/dbraw/zinc/00/54/00/933005400.db2.gz LSWJIGFHYGURCT-QGZVFWFLSA-N 2 1 365.512 3.880 20 0 FHADMP CCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000261764837 933028551 /nfs/dbraw/zinc/02/85/51/933028551.db2.gz QFULYPMTGHYALE-UHFFFAOYSA-N 2 1 358.313 3.786 20 0 FHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000581941738 933090273 /nfs/dbraw/zinc/09/02/73/933090273.db2.gz BKVUDVBSMZTHPW-YZGWKJHDSA-N 2 1 359.558 3.522 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000430761325 933215442 /nfs/dbraw/zinc/21/54/42/933215442.db2.gz VMWZMEUSTVHZON-NRFANRHFSA-N 2 1 367.493 3.566 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388763 933292478 /nfs/dbraw/zinc/29/24/78/933292478.db2.gz TUMXTJPSFCXYSV-PMACEKPBSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548388763 933292488 /nfs/dbraw/zinc/29/24/88/933292488.db2.gz TUMXTJPSFCXYSV-PMACEKPBSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548388763 933292493 /nfs/dbraw/zinc/29/24/93/933292493.db2.gz TUMXTJPSFCXYSV-PMACEKPBSA-N 2 1 363.590 3.754 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)CCc3c(F)cccc3F)CC2)nc(C)[nH+]1 ZINC000510662928 933387841 /nfs/dbraw/zinc/38/78/41/933387841.db2.gz INOASGSASITQJS-CQSZACIVSA-N 2 1 374.479 3.951 20 0 FHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000430920427 933419016 /nfs/dbraw/zinc/41/90/16/933419016.db2.gz OQOSHQUGXWCZLK-SNVBAGLBSA-N 2 1 363.246 3.610 20 0 FHADMP CC(C)[N@@H+](C)CC1CCN(Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000548404406 933457136 /nfs/dbraw/zinc/45/71/36/933457136.db2.gz DFYUYTGVEGIGFF-UHFFFAOYSA-N 2 1 364.440 3.567 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000610658746 933664515 /nfs/dbraw/zinc/66/45/15/933664515.db2.gz UQMYKOPMLQLFOP-CVBYOTHMSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000610658746 933664528 /nfs/dbraw/zinc/66/45/28/933664528.db2.gz UQMYKOPMLQLFOP-CVBYOTHMSA-N 2 1 356.535 3.567 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510834065 933829131 /nfs/dbraw/zinc/82/91/31/933829131.db2.gz AFVURWMHHWEKSD-IBGZPJMESA-N 2 1 371.569 3.913 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510834065 933829136 /nfs/dbraw/zinc/82/91/36/933829136.db2.gz AFVURWMHHWEKSD-IBGZPJMESA-N 2 1 371.569 3.913 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510834065 933829141 /nfs/dbraw/zinc/82/91/41/933829141.db2.gz AFVURWMHHWEKSD-IBGZPJMESA-N 2 1 371.569 3.913 20 0 FHADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000131452049 933863692 /nfs/dbraw/zinc/86/36/92/933863692.db2.gz DAMXHVBXOMJOLS-QFIPXVFZSA-N 2 1 356.485 3.810 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000548449886 933893307 /nfs/dbraw/zinc/89/33/07/933893307.db2.gz QITAXPYUXQDHLI-ZWKOTPCHSA-N 2 1 359.558 3.701 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000548449485 933895694 /nfs/dbraw/zinc/89/56/94/933895694.db2.gz JMENDGFONIYMKI-QZTJIDSGSA-N 2 1 359.558 3.844 20 0 FHADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253722 933965344 /nfs/dbraw/zinc/96/53/44/933965344.db2.gz WCNFHSCJTLPNMO-INIZCTEOSA-N 2 1 374.447 3.800 20 0 FHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253722 933965363 /nfs/dbraw/zinc/96/53/63/933965363.db2.gz WCNFHSCJTLPNMO-INIZCTEOSA-N 2 1 374.447 3.800 20 0 FHADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253722 933965371 /nfs/dbraw/zinc/96/53/71/933965371.db2.gz WCNFHSCJTLPNMO-INIZCTEOSA-N 2 1 374.447 3.800 20 0 FHADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253722 933965381 /nfs/dbraw/zinc/96/53/81/933965381.db2.gz WCNFHSCJTLPNMO-INIZCTEOSA-N 2 1 374.447 3.800 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253519 933965509 /nfs/dbraw/zinc/96/55/09/933965509.db2.gz YWHXJAGXJUBFEN-HNNXBMFYSA-N 2 1 354.922 3.911 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253519 933965516 /nfs/dbraw/zinc/96/55/16/933965516.db2.gz YWHXJAGXJUBFEN-HNNXBMFYSA-N 2 1 354.922 3.911 20 0 FHADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253519 933965524 /nfs/dbraw/zinc/96/55/24/933965524.db2.gz YWHXJAGXJUBFEN-HNNXBMFYSA-N 2 1 354.922 3.911 20 0 FHADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253519 933965527 /nfs/dbraw/zinc/96/55/27/933965527.db2.gz YWHXJAGXJUBFEN-HNNXBMFYSA-N 2 1 354.922 3.911 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380427421 934136663 /nfs/dbraw/zinc/13/66/63/934136663.db2.gz JJERJVOOZQIRIG-APWZRJJASA-N 2 1 370.468 3.613 20 0 FHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000510953463 934219115 /nfs/dbraw/zinc/21/91/15/934219115.db2.gz VDPLUSTZSUGRIO-MRXNPFEDSA-N 2 1 371.491 3.642 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960856 934227807 /nfs/dbraw/zinc/22/78/07/934227807.db2.gz KSCCOCAEHPGKLK-KBXCAEBGSA-N 2 1 367.331 3.527 20 0 FHADMP Clc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)o2)cc1 ZINC000535783212 934371690 /nfs/dbraw/zinc/37/16/90/934371690.db2.gz KQDJRURMQPZTJU-UHFFFAOYSA-N 2 1 373.928 3.813 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@H](C)O1 ZINC000535827852 934528336 /nfs/dbraw/zinc/52/83/36/934528336.db2.gz CEJQCTKAHQORGF-HDICACEKSA-N 2 1 353.510 3.556 20 0 FHADMP C[NH+](CCc1ccncc1)Cc1cccc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000181482883 934709836 /nfs/dbraw/zinc/70/98/36/934709836.db2.gz AIQPQYOXYJWGQB-UHFFFAOYSA-N 2 1 374.532 3.826 20 0 FHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OCC(F)(F)F ZINC000101591877 934843584 /nfs/dbraw/zinc/84/35/84/934843584.db2.gz MODNSPSXQAFNJF-OAHLLOKOSA-N 2 1 372.431 3.600 20 0 FHADMP CO[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504417 934870994 /nfs/dbraw/zinc/87/09/94/934870994.db2.gz LFQCIZJMOAYQKE-UGKGYDQZSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504417 934871000 /nfs/dbraw/zinc/87/10/00/934871000.db2.gz LFQCIZJMOAYQKE-UGKGYDQZSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504417 934871007 /nfs/dbraw/zinc/87/10/07/934871007.db2.gz LFQCIZJMOAYQKE-UGKGYDQZSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504417 934871014 /nfs/dbraw/zinc/87/10/14/934871014.db2.gz LFQCIZJMOAYQKE-UGKGYDQZSA-N 2 1 356.485 3.967 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010239 934877369 /nfs/dbraw/zinc/87/73/69/934877369.db2.gz ISONCKJRHYYVLX-RXVVDRJESA-N 2 1 367.537 3.912 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010239 934877372 /nfs/dbraw/zinc/87/73/72/934877372.db2.gz ISONCKJRHYYVLX-RXVVDRJESA-N 2 1 367.537 3.912 20 0 FHADMP CC[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000511027389 934956293 /nfs/dbraw/zinc/95/62/93/934956293.db2.gz DNAMGQABTBCKDR-UHFFFAOYSA-N 2 1 365.521 3.533 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000511032973 934974986 /nfs/dbraw/zinc/97/49/86/934974986.db2.gz PITSWESPELWPAR-INIZCTEOSA-N 2 1 364.287 3.848 20 0 FHADMP CC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511038149 935012174 /nfs/dbraw/zinc/01/21/74/935012174.db2.gz NVEIQEHCCALSNQ-BJKOFHAPSA-N 2 1 363.549 3.729 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)cc1 ZINC000511043928 935034993 /nfs/dbraw/zinc/03/49/93/935034993.db2.gz ABDHWCASGNDIQU-JOCHJYFZSA-N 2 1 350.506 3.677 20 0 FHADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1Br ZINC000058124017 935040501 /nfs/dbraw/zinc/04/05/01/935040501.db2.gz HWLRXQBQMSSMOQ-UHFFFAOYSA-N 2 1 355.295 3.896 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000071954580 935079073 /nfs/dbraw/zinc/07/90/73/935079073.db2.gz QUDWFACNQNGSSI-UHFFFAOYSA-N 2 1 351.922 3.722 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000071954580 935079078 /nfs/dbraw/zinc/07/90/78/935079078.db2.gz QUDWFACNQNGSSI-UHFFFAOYSA-N 2 1 351.922 3.722 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000375662007 935132135 /nfs/dbraw/zinc/13/21/35/935132135.db2.gz WYJDZGIWDTULQS-WMZOPIPTSA-N 2 1 364.415 3.608 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000375662007 935132142 /nfs/dbraw/zinc/13/21/42/935132142.db2.gz WYJDZGIWDTULQS-WMZOPIPTSA-N 2 1 364.415 3.608 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1)C1CC1 ZINC000511063864 935200447 /nfs/dbraw/zinc/20/04/47/935200447.db2.gz LWTFTKDBVQRXBD-LJQANCHMSA-N 2 1 371.550 3.765 20 0 FHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000518152298 945087921 /nfs/dbraw/zinc/08/79/21/945087921.db2.gz BZNNYBIGQQHVPP-VQIMIIECSA-N 2 1 366.933 3.718 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000518152298 945087933 /nfs/dbraw/zinc/08/79/33/945087933.db2.gz BZNNYBIGQQHVPP-VQIMIIECSA-N 2 1 366.933 3.718 20 0 FHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000563245643 935250245 /nfs/dbraw/zinc/25/02/45/935250245.db2.gz VQEAWCLNCUWIJS-TZIWHRDSSA-N 2 1 354.494 3.671 20 0 FHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000563245643 935250250 /nfs/dbraw/zinc/25/02/50/935250250.db2.gz VQEAWCLNCUWIJS-TZIWHRDSSA-N 2 1 354.494 3.671 20 0 FHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657337182 935260882 /nfs/dbraw/zinc/26/08/82/935260882.db2.gz LMDPKWQAZACPTQ-UHFFFAOYSA-N 2 1 358.457 3.597 20 0 FHADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554330 935389599 /nfs/dbraw/zinc/38/95/99/935389599.db2.gz NVBZDUAEWFQHSM-GOTSBHOMSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554330 935389603 /nfs/dbraw/zinc/38/96/03/935389603.db2.gz NVBZDUAEWFQHSM-GOTSBHOMSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554330 935389609 /nfs/dbraw/zinc/38/96/09/935389609.db2.gz NVBZDUAEWFQHSM-GOTSBHOMSA-N 2 1 356.554 3.916 20 0 FHADMP CCC[N@@H+](C)C[C@@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167559162 935466699 /nfs/dbraw/zinc/46/66/99/935466699.db2.gz YLYSWIDFFQIXFS-DEOSSOPVSA-N 2 1 371.613 3.995 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268208 935470376 /nfs/dbraw/zinc/47/03/76/935470376.db2.gz CNKSELKMSORUGJ-ROUUACIJSA-N 2 1 372.475 3.637 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268208 935470380 /nfs/dbraw/zinc/47/03/80/935470380.db2.gz CNKSELKMSORUGJ-ROUUACIJSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268208 935470382 /nfs/dbraw/zinc/47/03/82/935470382.db2.gz CNKSELKMSORUGJ-ROUUACIJSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268208 935470385 /nfs/dbraw/zinc/47/03/85/935470385.db2.gz CNKSELKMSORUGJ-ROUUACIJSA-N 2 1 372.475 3.637 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1)c1ccccc1Cl ZINC000427120240 945106362 /nfs/dbraw/zinc/10/63/62/945106362.db2.gz AUHKHWUSEGKKAU-UZLBHIALSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1)c1ccccc1Cl ZINC000427120240 945106367 /nfs/dbraw/zinc/10/63/67/945106367.db2.gz AUHKHWUSEGKKAU-UZLBHIALSA-N 2 1 369.896 3.776 20 0 FHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)oc21 ZINC000657400066 935563607 /nfs/dbraw/zinc/56/36/07/935563607.db2.gz LCUDXJRREFAPQW-NHCUHLMSSA-N 2 1 356.510 3.853 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000110916477 935653035 /nfs/dbraw/zinc/65/30/35/935653035.db2.gz CMPDRIUCILJNKN-UHFFFAOYSA-N 2 1 366.465 3.674 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000110916477 935653039 /nfs/dbraw/zinc/65/30/39/935653039.db2.gz CMPDRIUCILJNKN-UHFFFAOYSA-N 2 1 366.465 3.674 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000110916477 935653041 /nfs/dbraw/zinc/65/30/41/935653041.db2.gz CMPDRIUCILJNKN-UHFFFAOYSA-N 2 1 366.465 3.674 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430243 935702116 /nfs/dbraw/zinc/70/21/16/935702116.db2.gz PCIQZDQZHCRENP-LQBOVUBWSA-N 2 1 358.526 3.597 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127129 945118176 /nfs/dbraw/zinc/11/81/76/945118176.db2.gz CTTBPJZGBHBEQO-FXAWDEMLSA-N 2 1 352.478 3.555 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127129 945118187 /nfs/dbraw/zinc/11/81/87/945118187.db2.gz CTTBPJZGBHBEQO-FXAWDEMLSA-N 2 1 352.478 3.555 20 0 FHADMP Cc1cc(F)ccc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000509567537 945120332 /nfs/dbraw/zinc/12/03/32/945120332.db2.gz DWHNBIHTCPLWSE-JOCHJYFZSA-N 2 1 355.501 3.603 20 0 FHADMP Cc1ccc2cc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)[nH]c2c1 ZINC000657446744 935781019 /nfs/dbraw/zinc/78/10/19/935781019.db2.gz KRAWDESMAPJTEM-QFIPXVFZSA-N 2 1 363.505 3.857 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000159240161 935819305 /nfs/dbraw/zinc/81/93/05/935819305.db2.gz RHMNWVSGWRMOPP-INIZCTEOSA-N 2 1 369.484 3.752 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586397 935849101 /nfs/dbraw/zinc/84/91/01/935849101.db2.gz MINCXZMSQLQKRO-ITQYTPKQSA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586397 935849105 /nfs/dbraw/zinc/84/91/05/935849105.db2.gz MINCXZMSQLQKRO-ITQYTPKQSA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586397 935849109 /nfs/dbraw/zinc/84/91/09/935849109.db2.gz MINCXZMSQLQKRO-ITQYTPKQSA-N 2 1 370.459 3.973 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000427152423 945138085 /nfs/dbraw/zinc/13/80/85/945138085.db2.gz JKTLFRVMOWGCLD-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000427152423 945138090 /nfs/dbraw/zinc/13/80/90/945138090.db2.gz JKTLFRVMOWGCLD-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657572051 936041042 /nfs/dbraw/zinc/04/10/42/936041042.db2.gz GBQWXJWBTYYBJW-DENIHFKCSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000657572051 936041045 /nfs/dbraw/zinc/04/10/45/936041045.db2.gz GBQWXJWBTYYBJW-DENIHFKCSA-N 2 1 364.537 3.825 20 0 FHADMP Cc1cccc(NC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)[nH+]1 ZINC000077316858 936044916 /nfs/dbraw/zinc/04/49/16/936044916.db2.gz JZHXXIIDLNQROA-UHFFFAOYSA-N 2 1 363.465 3.559 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)cc2)C1 ZINC000657594550 936074305 /nfs/dbraw/zinc/07/43/05/936074305.db2.gz BJPCIJKNEWWHPF-YTFSRNRJSA-N 2 1 350.506 3.679 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3Cl)cc2)C1 ZINC000657595315 936075326 /nfs/dbraw/zinc/07/53/26/936075326.db2.gz OOIAYAVUHXFLOT-QGZVFWFLSA-N 2 1 365.304 3.850 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cc2)C1 ZINC000657595385 936075463 /nfs/dbraw/zinc/07/54/63/936075463.db2.gz HTTIWJZIVWUOCJ-INIZCTEOSA-N 2 1 370.440 3.623 20 0 FHADMP CCCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000657597626 936081113 /nfs/dbraw/zinc/08/11/13/936081113.db2.gz VWBADVKEVFEAPD-QFIPXVFZSA-N 2 1 368.521 3.640 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CSC2 ZINC000657641682 936136936 /nfs/dbraw/zinc/13/69/36/936136936.db2.gz JNCYUNINDBCWDL-YQQAZPJKSA-N 2 1 367.356 3.953 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CSC2 ZINC000657641682 936136941 /nfs/dbraw/zinc/13/69/41/936136941.db2.gz JNCYUNINDBCWDL-YQQAZPJKSA-N 2 1 367.356 3.953 20 0 FHADMP CCc1cc2c(ncnc2NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000078457674 936166550 /nfs/dbraw/zinc/16/65/50/936166550.db2.gz KJWJMHMEAWTMLK-UHFFFAOYSA-N 2 1 373.570 3.616 20 0 FHADMP COCCc1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631089246 936191350 /nfs/dbraw/zinc/19/13/50/936191350.db2.gz ATJIDOPXYIODMH-IAGOWNOFSA-N 2 1 373.566 3.578 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000657687303 936249799 /nfs/dbraw/zinc/24/97/99/936249799.db2.gz HAFXFCHOGFFVRF-RLLPEYFOSA-N 2 1 366.553 3.774 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000657687303 936249801 /nfs/dbraw/zinc/24/98/01/936249801.db2.gz HAFXFCHOGFFVRF-RLLPEYFOSA-N 2 1 366.553 3.774 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338842 938249310 /nfs/dbraw/zinc/24/93/10/938249310.db2.gz ZWQZNDNEUYLUAU-VGOFRKELSA-N 2 1 351.494 3.788 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338842 938249311 /nfs/dbraw/zinc/24/93/11/938249311.db2.gz ZWQZNDNEUYLUAU-VGOFRKELSA-N 2 1 351.494 3.788 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000127277998 938261994 /nfs/dbraw/zinc/26/19/94/938261994.db2.gz CEDANSDXTRZSSY-OAQYLSRUSA-N 2 1 360.517 3.914 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000650705980 938284537 /nfs/dbraw/zinc/28/45/37/938284537.db2.gz BKESZVPBYVNSMC-KNKQGSTJSA-N 2 1 358.526 3.726 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000650706182 938285202 /nfs/dbraw/zinc/28/52/02/938285202.db2.gz FSRAYBFBFWSVAJ-ZHALLVOQSA-N 2 1 357.523 3.528 20 0 FHADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707851 938287581 /nfs/dbraw/zinc/28/75/81/938287581.db2.gz OEHWSBWNNURDAN-JDFRZJQESA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707976 938287752 /nfs/dbraw/zinc/28/77/52/938287752.db2.gz RAORBGYOMHNWHY-XYPHTWIQSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708151 938287931 /nfs/dbraw/zinc/28/79/31/938287931.db2.gz UJUIIMUFPDVXQZ-LZWOXQAQSA-N 2 1 363.552 3.590 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292055 938300584 /nfs/dbraw/zinc/30/05/84/938300584.db2.gz KQYQISUJFQVTAQ-IEBWSBKVSA-N 2 1 357.498 3.835 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564157 938305454 /nfs/dbraw/zinc/30/54/54/938305454.db2.gz BYJWXQBVGKRGSI-FQEVSTJZSA-N 2 1 360.505 3.892 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564157 938305455 /nfs/dbraw/zinc/30/54/55/938305455.db2.gz BYJWXQBVGKRGSI-FQEVSTJZSA-N 2 1 360.505 3.892 20 0 FHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000583565311 938306688 /nfs/dbraw/zinc/30/66/88/938306688.db2.gz ZKBGCEILPABFQO-LJQANCHMSA-N 2 1 354.498 3.682 20 0 FHADMP CC(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722409 938309622 /nfs/dbraw/zinc/30/96/22/938309622.db2.gz RYXIFIILWLYYQE-KSEOMHKRSA-N 2 1 360.542 3.972 20 0 FHADMP Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724035 938311161 /nfs/dbraw/zinc/31/11/61/938311161.db2.gz XKNFJBIDGRZTTH-KZNAEPCWSA-N 2 1 367.331 3.618 20 0 FHADMP Cc1ccc(-c2cccc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)c2)cc1 ZINC000583592041 938311231 /nfs/dbraw/zinc/31/12/31/938311231.db2.gz PPNUSIGANIDMCJ-UHFFFAOYSA-N 2 1 351.538 3.731 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C(F)(F)F ZINC000650725282 938313586 /nfs/dbraw/zinc/31/35/86/938313586.db2.gz XLHNRRUSLYGPMC-JQHSSLGASA-N 2 1 356.432 3.875 20 0 FHADMP c1ccc(C[NH+]2C[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317471 /nfs/dbraw/zinc/31/74/71/938317471.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317473 /nfs/dbraw/zinc/31/74/73/938317473.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317474 /nfs/dbraw/zinc/31/74/74/938317474.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317476 /nfs/dbraw/zinc/31/74/76/938317476.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317478 /nfs/dbraw/zinc/31/74/78/938317478.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317479 /nfs/dbraw/zinc/31/74/79/938317479.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317481 /nfs/dbraw/zinc/31/74/81/938317481.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 3 1 353.554 3.505 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000126931085 938329226 /nfs/dbraw/zinc/32/92/26/938329226.db2.gz XXZUWFFGBMPTHR-UZLBHIALSA-N 2 1 366.509 3.622 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000728571809 938332773 /nfs/dbraw/zinc/33/27/73/938332773.db2.gz LINGVSXQIHAASO-SFHVURJKSA-N 2 1 358.448 3.791 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657778520 938337762 /nfs/dbraw/zinc/33/77/62/938337762.db2.gz QPEGMBAIMNILMP-KURKYZTESA-N 2 1 351.332 3.987 20 0 FHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(I)c(C)c2)CC1 ZINC000467378812 945167372 /nfs/dbraw/zinc/16/73/72/945167372.db2.gz XRIQQQMCVFQXPA-UHFFFAOYSA-N 2 1 372.294 3.564 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CC[N@@H+]1C ZINC000161877055 938402217 /nfs/dbraw/zinc/40/22/17/938402217.db2.gz MCMXBINKSQXFAZ-NXHRZFHOSA-N 2 1 353.551 3.532 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CC[N@H+]1C ZINC000161877055 938402219 /nfs/dbraw/zinc/40/22/19/938402219.db2.gz MCMXBINKSQXFAZ-NXHRZFHOSA-N 2 1 353.551 3.532 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899941 945177592 /nfs/dbraw/zinc/17/75/92/945177592.db2.gz CVXGXXNYFSQGSD-FQEVSTJZSA-N 2 1 360.933 3.681 20 0 FHADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000650754473 938408222 /nfs/dbraw/zinc/40/82/22/938408222.db2.gz JVJLMJUFZQIECW-QZNHQXDQSA-N 2 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000650754473 938408223 /nfs/dbraw/zinc/40/82/23/938408223.db2.gz JVJLMJUFZQIECW-QZNHQXDQSA-N 3 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000650754473 938408225 /nfs/dbraw/zinc/40/82/25/938408225.db2.gz JVJLMJUFZQIECW-QZNHQXDQSA-N 3 1 367.512 3.675 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000650757837 938423087 /nfs/dbraw/zinc/42/30/87/938423087.db2.gz BYIYDKBOVKYUPP-AWEZNQCLSA-N 2 1 369.900 3.799 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000583985616 938519205 /nfs/dbraw/zinc/51/92/05/938519205.db2.gz ILXGKWQRDBTMEK-ACRUOGEOSA-N 2 1 351.494 3.623 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278588931 938561545 /nfs/dbraw/zinc/56/15/45/938561545.db2.gz QJXPBMMKJWCGSK-JKSUJKDBSA-N 2 1 374.554 3.665 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278588931 938561547 /nfs/dbraw/zinc/56/15/47/938561547.db2.gz QJXPBMMKJWCGSK-JKSUJKDBSA-N 2 1 374.554 3.665 20 0 FHADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584118209 938604823 /nfs/dbraw/zinc/60/48/23/938604823.db2.gz MPMOZPLNNQRKPR-LJQANCHMSA-N 2 1 352.453 3.566 20 0 FHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(Cl)cs2)c2cccs2)CC1 ZINC000574893077 938652801 /nfs/dbraw/zinc/65/28/01/938652801.db2.gz XXECBKULHUSUTP-OAHLLOKOSA-N 2 1 355.960 3.541 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000657839299 938691608 /nfs/dbraw/zinc/69/16/08/938691608.db2.gz RAMCCJOFKNQLHL-UEXGIBASSA-N 2 1 352.526 3.986 20 0 FHADMP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000708503661 938692839 /nfs/dbraw/zinc/69/28/39/938692839.db2.gz KAHQNOBANSBBMF-WIYYLYMNSA-N 2 1 368.521 3.952 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083169900 938815981 /nfs/dbraw/zinc/81/59/81/938815981.db2.gz NYJGCVJTNOBSOC-UHFFFAOYSA-N 2 1 371.447 3.839 20 0 FHADMP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090708796 938881922 /nfs/dbraw/zinc/88/19/22/938881922.db2.gz JJJDXXCTNGHUTH-MJGOQNOKSA-N 2 1 370.566 3.612 20 0 FHADMP COc1cccc(COCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090806946 938882803 /nfs/dbraw/zinc/88/28/03/938882803.db2.gz LFOGMDNHEFGBLO-UHFFFAOYSA-N 2 1 368.521 3.509 20 0 FHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000657874147 938964094 /nfs/dbraw/zinc/96/40/94/938964094.db2.gz RAEJDDSGPRDEIV-LJQANCHMSA-N 2 1 350.934 3.896 20 0 FHADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2cc3ccccc3o2)n1 ZINC000685443800 938987029 /nfs/dbraw/zinc/98/70/29/938987029.db2.gz GCMYAPWYJGPPEZ-DFNIBXOVSA-N 2 1 364.493 3.890 20 0 FHADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2cc3ccccc3o2)n1 ZINC000685443800 938987030 /nfs/dbraw/zinc/98/70/30/938987030.db2.gz GCMYAPWYJGPPEZ-DFNIBXOVSA-N 2 1 364.493 3.890 20 0 FHADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2cc3ccccc3o2)n1 ZINC000685443800 938987031 /nfs/dbraw/zinc/98/70/31/938987031.db2.gz GCMYAPWYJGPPEZ-DFNIBXOVSA-N 2 1 364.493 3.890 20 0 FHADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2cc3ccccc3o2)n1 ZINC000685443800 938987032 /nfs/dbraw/zinc/98/70/32/938987032.db2.gz GCMYAPWYJGPPEZ-DFNIBXOVSA-N 2 1 364.493 3.890 20 0 FHADMP c1cncc(C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)c1 ZINC000685466718 938989079 /nfs/dbraw/zinc/98/90/79/938989079.db2.gz HBXSNKYOXTXYMW-UHFFFAOYSA-N 2 1 351.494 3.721 20 0 FHADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000093078816 938992387 /nfs/dbraw/zinc/99/23/87/938992387.db2.gz LLJMKJXLBZJSFT-UHFFFAOYSA-N 2 1 352.526 3.974 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080338391 939000358 /nfs/dbraw/zinc/00/03/58/939000358.db2.gz LBAUPVARURNKNY-GHTZIAJQSA-N 2 1 371.569 3.666 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080338391 939000359 /nfs/dbraw/zinc/00/03/59/939000359.db2.gz LBAUPVARURNKNY-GHTZIAJQSA-N 2 1 371.569 3.666 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080338386 939000391 /nfs/dbraw/zinc/00/03/91/939000391.db2.gz LBAUPVARURNKNY-WIYYLYMNSA-N 2 1 371.569 3.666 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080338386 939000392 /nfs/dbraw/zinc/00/03/92/939000392.db2.gz LBAUPVARURNKNY-WIYYLYMNSA-N 2 1 371.569 3.666 20 0 FHADMP Cc1ccc(CN2CCCC3(CCC[N@@H+](Cc4ccc(C)cn4)C3)C2)nc1 ZINC000685593229 939003127 /nfs/dbraw/zinc/00/31/27/939003127.db2.gz VSDNVMZISUHISF-UHFFFAOYSA-N 2 1 364.537 3.972 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000685665665 939010608 /nfs/dbraw/zinc/01/06/08/939010608.db2.gz ZCJIAGAJQWCHLI-JOCHJYFZSA-N 2 1 368.496 3.734 20 0 FHADMP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1)c1ccccc1 ZINC000657974570 939014896 /nfs/dbraw/zinc/01/48/96/939014896.db2.gz QSFKJCSKJAHFNF-NJNPRVFISA-N 2 1 354.494 3.544 20 0 FHADMP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000657974570 939014897 /nfs/dbraw/zinc/01/48/97/939014897.db2.gz QSFKJCSKJAHFNF-NJNPRVFISA-N 2 1 354.494 3.544 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596853 939015804 /nfs/dbraw/zinc/01/58/04/939015804.db2.gz HYGHTAGFCXMNEJ-IBGZPJMESA-N 2 1 352.526 3.913 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596853 939015805 /nfs/dbraw/zinc/01/58/05/939015805.db2.gz HYGHTAGFCXMNEJ-IBGZPJMESA-N 2 1 352.526 3.913 20 0 FHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C(F)F)nc1 ZINC000658014501 939018197 /nfs/dbraw/zinc/01/81/97/939018197.db2.gz VZQWTPOEEPXWSJ-CQSZACIVSA-N 2 1 364.440 3.596 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000658002427 939018429 /nfs/dbraw/zinc/01/84/29/939018429.db2.gz CJFUMCZPJIHQMO-FCHUYYIVSA-N 2 1 374.569 3.708 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000658002427 939018430 /nfs/dbraw/zinc/01/84/30/939018430.db2.gz CJFUMCZPJIHQMO-FCHUYYIVSA-N 2 1 374.569 3.708 20 0 FHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658136505 939031077 /nfs/dbraw/zinc/03/10/77/939031077.db2.gz DHIHTAPXIFMGEA-DENIHFKCSA-N 2 1 350.506 3.765 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141446 939035131 /nfs/dbraw/zinc/03/51/31/939035131.db2.gz XDBNFHSIPFIOIH-IRLDBZIGSA-N 2 1 368.521 3.811 20 0 FHADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000658142147 939035574 /nfs/dbraw/zinc/03/55/74/939035574.db2.gz VCFULSFEYPPMAE-BEFAXECRSA-N 2 1 374.525 3.965 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142222 939036233 /nfs/dbraw/zinc/03/62/33/939036233.db2.gz DNQOUMDXGSQJNA-UYAOXDASSA-N 2 1 354.519 3.580 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137606 939040508 /nfs/dbraw/zinc/04/05/08/939040508.db2.gz KMWQNPLHTMWVSD-UPVQGACJSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137606 939040512 /nfs/dbraw/zinc/04/05/12/939040512.db2.gz KMWQNPLHTMWVSD-UPVQGACJSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137606 939040514 /nfs/dbraw/zinc/04/05/14/939040514.db2.gz KMWQNPLHTMWVSD-UPVQGACJSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137840 939040768 /nfs/dbraw/zinc/04/07/68/939040768.db2.gz IMUZXFQVSQXJDK-UYAOXDASSA-N 2 1 372.509 3.719 20 0 FHADMP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140278 939043992 /nfs/dbraw/zinc/04/39/92/939043992.db2.gz PKHCIWWVGCGPOB-XMSQKQJNSA-N 2 1 368.521 3.893 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140709 939044118 /nfs/dbraw/zinc/04/41/18/939044118.db2.gz QUNFCNGLBRSEDE-KOSHJBKYSA-N 2 1 364.533 3.983 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268211 939088833 /nfs/dbraw/zinc/08/88/33/939088833.db2.gz KVLGSYPQTVMFGG-UTKZUKDTSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268211 939088839 /nfs/dbraw/zinc/08/88/39/939088839.db2.gz KVLGSYPQTVMFGG-UTKZUKDTSA-N 2 1 352.526 3.688 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295805 939101833 /nfs/dbraw/zinc/10/18/33/939101833.db2.gz OPMCEPSBSFSROM-DYESRHJHSA-N 2 1 353.510 3.697 20 0 FHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316998 939110042 /nfs/dbraw/zinc/11/00/42/939110042.db2.gz HZJNPHGFUYDNCP-YADHBBJMSA-N 2 1 366.553 3.800 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320404 939111348 /nfs/dbraw/zinc/11/13/48/939111348.db2.gz WAEFGNLGXHEBNA-UXHICEINSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320404 939111351 /nfs/dbraw/zinc/11/13/51/939111351.db2.gz WAEFGNLGXHEBNA-UXHICEINSA-N 2 1 352.526 3.763 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338598 939117085 /nfs/dbraw/zinc/11/70/85/939117085.db2.gz FQIWGUBGVYPRPK-XNZCMHNBSA-N 2 1 364.533 3.936 20 0 FHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1 ZINC000658347926 939121860 /nfs/dbraw/zinc/12/18/60/939121860.db2.gz LSUCXHGGVACJIH-OAQYLSRUSA-N 2 1 360.542 3.735 20 0 FHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658353359 939124296 /nfs/dbraw/zinc/12/42/96/939124296.db2.gz MFSKALOIAPZCPO-HXUWFJFHSA-N 2 1 369.597 3.794 20 0 FHADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366511 939133849 /nfs/dbraw/zinc/13/38/49/939133849.db2.gz RNDRSPWZRHFIQR-GGAORHGYSA-N 2 1 365.521 3.817 20 0 FHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000892467920 939217122 /nfs/dbraw/zinc/21/71/22/939217122.db2.gz NEJLBQCJBIJICI-UHFFFAOYSA-N 2 1 373.522 3.596 20 0 FHADMP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507472098 945257575 /nfs/dbraw/zinc/25/75/75/945257575.db2.gz QHTAFLSTIOHJJF-IXDOHACOSA-N 2 1 358.473 3.782 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000507489685 945276930 /nfs/dbraw/zinc/27/69/30/945276930.db2.gz XUDXBNYXVPQBOC-ZWKOTPCHSA-N 2 1 353.510 3.716 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000507489685 945276938 /nfs/dbraw/zinc/27/69/38/945276938.db2.gz XUDXBNYXVPQBOC-ZWKOTPCHSA-N 2 1 353.510 3.716 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507508240 945287532 /nfs/dbraw/zinc/28/75/32/945287532.db2.gz JHQSITUYCKCNHE-KSEOMHKRSA-N 2 1 360.505 3.606 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507524823 945303081 /nfs/dbraw/zinc/30/30/81/945303081.db2.gz KAHWDBQJICOJPG-AJSBUHFISA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507524823 945303089 /nfs/dbraw/zinc/30/30/89/945303089.db2.gz KAHWDBQJICOJPG-AJSBUHFISA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507524823 945303094 /nfs/dbraw/zinc/30/30/94/945303094.db2.gz KAHWDBQJICOJPG-AJSBUHFISA-N 3 1 353.554 3.504 20 0 FHADMP COc1ccccc1[C@H](CO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000570260306 940223091 /nfs/dbraw/zinc/22/30/91/940223091.db2.gz PLVXUEXBLAMHLA-NRFANRHFSA-N 2 1 354.494 3.504 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000584499353 940270009 /nfs/dbraw/zinc/27/00/09/940270009.db2.gz HVXSQEKHZLGBKD-PDGJWGCVSA-N 2 1 360.542 3.633 20 0 FHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991804 945311525 /nfs/dbraw/zinc/31/15/25/945311525.db2.gz XTDCFNMHQCUAFU-FCHUYYIVSA-N 2 1 372.553 3.607 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647498142 940390969 /nfs/dbraw/zinc/39/09/69/940390969.db2.gz BEIYERBKVNPPJO-WOJBJXKFSA-N 2 1 354.494 3.833 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647498142 940390971 /nfs/dbraw/zinc/39/09/71/940390971.db2.gz BEIYERBKVNPPJO-WOJBJXKFSA-N 2 1 354.494 3.833 20 0 FHADMP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000177774357 940429237 /nfs/dbraw/zinc/42/92/37/940429237.db2.gz ZZHOUBWGUGIAJK-WMZOPIPTSA-N 2 1 353.551 3.629 20 0 FHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850906 940467360 /nfs/dbraw/zinc/46/73/60/940467360.db2.gz MAAMEDKUERKJIW-RTWAWAEBSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850906 940467361 /nfs/dbraw/zinc/46/73/61/940467361.db2.gz MAAMEDKUERKJIW-RTWAWAEBSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850906 940467362 /nfs/dbraw/zinc/46/73/62/940467362.db2.gz MAAMEDKUERKJIW-RTWAWAEBSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850906 940467363 /nfs/dbraw/zinc/46/73/63/940467363.db2.gz MAAMEDKUERKJIW-RTWAWAEBSA-N 2 1 365.521 3.661 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760564 940478699 /nfs/dbraw/zinc/47/86/99/940478699.db2.gz XLUXEFMJMQLKTA-UGKGYDQZSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431760564 940478700 /nfs/dbraw/zinc/47/87/00/940478700.db2.gz XLUXEFMJMQLKTA-UGKGYDQZSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431760564 940478701 /nfs/dbraw/zinc/47/87/01/940478701.db2.gz XLUXEFMJMQLKTA-UGKGYDQZSA-N 2 1 371.569 3.799 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652137220 945325356 /nfs/dbraw/zinc/32/53/56/945325356.db2.gz CWUJSYAAJXOPEN-GOSISDBHSA-N 2 1 364.530 3.874 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414088645 940494211 /nfs/dbraw/zinc/49/42/11/940494211.db2.gz CDVASCHEEYXWEQ-BBTUJRGHSA-N 2 1 353.510 3.664 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414088645 940494213 /nfs/dbraw/zinc/49/42/13/940494213.db2.gz CDVASCHEEYXWEQ-BBTUJRGHSA-N 2 1 353.510 3.664 20 0 FHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000161751127 940495482 /nfs/dbraw/zinc/49/54/82/940495482.db2.gz UTHYVOSHCHUKEG-GOSISDBHSA-N 2 1 372.488 3.931 20 0 FHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000161751127 940495484 /nfs/dbraw/zinc/49/54/84/940495484.db2.gz UTHYVOSHCHUKEG-GOSISDBHSA-N 2 1 372.488 3.931 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000507576114 945327892 /nfs/dbraw/zinc/32/78/92/945327892.db2.gz RDCXWRNCKSUYKL-MRXNPFEDSA-N 2 1 370.335 3.616 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000414110010 940593987 /nfs/dbraw/zinc/59/39/87/940593987.db2.gz LHSDRXZUKAKRHW-MRXNPFEDSA-N 2 1 354.498 3.730 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115323 940603005 /nfs/dbraw/zinc/60/30/05/940603005.db2.gz MVAOURFIRIHBOK-CTNGQTDRSA-N 2 1 363.977 3.983 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000414174124 940710924 /nfs/dbraw/zinc/71/09/24/940710924.db2.gz GLLBSXWXKJGXMA-UCNVEGJOSA-N 2 1 350.506 3.663 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000414174124 940710927 /nfs/dbraw/zinc/71/09/27/940710927.db2.gz GLLBSXWXKJGXMA-UCNVEGJOSA-N 2 1 350.506 3.663 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000414174126 940711315 /nfs/dbraw/zinc/71/13/15/940711315.db2.gz GLLBSXWXKJGXMA-WEYGHZABSA-N 2 1 350.506 3.663 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000414174126 940711317 /nfs/dbraw/zinc/71/13/17/940711317.db2.gz GLLBSXWXKJGXMA-WEYGHZABSA-N 2 1 350.506 3.663 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295986 940718371 /nfs/dbraw/zinc/71/83/71/940718371.db2.gz MITOHHHXWIPYAN-MSOLQXFVSA-N 2 1 371.569 3.594 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414205712 940765138 /nfs/dbraw/zinc/76/51/38/940765138.db2.gz HVPXLRMTMIYGGP-ILWGZMRPSA-N 2 1 352.526 3.683 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414205712 940765141 /nfs/dbraw/zinc/76/51/41/940765141.db2.gz HVPXLRMTMIYGGP-ILWGZMRPSA-N 2 1 352.526 3.683 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C3CC3)cc2)C1 ZINC000892574475 940816769 /nfs/dbraw/zinc/81/67/69/940816769.db2.gz KIQNAXHLPAKKSW-QGZVFWFLSA-N 2 1 352.526 3.819 20 0 FHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660652038 945354381 /nfs/dbraw/zinc/35/43/81/945354381.db2.gz FIFBSSZZTWZJSM-QHCPKHFHSA-N 2 1 363.505 3.857 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660652038 945354391 /nfs/dbraw/zinc/35/43/91/945354391.db2.gz FIFBSSZZTWZJSM-QHCPKHFHSA-N 2 1 363.505 3.857 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660652038 945354403 /nfs/dbraw/zinc/35/44/03/945354403.db2.gz FIFBSSZZTWZJSM-QHCPKHFHSA-N 2 1 363.505 3.857 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660652038 945354416 /nfs/dbraw/zinc/35/44/16/945354416.db2.gz FIFBSSZZTWZJSM-QHCPKHFHSA-N 2 1 363.505 3.857 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000376456104 941046316 /nfs/dbraw/zinc/04/63/16/941046316.db2.gz VHDYBUFAWWNLFV-KRWDZBQOSA-N 2 1 374.554 3.583 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000376456104 941046321 /nfs/dbraw/zinc/04/63/21/941046321.db2.gz VHDYBUFAWWNLFV-KRWDZBQOSA-N 2 1 374.554 3.583 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC(F)F ZINC000647542999 941062875 /nfs/dbraw/zinc/06/28/75/941062875.db2.gz GFFDRRJYCNTUEZ-HZPDHXFCSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544402 941064141 /nfs/dbraw/zinc/06/41/41/941064141.db2.gz ZUCOOPIGDXMMIO-HUUCEWRRSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543823 941065839 /nfs/dbraw/zinc/06/58/39/941065839.db2.gz SNSRQPYJJBRIBM-RTWAWAEBSA-N 2 1 365.521 3.969 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543827 941065878 /nfs/dbraw/zinc/06/58/78/941065878.db2.gz SOKAPLKXPHCHDV-RTWAWAEBSA-N 2 1 365.521 3.872 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544034 941065942 /nfs/dbraw/zinc/06/59/42/941065942.db2.gz VQJGPTKNXIQKJW-UXHICEINSA-N 2 1 352.526 3.701 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000659288451 941149890 /nfs/dbraw/zinc/14/98/90/941149890.db2.gz XOKRVYXNFUCOMM-UHFFFAOYSA-N 2 1 352.482 3.655 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000480686143 941236225 /nfs/dbraw/zinc/23/62/25/941236225.db2.gz BWJBNLZFHIDZNO-QHCPKHFHSA-N 2 1 367.512 3.740 20 0 FHADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164741 941567402 /nfs/dbraw/zinc/56/74/02/941567402.db2.gz HAWLFXGGVQFLHQ-NRFANRHFSA-N 2 1 366.505 3.864 20 0 FHADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164741 941567405 /nfs/dbraw/zinc/56/74/05/941567405.db2.gz HAWLFXGGVQFLHQ-NRFANRHFSA-N 2 1 366.505 3.864 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056582 941576283 /nfs/dbraw/zinc/57/62/83/941576283.db2.gz SLRZDLGYGXMIDI-UGKGYDQZSA-N 2 1 351.494 3.625 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124651 941620544 /nfs/dbraw/zinc/62/05/44/941620544.db2.gz MWBNYYSLZWGMBR-WBVHZDCISA-N 2 1 373.324 3.720 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134885 941621809 /nfs/dbraw/zinc/62/18/09/941621809.db2.gz WHHOSENWFBLWQV-NVXWUHKLSA-N 2 1 360.523 3.752 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415130102 941623471 /nfs/dbraw/zinc/62/34/71/941623471.db2.gz QJLBRWLQYCXHPP-AEFFLSMTSA-N 2 1 373.324 3.720 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1(C)CCCC1 ZINC000377429351 941716012 /nfs/dbraw/zinc/71/60/12/941716012.db2.gz SFXUBXKKWUWLTP-UHFFFAOYSA-N 2 1 363.590 3.612 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc12 ZINC000894209762 941716918 /nfs/dbraw/zinc/71/69/18/941716918.db2.gz WNTRGKUKYTWHQV-OAHLLOKOSA-N 2 1 356.495 3.595 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc12 ZINC000894209762 941716921 /nfs/dbraw/zinc/71/69/21/941716921.db2.gz WNTRGKUKYTWHQV-OAHLLOKOSA-N 2 1 356.495 3.595 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261785947 941740259 /nfs/dbraw/zinc/74/02/59/941740259.db2.gz FUWRMDOAJXMQMO-ZDUSSCGKSA-N 2 1 352.404 3.527 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261785947 941740264 /nfs/dbraw/zinc/74/02/64/941740264.db2.gz FUWRMDOAJXMQMO-ZDUSSCGKSA-N 2 1 352.404 3.527 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261785943 941740416 /nfs/dbraw/zinc/74/04/16/941740416.db2.gz FUWRMDOAJXMQMO-CYBMUJFWSA-N 2 1 352.404 3.527 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261785943 941740420 /nfs/dbraw/zinc/74/04/20/941740420.db2.gz FUWRMDOAJXMQMO-CYBMUJFWSA-N 2 1 352.404 3.527 20 0 FHADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231106 941788604 /nfs/dbraw/zinc/78/86/04/941788604.db2.gz BTSXYFXVKUEYKU-CTNGQTDRSA-N 2 1 373.585 3.519 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]CC(c2ccccc2)c2ccccc2)CCCO1 ZINC000513252660 941818659 /nfs/dbraw/zinc/81/86/59/941818659.db2.gz MTUYMLLNWDFAMH-FQEVSTJZSA-N 2 1 352.522 3.909 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000513460825 941939649 /nfs/dbraw/zinc/93/96/49/941939649.db2.gz IKMFEDGACBZWCG-QZTJIDSGSA-N 2 1 369.347 3.583 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469149 941945678 /nfs/dbraw/zinc/94/56/78/941945678.db2.gz NHEJLLSSWJAISG-AUSIDOKSSA-N 3 1 351.538 3.891 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469149 941945681 /nfs/dbraw/zinc/94/56/81/941945681.db2.gz NHEJLLSSWJAISG-AUSIDOKSSA-N 3 1 351.538 3.891 20 0 FHADMP CCOc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510283 941972049 /nfs/dbraw/zinc/97/20/49/941972049.db2.gz AWVLQYFUFFCFAP-QUCCMNQESA-N 2 1 353.510 3.871 20 0 FHADMP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000430022607 941990529 /nfs/dbraw/zinc/99/05/29/941990529.db2.gz LSXPWTHRYRXDSC-GOSISDBHSA-N 2 1 356.514 3.625 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513544193 942004846 /nfs/dbraw/zinc/00/48/46/942004846.db2.gz FFWJLPLTITZWNN-AZUAARDMSA-N 2 1 366.505 3.848 20 0 FHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893113944 942063206 /nfs/dbraw/zinc/06/32/06/942063206.db2.gz PVAHFZQIILLWBB-MSOLQXFVSA-N 2 1 356.432 3.621 20 0 FHADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)C[NH+]1CCCCC1 ZINC000513648261 942064105 /nfs/dbraw/zinc/06/41/05/942064105.db2.gz OQSOJDDSUGWWBX-IBGZPJMESA-N 2 1 353.510 3.872 20 0 FHADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513661846 942070958 /nfs/dbraw/zinc/07/09/58/942070958.db2.gz RERAOVSYPHUGDG-NJDAHSKKSA-N 2 1 371.569 3.572 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000415914203 942136676 /nfs/dbraw/zinc/13/66/76/942136676.db2.gz VFUINFIWNMNELZ-SFHVURJKSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000415926487 942161987 /nfs/dbraw/zinc/16/19/87/942161987.db2.gz ZKGIZJQNLGJWIL-WMZOPIPTSA-N 2 1 358.530 3.571 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931337 942166610 /nfs/dbraw/zinc/16/66/10/942166610.db2.gz KTGYNOMTTQRZQE-DYESRHJHSA-N 2 1 366.509 3.581 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000415943299 942173889 /nfs/dbraw/zinc/17/38/89/942173889.db2.gz LJBSGKCKQQQSMV-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000415953347 942193515 /nfs/dbraw/zinc/19/35/15/942193515.db2.gz LEGMTJWOGNRHKK-RTBURBONSA-N 2 1 372.557 3.914 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000415954874 942197144 /nfs/dbraw/zinc/19/71/44/942197144.db2.gz HDKTYKUZPUJRLN-RBUKOAKNSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000415954874 942197147 /nfs/dbraw/zinc/19/71/47/942197147.db2.gz HDKTYKUZPUJRLN-RBUKOAKNSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415974141 942210863 /nfs/dbraw/zinc/21/08/63/942210863.db2.gz PYJJPEOHLANJRW-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980967 942225794 /nfs/dbraw/zinc/22/57/94/942225794.db2.gz UFXJVIOMCGRVNO-HXUWFJFHSA-N 2 1 366.509 3.521 20 0 FHADMP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000420942175 942265579 /nfs/dbraw/zinc/26/55/79/942265579.db2.gz UWWDNVRFPBDXSS-HXUWFJFHSA-N 2 1 371.550 3.793 20 0 FHADMP C[N@@H+](CCOc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023914 942267200 /nfs/dbraw/zinc/26/72/00/942267200.db2.gz AURMBZQTVZRXLU-UHFFFAOYSA-N 2 1 359.901 3.962 20 0 FHADMP O[C@H]1C[C@@H](C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420973347 942286140 /nfs/dbraw/zinc/28/61/40/942286140.db2.gz NBDJHKCSJQUZJV-WWNPGLIZSA-N 2 1 356.554 3.914 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335703 /nfs/dbraw/zinc/33/57/03/942335703.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335706 /nfs/dbraw/zinc/33/57/06/942335706.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335708 /nfs/dbraw/zinc/33/57/08/942335708.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 2 1 355.570 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335712 /nfs/dbraw/zinc/33/57/12/942335712.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 3 1 355.570 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335715 /nfs/dbraw/zinc/33/57/15/942335715.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335719 /nfs/dbraw/zinc/33/57/19/942335719.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335720 /nfs/dbraw/zinc/33/57/20/942335720.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000378159095 942336186 /nfs/dbraw/zinc/33/61/86/942336186.db2.gz CJLFSICLUZYJMT-PMAMDCHESA-N 2 1 372.553 3.633 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378192511 942375411 /nfs/dbraw/zinc/37/54/11/942375411.db2.gz ZGHDKOACGGMCKC-YESZJQIVSA-N 2 1 370.006 3.901 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000378207878 942388091 /nfs/dbraw/zinc/38/80/91/942388091.db2.gz SQHNQBQMANGBPV-SFHVURJKSA-N 2 1 357.542 3.617 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501285809 942388508 /nfs/dbraw/zinc/38/85/08/942388508.db2.gz RGUMXTXVJRXQTA-HJNYFJLDSA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000501285809 942388512 /nfs/dbraw/zinc/38/85/12/942388512.db2.gz RGUMXTXVJRXQTA-HJNYFJLDSA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000501285809 942388519 /nfs/dbraw/zinc/38/85/19/942388519.db2.gz RGUMXTXVJRXQTA-HJNYFJLDSA-N 2 1 371.569 3.935 20 0 FHADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713564 942430465 /nfs/dbraw/zinc/43/04/65/942430465.db2.gz QCTMBTTYFQVFMG-WSWWRLHASA-N 2 1 371.569 3.572 20 0 FHADMP C[NH+](C)[C@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)c1ccccc1 ZINC000416196477 942472157 /nfs/dbraw/zinc/47/21/57/942472157.db2.gz WVGDCURSOBUVHM-JOCHJYFZSA-N 2 1 365.521 3.955 20 0 FHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000513713758 942475327 /nfs/dbraw/zinc/47/53/27/942475327.db2.gz SSHSCZGHFGSBNY-UHFFFAOYSA-N 2 1 354.542 3.943 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000501491934 942500618 /nfs/dbraw/zinc/50/06/18/942500618.db2.gz PPLZFAGPQYJRHQ-BBLCHGJFSA-N 2 1 370.459 3.935 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000501519961 942522427 /nfs/dbraw/zinc/52/24/27/942522427.db2.gz WAORQJOQKACVCN-OALUTQOASA-N 2 1 374.573 3.591 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000513831149 942546644 /nfs/dbraw/zinc/54/66/44/942546644.db2.gz LGIXXCOUAYBLKO-OAQYLSRUSA-N 2 1 357.542 3.523 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420301807 942611314 /nfs/dbraw/zinc/61/13/14/942611314.db2.gz AZPUBNFRYBIPJA-RXVVDRJESA-N 2 1 351.494 3.736 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCCC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000420311607 942615032 /nfs/dbraw/zinc/61/50/32/942615032.db2.gz NUCBVUYDSZWBQQ-OAHLLOKOSA-N 2 1 358.452 3.580 20 0 FHADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000420311389 942615998 /nfs/dbraw/zinc/61/59/98/942615998.db2.gz VSIQOCDVIHLLMN-WFASDCNBSA-N 2 1 355.345 3.917 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@@H]12 ZINC000420312558 942616343 /nfs/dbraw/zinc/61/63/43/942616343.db2.gz SLYNCNFSDCRWQX-ZEFBCVDJSA-N 2 1 359.473 3.761 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@@H]12 ZINC000420312558 942616347 /nfs/dbraw/zinc/61/63/47/942616347.db2.gz SLYNCNFSDCRWQX-ZEFBCVDJSA-N 2 1 359.473 3.761 20 0 FHADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420315418 942617968 /nfs/dbraw/zinc/61/79/68/942617968.db2.gz MDUSUITVRZEMOU-SFHVURJKSA-N 2 1 360.914 3.887 20 0 FHADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420315418 942617971 /nfs/dbraw/zinc/61/79/71/942617971.db2.gz MDUSUITVRZEMOU-SFHVURJKSA-N 2 1 360.914 3.887 20 0 FHADMP Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420319495 942620218 /nfs/dbraw/zinc/62/02/18/942620218.db2.gz AEYGZMPYGPSBOD-UONOGXRCSA-N 2 1 363.477 3.910 20 0 FHADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341985 942624811 /nfs/dbraw/zinc/62/48/11/942624811.db2.gz PDDWUEOLQAUESH-UAGQMJEPSA-N 2 1 358.461 3.567 20 0 FHADMP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000420344451 942625835 /nfs/dbraw/zinc/62/58/35/942625835.db2.gz SUTSCRDTFFSTAV-HKUYNNGSSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000420344451 942625841 /nfs/dbraw/zinc/62/58/41/942625841.db2.gz SUTSCRDTFFSTAV-HKUYNNGSSA-N 2 1 351.494 3.741 20 0 FHADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420363068 942639999 /nfs/dbraw/zinc/63/99/99/942639999.db2.gz NRWSAEHXCUHAJX-VQTJNVASSA-N 2 1 371.569 3.625 20 0 FHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000420365698 942641004 /nfs/dbraw/zinc/64/10/04/942641004.db2.gz QLANQGGEKGARSS-IBGZPJMESA-N 2 1 359.901 3.792 20 0 FHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420373474 942644259 /nfs/dbraw/zinc/64/42/59/942644259.db2.gz ZGXDKLCZGSFJOP-IBGZPJMESA-N 2 1 355.482 3.771 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420386308 942649699 /nfs/dbraw/zinc/64/96/99/942649699.db2.gz FOMATCQULKKXSJ-CRAIPNDOSA-N 2 1 356.466 3.574 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420386308 942649705 /nfs/dbraw/zinc/64/97/05/942649705.db2.gz FOMATCQULKKXSJ-CRAIPNDOSA-N 2 1 356.466 3.574 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420386320 942649780 /nfs/dbraw/zinc/64/97/80/942649780.db2.gz FOMATCQULKKXSJ-QAPCUYQASA-N 2 1 356.466 3.574 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420386320 942649781 /nfs/dbraw/zinc/64/97/81/942649781.db2.gz FOMATCQULKKXSJ-QAPCUYQASA-N 2 1 356.466 3.574 20 0 FHADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000501773261 942660035 /nfs/dbraw/zinc/66/00/35/942660035.db2.gz ZFCBGGGEFYAUNA-UHFFFAOYSA-N 2 1 358.555 3.862 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000514014203 942671009 /nfs/dbraw/zinc/67/10/09/942671009.db2.gz WDVZERVGEKPYIW-UHFFFAOYSA-N 2 1 374.573 3.592 20 0 FHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000514092857 942742231 /nfs/dbraw/zinc/74/22/31/942742231.db2.gz GLHJZHMBKPUZFE-OTWHNJEPSA-N 2 1 355.530 3.676 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000659994519 942800260 /nfs/dbraw/zinc/80/02/60/942800260.db2.gz XCBZOAYZUAEFBB-CTNGQTDRSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000659994519 942800267 /nfs/dbraw/zinc/80/02/67/942800267.db2.gz XCBZOAYZUAEFBB-CTNGQTDRSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000659994519 942800273 /nfs/dbraw/zinc/80/02/73/942800273.db2.gz XCBZOAYZUAEFBB-CTNGQTDRSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659994519 942800279 /nfs/dbraw/zinc/80/02/79/942800279.db2.gz XCBZOAYZUAEFBB-CTNGQTDRSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659994519 942800287 /nfs/dbraw/zinc/80/02/87/942800287.db2.gz XCBZOAYZUAEFBB-CTNGQTDRSA-N 2 1 359.558 3.524 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000502862844 942810806 /nfs/dbraw/zinc/81/08/06/942810806.db2.gz OKCBZRWMSJDXRU-LJQANCHMSA-N 2 1 366.594 3.595 20 0 FHADMP Cc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000502887045 942817996 /nfs/dbraw/zinc/81/79/96/942817996.db2.gz JFHLIUIBXALIHR-UHFFFAOYSA-N 2 1 362.477 3.884 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000514211160 942820431 /nfs/dbraw/zinc/82/04/31/942820431.db2.gz OHJJVEMCHZZVKQ-LSTHTHJFSA-N 2 1 368.949 3.754 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421820578 942831438 /nfs/dbraw/zinc/83/14/38/942831438.db2.gz MWVGHIOPLWVCGC-OAQYLSRUSA-N 2 1 365.537 3.539 20 0 FHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000502960369 942877418 /nfs/dbraw/zinc/87/74/18/942877418.db2.gz NVSKEYHKQAPBPM-QRVBRYPASA-N 2 1 374.573 3.678 20 0 FHADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075087 942959956 /nfs/dbraw/zinc/95/99/56/942959956.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 2 1 373.589 3.683 20 0 FHADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075087 942959963 /nfs/dbraw/zinc/95/99/63/942959963.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 2 1 373.589 3.683 20 0 FHADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075087 942959968 /nfs/dbraw/zinc/95/99/68/942959968.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 2 1 373.589 3.683 20 0 FHADMP C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000414858676 943052973 /nfs/dbraw/zinc/05/29/73/943052973.db2.gz SGUAXEATKNHDEP-PKOBYXMFSA-N 2 1 354.542 3.707 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414650694 943095892 /nfs/dbraw/zinc/09/58/92/943095892.db2.gz BFEUEVYBBUUJPO-FXAWDEMLSA-N 2 1 354.494 3.833 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414650694 943095900 /nfs/dbraw/zinc/09/59/00/943095900.db2.gz BFEUEVYBBUUJPO-FXAWDEMLSA-N 2 1 354.494 3.833 20 0 FHADMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(OC)c1 ZINC000435059144 943130823 /nfs/dbraw/zinc/13/08/23/943130823.db2.gz PGZPPNIPKBWHFT-UHFFFAOYSA-N 2 1 355.482 3.616 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000414661152 943139521 /nfs/dbraw/zinc/13/95/21/943139521.db2.gz OBLLOJMUGZCKSN-UHFFFAOYSA-N 2 1 358.530 3.730 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272381946 943146396 /nfs/dbraw/zinc/14/63/96/943146396.db2.gz BZCQXFGIUIVYBF-UWJYYQICSA-N 2 1 351.494 3.645 20 0 FHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664866 943155924 /nfs/dbraw/zinc/15/59/24/943155924.db2.gz UJSOCIREMOLDBY-GJZGRUSLSA-N 2 1 360.933 3.992 20 0 FHADMP Cc1noc(C2CCC([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536237 943173185 /nfs/dbraw/zinc/17/31/85/943173185.db2.gz BEOYDFDXIOMZRD-ZEXAPNKDSA-N 2 1 368.525 3.904 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)cs1 ZINC000422560669 943182176 /nfs/dbraw/zinc/18/21/76/943182176.db2.gz HKKLLIXZAJAYDC-VKJFTORMSA-N 2 1 359.539 3.836 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)cs1 ZINC000422560668 943182459 /nfs/dbraw/zinc/18/24/59/943182459.db2.gz HKKLLIXZAJAYDC-RKVPGOIHSA-N 2 1 359.539 3.836 20 0 FHADMP CCCCN(CCCC)C(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503438000 943184106 /nfs/dbraw/zinc/18/41/06/943184106.db2.gz NWJNGKMSEBUMCI-IBGZPJMESA-N 2 1 374.573 3.828 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924954987 943193757 /nfs/dbraw/zinc/19/37/57/943193757.db2.gz YWCMXUVKVJDFDM-MLGOLLRUSA-N 2 1 363.303 3.652 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)cc1 ZINC000422707466 943242135 /nfs/dbraw/zinc/24/21/35/943242135.db2.gz HLISJXVSYLRMOO-JWTNVVGKSA-N 2 1 353.466 3.645 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422726233 943260562 /nfs/dbraw/zinc/26/05/62/943260562.db2.gz ZKBADPGFKAMHFO-JPYJTQIMSA-N 2 1 361.489 3.709 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757790 943262452 /nfs/dbraw/zinc/26/24/52/943262452.db2.gz IYZXRTXOKMVNOL-OYSPMZIOSA-N 2 1 369.475 3.818 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757781 943262552 /nfs/dbraw/zinc/26/25/52/943262552.db2.gz IYZXRTXOKMVNOL-CBVHJVASSA-N 2 1 369.475 3.818 20 0 FHADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1Cl)c1ccccc1OC ZINC000422775176 943278437 /nfs/dbraw/zinc/27/84/37/943278437.db2.gz AMAOZEUCCMRDMX-FOIQADDNSA-N 2 1 362.901 3.782 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)cc1 ZINC000422777627 943279359 /nfs/dbraw/zinc/27/93/59/943279359.db2.gz FVUVYARBHBNBKN-GOTSBHOMSA-N 2 1 365.521 3.642 20 0 FHADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)ccc2NC1=O ZINC000422805442 943290230 /nfs/dbraw/zinc/29/02/30/943290230.db2.gz GVJZAJRYTLWDQE-DMBMUNPASA-N 2 1 351.450 3.592 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000422791669 943293989 /nfs/dbraw/zinc/29/39/89/943293989.db2.gz QMXGCQBQHNSQKP-QGZVFWFLSA-N 2 1 352.526 3.685 20 0 FHADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832150 943299089 /nfs/dbraw/zinc/29/90/89/943299089.db2.gz URMZCZVZZUHNTM-DYESRHJHSA-N 2 1 357.567 3.508 20 0 FHADMP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422850992 943305509 /nfs/dbraw/zinc/30/55/09/943305509.db2.gz DSUQGNWLTDCVLV-SVFBPWRDSA-N 2 1 360.542 3.811 20 0 FHADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422892352 943320284 /nfs/dbraw/zinc/32/02/84/943320284.db2.gz MWGSRDHQGPNSRC-ZOCIIQOWSA-N 2 1 356.466 3.516 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422933870 943336363 /nfs/dbraw/zinc/33/63/63/943336363.db2.gz IOTCIIVECOJNMR-YPAWHYETSA-N 2 1 366.505 3.512 20 0 FHADMP C[C@H](CC[N@H+]1CC[C@H](c2ccncc2)C1)[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000584662848 943339810 /nfs/dbraw/zinc/33/98/10/943339810.db2.gz MWSVKRRENFQTHX-BVYCBKJFSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@H](c2ccncc2)C1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000584662848 943339817 /nfs/dbraw/zinc/33/98/17/943339817.db2.gz MWSVKRRENFQTHX-BVYCBKJFSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@H](c2ccncc2)C1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000584662848 943339820 /nfs/dbraw/zinc/33/98/20/943339820.db2.gz MWSVKRRENFQTHX-BVYCBKJFSA-N 2 1 350.510 3.534 20 0 FHADMP C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414708187 943347027 /nfs/dbraw/zinc/34/70/27/943347027.db2.gz IQXGGPBTIAIBBM-KRWDZBQOSA-N 2 1 358.530 3.524 20 0 FHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000414711764 943365444 /nfs/dbraw/zinc/36/54/44/943365444.db2.gz MXZKTSIIFFTEIV-LPHOPBHVSA-N 2 1 358.530 3.652 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435372756 943365608 /nfs/dbraw/zinc/36/56/08/943365608.db2.gz KTNIWCYKNBUGAI-KRWDZBQOSA-N 2 1 360.933 3.633 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435372756 943365614 /nfs/dbraw/zinc/36/56/14/943365614.db2.gz KTNIWCYKNBUGAI-KRWDZBQOSA-N 2 1 360.933 3.633 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000435377008 943366807 /nfs/dbraw/zinc/36/68/07/943366807.db2.gz XBAITTCJQYLAAT-NVXWUHKLSA-N 2 1 350.466 3.610 20 0 FHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@H]12 ZINC000435379155 943368516 /nfs/dbraw/zinc/36/85/16/943368516.db2.gz LFCJNUUZOLSUQW-ZAAXVRCTSA-N 2 1 369.896 3.761 20 0 FHADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022827 943369680 /nfs/dbraw/zinc/36/96/80/943369680.db2.gz FZRHSUXOOHWYOM-NWDGAFQWSA-N 2 1 368.102 3.604 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435378899 943369167 /nfs/dbraw/zinc/36/91/67/943369167.db2.gz GYAGKZOICZAJMQ-HXUWFJFHSA-N 2 1 360.505 3.640 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435378899 943369175 /nfs/dbraw/zinc/36/91/75/943369175.db2.gz GYAGKZOICZAJMQ-HXUWFJFHSA-N 2 1 360.505 3.640 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381302 943369925 /nfs/dbraw/zinc/36/99/25/943369925.db2.gz WANPPBVHMPHMRU-AEFFLSMTSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382888 943372012 /nfs/dbraw/zinc/37/20/12/943372012.db2.gz FOUYZOSZNFKGJF-PBHICJAKSA-N 2 1 366.431 3.509 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382888 943372018 /nfs/dbraw/zinc/37/20/18/943372018.db2.gz FOUYZOSZNFKGJF-PBHICJAKSA-N 2 1 366.431 3.509 20 0 FHADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036503 943373181 /nfs/dbraw/zinc/37/31/81/943373181.db2.gz UEUNSZRWQFXSGR-SCLBCKFNSA-N 2 1 356.341 3.545 20 0 FHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000435387281 943374882 /nfs/dbraw/zinc/37/48/82/943374882.db2.gz ZCHLCRNPKWLSDJ-UHFFFAOYSA-N 2 1 352.507 3.785 20 0 FHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000435387281 943374889 /nfs/dbraw/zinc/37/48/89/943374889.db2.gz ZCHLCRNPKWLSDJ-UHFFFAOYSA-N 2 1 352.507 3.785 20 0 FHADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085193 943388993 /nfs/dbraw/zinc/38/89/93/943388993.db2.gz JZOOLXCUSIARIJ-ADXGEFSYSA-N 2 1 373.507 3.692 20 0 FHADMP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435397187 943391554 /nfs/dbraw/zinc/39/15/54/943391554.db2.gz DGEOSKQDZHTZJM-WCRBZPEASA-N 2 1 364.537 3.940 20 0 FHADMP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435397187 943391561 /nfs/dbraw/zinc/39/15/61/943391561.db2.gz DGEOSKQDZHTZJM-WCRBZPEASA-N 2 1 364.537 3.940 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423096527 943392694 /nfs/dbraw/zinc/39/26/94/943392694.db2.gz PDTXJFDCBDJDNA-IEIRFRATSA-N 2 1 369.553 3.629 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000423096527 943392698 /nfs/dbraw/zinc/39/26/98/943392698.db2.gz PDTXJFDCBDJDNA-IEIRFRATSA-N 2 1 369.553 3.629 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423125132 943398251 /nfs/dbraw/zinc/39/82/51/943398251.db2.gz HTEWEHRAABTVBY-NNWRFLSQSA-N 2 1 354.469 3.739 20 0 FHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423106228 943402173 /nfs/dbraw/zinc/40/21/73/943402173.db2.gz RDTAOJDVHSZTLP-APWZRJJASA-N 2 1 365.949 3.577 20 0 FHADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000503885226 943402492 /nfs/dbraw/zinc/40/24/92/943402492.db2.gz KPKDSWMFKBEERW-UURKPOQGSA-N 2 1 350.453 3.647 20 0 FHADMP c1cc(C[N@@H+](Cc2ccc3c[nH]nc3c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426644 943405878 /nfs/dbraw/zinc/40/58/78/943405878.db2.gz JHGBJTPXMQOWDC-LJQANCHMSA-N 2 1 352.507 3.769 20 0 FHADMP CSc1cccc(F)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112832 943405904 /nfs/dbraw/zinc/40/59/04/943405904.db2.gz YCFCOJWUCYUUFK-PXNSSMCTSA-N 2 1 358.482 3.893 20 0 FHADMP CCC1CCC(N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000514948174 943414547 /nfs/dbraw/zinc/41/45/47/943414547.db2.gz WEFUFTAEWYXYHN-UHFFFAOYSA-N 2 1 363.590 3.610 20 0 FHADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435438961 943417945 /nfs/dbraw/zinc/41/79/45/943417945.db2.gz RZCVPHGPDBQVID-KRWDZBQOSA-N 2 1 360.523 3.910 20 0 FHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435439030 943418067 /nfs/dbraw/zinc/41/80/67/943418067.db2.gz SOYHGUHVIWJLIL-LBPRGKRZSA-N 2 1 363.246 3.624 20 0 FHADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C[NH+](C)C ZINC000514953440 943418624 /nfs/dbraw/zinc/41/86/24/943418624.db2.gz WNZIMEMDUYAWRB-FQEVSTJZSA-N 2 1 351.494 3.517 20 0 FHADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000423167794 943424633 /nfs/dbraw/zinc/42/46/33/943424633.db2.gz XFPOUZBSJVMSNM-WHSLLNHNSA-N 2 1 374.406 3.937 20 0 FHADMP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccccc3)s1)CC2)C1CC1 ZINC000364053899 943440954 /nfs/dbraw/zinc/44/09/54/943440954.db2.gz DKKSKBBRYGJOIV-KRWDZBQOSA-N 2 1 368.550 3.901 20 0 FHADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccccc3)s1)CC2)C1CC1 ZINC000364053899 943440957 /nfs/dbraw/zinc/44/09/57/943440957.db2.gz DKKSKBBRYGJOIV-KRWDZBQOSA-N 2 1 368.550 3.901 20 0 FHADMP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nnc(-c3ccccc3)s1)CC2)C1CC1 ZINC000364053914 943441006 /nfs/dbraw/zinc/44/10/06/943441006.db2.gz DKKSKBBRYGJOIV-QGZVFWFLSA-N 2 1 368.550 3.901 20 0 FHADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nnc(-c3ccccc3)s1)CC2)C1CC1 ZINC000364053914 943441013 /nfs/dbraw/zinc/44/10/13/943441013.db2.gz DKKSKBBRYGJOIV-QGZVFWFLSA-N 2 1 368.550 3.901 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423250431 943459436 /nfs/dbraw/zinc/45/94/36/943459436.db2.gz VAJOPQYMCZCBHM-NMNUPHIUSA-N 2 1 366.553 3.705 20 0 FHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423261348 943462705 /nfs/dbraw/zinc/46/27/05/943462705.db2.gz JTZVHUDIWHOONM-JQHSSLGASA-N 2 1 352.494 3.798 20 0 FHADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423297616 943476054 /nfs/dbraw/zinc/47/60/54/943476054.db2.gz LAYVMLHTAJORJJ-JQHSSLGASA-N 2 1 352.494 3.942 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414734826 943477103 /nfs/dbraw/zinc/47/71/03/943477103.db2.gz LFKDZTSYZQRKIU-QGZVFWFLSA-N 2 1 353.514 3.621 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000423327899 943481424 /nfs/dbraw/zinc/48/14/24/943481424.db2.gz KPFTZOXQRQMENB-HMNCIZAVSA-N 2 1 365.521 3.852 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1F ZINC000423358208 943490567 /nfs/dbraw/zinc/49/05/67/943490567.db2.gz BKGWPYLKLSQVAK-PXNSSMCTSA-N 2 1 364.480 3.739 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)[C@H](C)C1 ZINC000417303094 943496542 /nfs/dbraw/zinc/49/65/42/943496542.db2.gz DEQWXVGMYCAWAC-FQBWVUSXSA-N 2 1 350.572 3.967 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423385156 943498357 /nfs/dbraw/zinc/49/83/57/943498357.db2.gz GKHZNMPEAAVLKV-OUJBWJOFSA-N 2 1 350.356 3.538 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@H]32)cc1 ZINC000423391079 943499826 /nfs/dbraw/zinc/49/98/26/943499826.db2.gz PFOUHZZVTNLTMU-TZRRMPRUSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@H]32)cc1 ZINC000423391079 943499828 /nfs/dbraw/zinc/49/98/28/943499828.db2.gz PFOUHZZVTNLTMU-TZRRMPRUSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@H]32)cc1 ZINC000423391079 943499831 /nfs/dbraw/zinc/49/98/31/943499831.db2.gz PFOUHZZVTNLTMU-TZRRMPRUSA-N 2 1 361.533 3.823 20 0 FHADMP C[N@H+]1CCC[C@@H](CNCc2c[nH]cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281446 943508016 /nfs/dbraw/zinc/50/80/16/943508016.db2.gz UUCVOCIODGNVCA-WMLDXEAASA-N 2 1 352.404 3.601 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000423509650 943532295 /nfs/dbraw/zinc/53/22/95/943532295.db2.gz LRRONOVOQUKSHC-NLNFPOJYSA-N 2 1 356.341 3.860 20 0 FHADMP Cc1c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508490 943532523 /nfs/dbraw/zinc/53/25/23/943532523.db2.gz QWNJAIJUNIVSAK-YWZLYKJASA-N 2 1 367.472 3.846 20 0 FHADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519539 943544194 /nfs/dbraw/zinc/54/41/94/943544194.db2.gz PXUPJMNEHPBMDT-OBFZPWGMSA-N 2 1 371.569 3.830 20 0 FHADMP C[C@@H]1CCSCC[N@H+]1Cc1cncc(C[NH+]2CCSCC[C@@H]2C)c1 ZINC000584761155 943547820 /nfs/dbraw/zinc/54/78/20/943547820.db2.gz HJUFUDQIOHLHAI-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H]1CCSCC[NH+]1Cc1cncc(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000584761155 943547823 /nfs/dbraw/zinc/54/78/23/943547823.db2.gz HJUFUDQIOHLHAI-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H]1CCSCC[NH+]1Cc1cncc(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000584761155 943547827 /nfs/dbraw/zinc/54/78/27/943547827.db2.gz HJUFUDQIOHLHAI-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000423545476 943553394 /nfs/dbraw/zinc/55/33/94/943553394.db2.gz CQTZNZGHMPGTQW-INIZCTEOSA-N 2 1 359.464 3.609 20 0 FHADMP CC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423579906 943563203 /nfs/dbraw/zinc/56/32/03/943563203.db2.gz WVTKWCSSRHMHMF-OAQYLSRUSA-N 2 1 373.491 3.999 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)Cc2ccccc2)cc1)C1CC1 ZINC000511627256 943602406 /nfs/dbraw/zinc/60/24/06/943602406.db2.gz JFIBXCWESAGJAY-UHFFFAOYSA-N 2 1 365.521 3.533 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000511627256 943602411 /nfs/dbraw/zinc/60/24/11/943602411.db2.gz JFIBXCWESAGJAY-UHFFFAOYSA-N 2 1 365.521 3.533 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000511627256 943602413 /nfs/dbraw/zinc/60/24/13/943602413.db2.gz JFIBXCWESAGJAY-UHFFFAOYSA-N 2 1 365.521 3.533 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423904809 943643983 /nfs/dbraw/zinc/64/39/83/943643983.db2.gz ORBRQWSYDIFYSP-WSTZPKSXSA-N 2 1 365.521 3.737 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962253 943649916 /nfs/dbraw/zinc/64/99/16/943649916.db2.gz DQZDCPILNWALBD-RTWAWAEBSA-N 2 1 357.542 3.521 20 0 FHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587522 943735478 /nfs/dbraw/zinc/73/54/78/943735478.db2.gz SMLJOFVTTLEXFG-ICSRJNTNSA-N 2 1 374.573 3.666 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000414903925 943784676 /nfs/dbraw/zinc/78/46/76/943784676.db2.gz IWXNPLTYBBFJJJ-WMZOPIPTSA-N 2 1 369.513 3.503 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000414904187 943800547 /nfs/dbraw/zinc/80/05/47/943800547.db2.gz NBVFGFJAZKKGDU-VQIMIIECSA-N 2 1 369.513 3.788 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279032 943834218 /nfs/dbraw/zinc/83/42/18/943834218.db2.gz JWEPIDZNDRBXRT-MJGOQNOKSA-N 2 1 359.539 3.517 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279032 943834223 /nfs/dbraw/zinc/83/42/23/943834223.db2.gz JWEPIDZNDRBXRT-MJGOQNOKSA-N 2 1 359.539 3.517 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284159 943836920 /nfs/dbraw/zinc/83/69/20/943836920.db2.gz CVSHRSFNPRWAEO-HNNXBMFYSA-N 2 1 356.466 3.574 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779304 943876431 /nfs/dbraw/zinc/87/64/31/943876431.db2.gz GSHJYMXMBSNOQP-IBGZPJMESA-N 2 1 371.569 3.865 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001125913747 943888358 /nfs/dbraw/zinc/88/83/58/943888358.db2.gz DLANLIVHLDVITO-LJQANCHMSA-N 2 1 354.498 3.866 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001125913747 943888364 /nfs/dbraw/zinc/88/83/64/943888364.db2.gz DLANLIVHLDVITO-LJQANCHMSA-N 2 1 354.498 3.866 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383332 943891999 /nfs/dbraw/zinc/89/19/99/943891999.db2.gz UEHBNFCGLCBJPJ-QGZVFWFLSA-N 2 1 352.526 3.512 20 0 FHADMP CCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424385724 943892597 /nfs/dbraw/zinc/89/25/97/943892597.db2.gz WLYNLRKHEVFVFW-CQSZACIVSA-N 2 1 352.906 3.711 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000417868662 943910211 /nfs/dbraw/zinc/91/02/11/943910211.db2.gz CTWDTGGFXFVWNK-NQIIRXRSSA-N 2 1 374.573 3.577 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000424442148 943916967 /nfs/dbraw/zinc/91/69/67/943916967.db2.gz XIRARZDOOHEYOB-FXAWDEMLSA-N 2 1 366.509 3.628 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033939 943929710 /nfs/dbraw/zinc/92/97/10/943929710.db2.gz PTQMOJMGARDEAV-MRXNPFEDSA-N 2 1 352.544 3.542 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033939 943929714 /nfs/dbraw/zinc/92/97/14/943929714.db2.gz PTQMOJMGARDEAV-MRXNPFEDSA-N 2 1 352.544 3.542 20 0 FHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033939 943929718 /nfs/dbraw/zinc/92/97/18/943929718.db2.gz PTQMOJMGARDEAV-MRXNPFEDSA-N 2 1 352.544 3.542 20 0 FHADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(-c2cnn(C)c2)c1 ZINC000517036892 943932232 /nfs/dbraw/zinc/93/22/32/943932232.db2.gz AUQUTXPGJALULG-UHFFFAOYSA-N 2 1 352.526 3.846 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414790052 943936057 /nfs/dbraw/zinc/93/60/57/943936057.db2.gz ZIBQHKSYYXSUFI-CQSZACIVSA-N 2 1 357.325 3.613 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417946817 943992163 /nfs/dbraw/zinc/99/21/63/943992163.db2.gz ZOCHXZFSCDUALU-SFHVURJKSA-N 2 1 365.521 3.704 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425462685 944011030 /nfs/dbraw/zinc/01/10/30/944011030.db2.gz WUTZRWRALQRZRZ-GOSISDBHSA-N 2 1 357.542 3.593 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000500095606 944088426 /nfs/dbraw/zinc/08/84/26/944088426.db2.gz GKYQDJRFZDRJRE-QHCPKHFHSA-N 2 1 357.586 3.747 20 0 FHADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000517202813 944100884 /nfs/dbraw/zinc/10/08/84/944100884.db2.gz ZPXRSGZDALUWFS-IBGZPJMESA-N 2 1 371.550 3.969 20 0 FHADMP CC(=O)Nc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000517202813 944100889 /nfs/dbraw/zinc/10/08/89/944100889.db2.gz ZPXRSGZDALUWFS-IBGZPJMESA-N 2 1 371.550 3.969 20 0 FHADMP CC(=O)Nc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000517202813 944100900 /nfs/dbraw/zinc/10/09/00/944100900.db2.gz ZPXRSGZDALUWFS-IBGZPJMESA-N 2 1 371.550 3.969 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)c2)CCO1 ZINC000436278922 944159370 /nfs/dbraw/zinc/15/93/70/944159370.db2.gz GZQWZQCANHMDHZ-INIZCTEOSA-N 2 1 367.468 3.818 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)c2)CCO1 ZINC000436278922 944159373 /nfs/dbraw/zinc/15/93/73/944159373.db2.gz GZQWZQCANHMDHZ-INIZCTEOSA-N 2 1 367.468 3.818 20 0 FHADMP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000425929084 944204721 /nfs/dbraw/zinc/20/47/21/944204721.db2.gz TZBZIRNQVVAEDB-OTXOEQGISA-N 2 1 372.553 3.986 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000438987985 944235506 /nfs/dbraw/zinc/23/55/06/944235506.db2.gz VVZPGZMVSILEOY-HNNXBMFYSA-N 2 1 359.514 3.711 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCC1 ZINC000414882841 944242428 /nfs/dbraw/zinc/24/24/28/944242428.db2.gz URSAHPZDGLDMAZ-UHFFFAOYSA-N 2 1 352.507 3.631 20 0 FHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167975041 944268609 /nfs/dbraw/zinc/26/86/09/944268609.db2.gz GBUGQPPKIJRAHM-LEKVTHMOSA-N 3 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975041 944268616 /nfs/dbraw/zinc/26/86/16/944268616.db2.gz GBUGQPPKIJRAHM-LEKVTHMOSA-N 3 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975041 944268620 /nfs/dbraw/zinc/26/86/20/944268620.db2.gz GBUGQPPKIJRAHM-LEKVTHMOSA-N 3 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975041 944268625 /nfs/dbraw/zinc/26/86/25/944268625.db2.gz GBUGQPPKIJRAHM-LEKVTHMOSA-N 2 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975041 944268631 /nfs/dbraw/zinc/26/86/31/944268631.db2.gz GBUGQPPKIJRAHM-LEKVTHMOSA-N 2 1 368.569 3.559 20 0 FHADMP Fc1ccc(Cn2cncc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167975159 944271600 /nfs/dbraw/zinc/27/16/00/944271600.db2.gz JMNZWUQSXLIFOA-SEJPIABJSA-N 2 1 368.500 3.566 20 0 FHADMP Fc1ccc(Cn2cncc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167975159 944271610 /nfs/dbraw/zinc/27/16/10/944271610.db2.gz JMNZWUQSXLIFOA-SEJPIABJSA-N 2 1 368.500 3.566 20 0 FHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000101595835 944276302 /nfs/dbraw/zinc/27/63/02/944276302.db2.gz SCRDAZWSIJUSDT-UHFFFAOYSA-N 2 1 374.447 3.990 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436400512 944276734 /nfs/dbraw/zinc/27/67/34/944276734.db2.gz KPAIGGXAILTGPK-AJSBUHFISA-N 2 1 350.506 3.679 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000414919493 944282573 /nfs/dbraw/zinc/28/25/73/944282573.db2.gz XDYGYQOPFDXUIL-IIBYNOLFSA-N 2 1 369.513 3.503 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439089076 944328338 /nfs/dbraw/zinc/32/83/38/944328338.db2.gz VQCVWLSDJVBVTI-IXDOHACOSA-N 2 1 361.530 3.672 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439089076 944328342 /nfs/dbraw/zinc/32/83/42/944328342.db2.gz VQCVWLSDJVBVTI-IXDOHACOSA-N 2 1 361.530 3.672 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413320 944359907 /nfs/dbraw/zinc/35/99/07/944359907.db2.gz XXMMDMQUVNAXON-DNVJHFABSA-N 3 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413320 944359912 /nfs/dbraw/zinc/35/99/12/944359912.db2.gz XXMMDMQUVNAXON-DNVJHFABSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413320 944359919 /nfs/dbraw/zinc/35/99/19/944359919.db2.gz XXMMDMQUVNAXON-DNVJHFABSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413320 944359926 /nfs/dbraw/zinc/35/99/26/944359926.db2.gz XXMMDMQUVNAXON-DNVJHFABSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000518426207 944370420 /nfs/dbraw/zinc/37/04/20/944370420.db2.gz CBHPDSZNSOXWKC-OALUTQOASA-N 2 1 361.549 3.685 20 0 FHADMP CC1(C)C[N@@H+](CCCn2ccnc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835870 944378733 /nfs/dbraw/zinc/37/87/33/944378733.db2.gz MLYGZOYPMFIMKY-QFIPXVFZSA-N 2 1 366.553 3.896 20 0 FHADMP Cc1nnc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837569 944392393 /nfs/dbraw/zinc/39/23/93/944392393.db2.gz PGFUFAAQVXQTPD-JXFKEZNVSA-N 2 1 367.541 3.797 20 0 FHADMP Cc1nnc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837569 944392402 /nfs/dbraw/zinc/39/24/02/944392402.db2.gz PGFUFAAQVXQTPD-JXFKEZNVSA-N 2 1 367.541 3.797 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCCCOc3ccccc3)CC2)oc1C ZINC000438217607 944420079 /nfs/dbraw/zinc/42/00/79/944420079.db2.gz SHJKRIOBFSUDGO-UHFFFAOYSA-N 2 1 371.525 3.952 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000414888828 944501790 /nfs/dbraw/zinc/50/17/90/944501790.db2.gz YENMGGQIWCCPJH-MRXNPFEDSA-N 2 1 374.916 3.530 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000047039238 944526119 /nfs/dbraw/zinc/52/61/19/944526119.db2.gz ZQFDRJADVULXQX-HDICACEKSA-N 2 1 363.546 3.609 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000390602153 944544681 /nfs/dbraw/zinc/54/46/81/944544681.db2.gz USDZRLIQDZWZEK-JOCHJYFZSA-N 2 1 366.505 3.848 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000390602153 944544686 /nfs/dbraw/zinc/54/46/86/944544686.db2.gz USDZRLIQDZWZEK-JOCHJYFZSA-N 2 1 366.505 3.848 20 0 FHADMP Cc1cc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175893 944559291 /nfs/dbraw/zinc/55/92/91/944559291.db2.gz XDJDTFUZXQKYMN-IXDOHACOSA-N 2 1 368.949 3.584 20 0 FHADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000093442824 944606812 /nfs/dbraw/zinc/60/68/12/944606812.db2.gz HASOIPWGIBNULG-QHCPKHFHSA-N 2 1 368.521 3.717 20 0 FHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000518708018 944635327 /nfs/dbraw/zinc/63/53/27/944635327.db2.gz HPOKCMQRFKVGRI-VQTJNVASSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000518708018 944635333 /nfs/dbraw/zinc/63/53/33/944635333.db2.gz HPOKCMQRFKVGRI-VQTJNVASSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000518708018 944635343 /nfs/dbraw/zinc/63/53/43/944635343.db2.gz HPOKCMQRFKVGRI-VQTJNVASSA-N 2 1 366.594 3.595 20 0 FHADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000759870698 944646484 /nfs/dbraw/zinc/64/64/84/944646484.db2.gz YJPNRTJMFNHPFX-ZUEVXXBESA-N 2 1 354.897 3.755 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C[C@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270243 944649679 /nfs/dbraw/zinc/64/96/79/944649679.db2.gz KJWSUSWKMLNTPU-RBBKRZOGSA-N 2 1 354.538 3.861 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000518763405 944712462 /nfs/dbraw/zinc/71/24/62/944712462.db2.gz ITNZPYLIZPVWCI-HUUCEWRRSA-N 2 1 352.906 3.569 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000506890212 944731300 /nfs/dbraw/zinc/73/13/00/944731300.db2.gz KQOGQLJMRMNPEJ-UHFFFAOYSA-N 2 1 358.505 3.955 20 0 FHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000438560685 944770418 /nfs/dbraw/zinc/77/04/18/944770418.db2.gz HJHKHARPUBNFMU-PXNSSMCTSA-N 2 1 357.542 3.639 20 0 FHADMP Cn1ccnc1[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441670 944863658 /nfs/dbraw/zinc/86/36/58/944863658.db2.gz ACCLMNPLEAAIBJ-CTNGQTDRSA-N 2 1 352.526 3.763 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)cc1 ZINC000511695079 944909926 /nfs/dbraw/zinc/90/99/26/944909926.db2.gz GKKCTABHRKVBJB-RBUKOAKNSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000511695079 944909934 /nfs/dbraw/zinc/90/99/34/944909934.db2.gz GKKCTABHRKVBJB-RBUKOAKNSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000511695079 944909938 /nfs/dbraw/zinc/90/99/38/944909938.db2.gz GKKCTABHRKVBJB-RBUKOAKNSA-N 2 1 359.558 3.769 20 0 FHADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(C(F)(F)F)cc2Br)CC1 ZINC001222538558 944979610 /nfs/dbraw/zinc/97/96/10/944979610.db2.gz ONVGXOTVKRNJFD-UHFFFAOYSA-N 2 1 369.200 3.731 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CSC)c2)[C@H](C)C1 ZINC000437070128 945003846 /nfs/dbraw/zinc/00/38/46/945003846.db2.gz ALVIHMUPKQSCOD-YLJYHZDGSA-N 2 1 350.572 3.776 20 0 FHADMP Fc1ccc(Cn2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000187474334 945016436 /nfs/dbraw/zinc/01/64/36/945016436.db2.gz LXHBUAJUKKPJGY-KNQAVFIVSA-N 2 1 368.500 3.519 20 0 FHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984741 945045580 /nfs/dbraw/zinc/04/55/80/945045580.db2.gz QLDHNUYODXGMTO-VJAZVCSNSA-N 2 1 365.565 3.723 20 0 FHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984741 945045596 /nfs/dbraw/zinc/04/55/96/945045596.db2.gz QLDHNUYODXGMTO-VJAZVCSNSA-N 2 1 365.565 3.723 20 0 FHADMP C[C@@H]1CC([N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048173 945388706 /nfs/dbraw/zinc/38/87/06/945388706.db2.gz UXBHMMIOEPABDM-PWHSHALESA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925852 945463827 /nfs/dbraw/zinc/46/38/27/945463827.db2.gz RKBGJUFHOSWUCT-WZONZLPQSA-N 2 1 365.521 3.933 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925852 945463835 /nfs/dbraw/zinc/46/38/35/945463835.db2.gz RKBGJUFHOSWUCT-WZONZLPQSA-N 2 1 365.521 3.933 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000519480381 945464573 /nfs/dbraw/zinc/46/45/73/945464573.db2.gz VRGYNQDXLPXDSU-JQVVWYNYSA-N 2 1 369.553 3.760 20 0 FHADMP C[N@@H+](C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417452 945597086 /nfs/dbraw/zinc/59/70/86/945597086.db2.gz NQNBVMXWURNLRL-APZTZJSISA-N 2 1 365.562 3.581 20 0 FHADMP C[NH+](C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417452 945597091 /nfs/dbraw/zinc/59/70/91/945597091.db2.gz NQNBVMXWURNLRL-APZTZJSISA-N 2 1 365.562 3.581 20 0 FHADMP C[NH+](C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417452 945597096 /nfs/dbraw/zinc/59/70/96/945597096.db2.gz NQNBVMXWURNLRL-APZTZJSISA-N 2 1 365.562 3.581 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150754860 945972414 /nfs/dbraw/zinc/97/24/14/945972414.db2.gz PITRDNFZNJBLEH-HXUWFJFHSA-N 2 1 363.505 3.857 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150754860 945972422 /nfs/dbraw/zinc/97/24/22/945972422.db2.gz PITRDNFZNJBLEH-HXUWFJFHSA-N 2 1 363.505 3.857 20 0 FHADMP FC(F)(F)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167974210 945976902 /nfs/dbraw/zinc/97/69/02/945976902.db2.gz QYHYLMJSJAQULD-AYHJJNSGSA-N 2 1 353.432 3.638 20 0 FHADMP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3ccc(Cl)cc23)ccn1 ZINC000301864439 946009719 /nfs/dbraw/zinc/00/97/19/946009719.db2.gz GVOAYQKHHODQSO-UHFFFAOYSA-N 2 1 356.857 3.836 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594521081 946074696 /nfs/dbraw/zinc/07/46/96/946074696.db2.gz LMFAYLDPJITEIN-LOXVXLSQSA-N 2 1 364.574 3.841 20 0 FHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000188227016 946159762 /nfs/dbraw/zinc/15/97/62/946159762.db2.gz CCRPQXHVEWOLQI-DXJOGWAWSA-N 2 1 351.332 3.985 20 0 FHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000188227016 946159768 /nfs/dbraw/zinc/15/97/68/946159768.db2.gz CCRPQXHVEWOLQI-DXJOGWAWSA-N 2 1 351.332 3.985 20 0 FHADMP Fc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000045806770 946162121 /nfs/dbraw/zinc/16/21/21/946162121.db2.gz FVOXYHINRNEUDP-UHFFFAOYSA-N 2 1 372.488 3.964 20 0 FHADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)c1 ZINC000045806971 946162204 /nfs/dbraw/zinc/16/22/04/946162204.db2.gz CSTVAZVBTOKKFE-UHFFFAOYSA-N 2 1 357.542 3.830 20 0 FHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105367 946203576 /nfs/dbraw/zinc/20/35/76/946203576.db2.gz QWACQLUYMCQFBG-BZUAXINKSA-N 2 1 354.441 3.649 20 0 FHADMP Cc1cc(N2CCC([NH2+]CCCCCOc3ccccc3)CC2)nc(C)[nH+]1 ZINC000188270849 946215026 /nfs/dbraw/zinc/21/50/26/946215026.db2.gz DNXUABTZNGJAGR-UHFFFAOYSA-N 2 1 368.525 3.901 20 0 FHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708395 946289117 /nfs/dbraw/zinc/28/91/17/946289117.db2.gz CVWWTNVPLSCXHZ-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302708395 946289129 /nfs/dbraw/zinc/28/91/29/946289129.db2.gz CVWWTNVPLSCXHZ-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP Cc1cc(OCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C(C)C ZINC000441221375 946311200 /nfs/dbraw/zinc/31/12/00/946311200.db2.gz ACWWHADSMXPMMN-BVYCBKJFSA-N 2 1 360.542 3.681 20 0 FHADMP Cc1cc(OCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C(C)C ZINC000441221379 946311794 /nfs/dbraw/zinc/31/17/94/946311794.db2.gz ACWWHADSMXPMMN-STZQEDGTSA-N 2 1 360.542 3.681 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260811 946366217 /nfs/dbraw/zinc/36/62/17/946366217.db2.gz SXXGLRVABXCFCP-BPQIPLTHSA-N 2 1 373.324 3.556 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260811 946366226 /nfs/dbraw/zinc/36/62/26/946366226.db2.gz SXXGLRVABXCFCP-BPQIPLTHSA-N 2 1 373.324 3.556 20 0 FHADMP Cc1ccc(-c2cccc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)c2)cc1 ZINC000441337853 946446255 /nfs/dbraw/zinc/44/62/55/946446255.db2.gz CCCYESAEQGABRX-UHFFFAOYSA-N 2 1 351.538 3.778 20 0 FHADMP CC[N@@H+](CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237594 946516481 /nfs/dbraw/zinc/51/64/81/946516481.db2.gz UPIGDBUZTUSFOJ-REWPJTCUSA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@H+](CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237594 946516490 /nfs/dbraw/zinc/51/64/90/946516490.db2.gz UPIGDBUZTUSFOJ-REWPJTCUSA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@@H+](CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237594 946516502 /nfs/dbraw/zinc/51/65/02/946516502.db2.gz UPIGDBUZTUSFOJ-REWPJTCUSA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237594 946516508 /nfs/dbraw/zinc/51/65/08/946516508.db2.gz UPIGDBUZTUSFOJ-REWPJTCUSA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237594 946516516 /nfs/dbraw/zinc/51/65/16/946516516.db2.gz UPIGDBUZTUSFOJ-REWPJTCUSA-N 2 1 372.601 3.926 20 0 FHADMP Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394362 946549060 /nfs/dbraw/zinc/54/90/60/946549060.db2.gz OPCCBLMJGDHMQE-HRAATJIYSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394362 946549063 /nfs/dbraw/zinc/54/90/63/946549063.db2.gz OPCCBLMJGDHMQE-HRAATJIYSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394362 946549068 /nfs/dbraw/zinc/54/90/68/946549068.db2.gz OPCCBLMJGDHMQE-HRAATJIYSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394362 946549087 /nfs/dbraw/zinc/54/90/87/946549087.db2.gz OPCCBLMJGDHMQE-HRAATJIYSA-N 2 1 355.457 3.929 20 0 FHADMP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168057763 946589278 /nfs/dbraw/zinc/58/92/78/946589278.db2.gz NSHRARXDXCAOPM-LXGFNABISA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168057763 946589285 /nfs/dbraw/zinc/58/92/85/946589285.db2.gz NSHRARXDXCAOPM-LXGFNABISA-N 2 1 358.526 3.702 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191078 946625557 /nfs/dbraw/zinc/62/55/57/946625557.db2.gz CCTZJOVEOGVDNO-YHUYYLMFSA-N 2 1 356.963 3.984 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191078 946625561 /nfs/dbraw/zinc/62/55/61/946625561.db2.gz CCTZJOVEOGVDNO-YHUYYLMFSA-N 2 1 356.963 3.984 20 0 FHADMP C[C@@H]1CC([N@@H+](C)[C@@H]2CCC3(C2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059909 946749049 /nfs/dbraw/zinc/74/90/49/946749049.db2.gz VTJWHEKJYXIVQG-QWFCFKBJSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1CC([N@H+](C)[C@@H]2CCC3(C2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059909 946749041 /nfs/dbraw/zinc/74/90/41/946749041.db2.gz VTJWHEKJYXIVQG-QWFCFKBJSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@H]1CN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000550358141 946774554 /nfs/dbraw/zinc/77/45/54/946774554.db2.gz ZIMSAULFOOLRLH-PMACEKPBSA-N 2 1 359.558 3.656 20 0 FHADMP Cc1cc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345617 946872129 /nfs/dbraw/zinc/87/21/29/946872129.db2.gz GUPZGUSDWGSSPU-IPJJNNNSSA-N 2 1 360.542 3.716 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348048 946879700 /nfs/dbraw/zinc/87/97/00/946879700.db2.gz SMWRPLQQEFJGNI-NOVWEMISSA-N 2 1 372.431 3.865 20 0 FHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348391 946892623 /nfs/dbraw/zinc/89/26/23/946892623.db2.gz BVINLWAXGZSNSM-HUHSQHJXSA-N 2 1 367.331 3.728 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348624 946893630 /nfs/dbraw/zinc/89/36/30/946893630.db2.gz KTBCNUCCBMRLTJ-QXAKKESOSA-N 2 1 370.459 3.856 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)cc1F ZINC000652354140 946912744 /nfs/dbraw/zinc/91/27/44/946912744.db2.gz NWAOGOYLBVFREM-MAUKXSAKSA-N 2 1 360.477 3.566 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360961 946928357 /nfs/dbraw/zinc/92/83/57/946928357.db2.gz VCLDWXKNUONHKV-NJAFHUGGSA-N 2 1 354.947 3.793 20 0 FHADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361518 946929609 /nfs/dbraw/zinc/92/96/09/946929609.db2.gz JMWVOHGCLTUWFN-UAGQMJEPSA-N 2 1 361.511 3.572 20 0 FHADMP O=C(c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000647978155 946934049 /nfs/dbraw/zinc/93/40/49/946934049.db2.gz NISWUIBFNRFNAK-YADHBBJMSA-N 2 1 369.553 3.524 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)cc1 ZINC000647978464 946970672 /nfs/dbraw/zinc/97/06/72/946970672.db2.gz SNUZOSSGGDTAAC-FCHUYYIVSA-N 2 1 365.521 3.872 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167906619 947006609 /nfs/dbraw/zinc/00/66/09/947006609.db2.gz HYXHBCIBKAAFLD-APWZRJJASA-N 2 1 371.529 3.528 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167906517 947006750 /nfs/dbraw/zinc/00/67/50/947006750.db2.gz HYXHBCIBKAAFLD-QFBILLFUSA-N 2 1 371.529 3.528 20 0 FHADMP CCC[N@@H+](CCC[NH+]1CCCCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000444578013 947008072 /nfs/dbraw/zinc/00/80/72/947008072.db2.gz ZTTXQBAIQTYCCI-UHFFFAOYSA-N 3 1 373.589 3.650 20 0 FHADMP CCC[N@H+](CCCN1CCCCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000444578013 947008085 /nfs/dbraw/zinc/00/80/85/947008085.db2.gz ZTTXQBAIQTYCCI-UHFFFAOYSA-N 3 1 373.589 3.650 20 0 FHADMP c1ccc2c(c1)COC21CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995828 947040799 /nfs/dbraw/zinc/04/07/99/947040799.db2.gz RGFSDUOQZSRIHR-WCRBZPEASA-N 2 1 352.522 3.913 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000124572587 947120276 /nfs/dbraw/zinc/12/02/76/947120276.db2.gz SDIUQDRBYDTRPA-IBGZPJMESA-N 2 1 369.484 3.786 20 0 FHADMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000248876681 947315074 /nfs/dbraw/zinc/31/50/74/947315074.db2.gz MTQGQJYZCVIYQN-SUMWQHHRSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000248876681 947315081 /nfs/dbraw/zinc/31/50/81/947315081.db2.gz MTQGQJYZCVIYQN-SUMWQHHRSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000248876681 947315094 /nfs/dbraw/zinc/31/50/94/947315094.db2.gz MTQGQJYZCVIYQN-SUMWQHHRSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000248876681 947315106 /nfs/dbraw/zinc/31/51/06/947315106.db2.gz MTQGQJYZCVIYQN-SUMWQHHRSA-N 2 1 350.890 3.503 20 0 FHADMP OC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000662163573 947392981 /nfs/dbraw/zinc/39/29/81/947392981.db2.gz RVNMRZSXASKNKJ-OAQYLSRUSA-N 2 1 360.448 3.774 20 0 FHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000475619676 947428292 /nfs/dbraw/zinc/42/82/92/947428292.db2.gz ATZXAZOMXHNDKM-UHFFFAOYSA-N 2 1 368.868 3.614 20 0 FHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460353 947609142 /nfs/dbraw/zinc/60/91/42/947609142.db2.gz DCBGUDKYTLCXLY-CTNGQTDRSA-N 2 1 374.569 3.532 20 0 FHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460353 947609149 /nfs/dbraw/zinc/60/91/49/947609149.db2.gz DCBGUDKYTLCXLY-CTNGQTDRSA-N 2 1 374.569 3.532 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189148858 947646949 /nfs/dbraw/zinc/64/69/49/947646949.db2.gz HTMDGDVYCWIXNR-UHFFFAOYSA-N 2 1 366.484 3.812 20 0 FHADMP Clc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662291457 947714803 /nfs/dbraw/zinc/71/48/03/947714803.db2.gz SSNTYRHJBHRUDZ-INIZCTEOSA-N 2 1 360.889 3.602 20 0 FHADMP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295227 947716108 /nfs/dbraw/zinc/71/61/08/947716108.db2.gz GCXGNJRNVZXXJT-INIZCTEOSA-N 2 1 360.889 3.602 20 0 FHADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295225 947716479 /nfs/dbraw/zinc/71/64/79/947716479.db2.gz GCMOZBQEYRORSF-WMZOPIPTSA-N 2 1 354.498 3.818 20 0 FHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797612 947742364 /nfs/dbraw/zinc/74/23/64/947742364.db2.gz GZTIDACZSYILSM-GOSISDBHSA-N 2 1 365.562 3.726 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797612 947742365 /nfs/dbraw/zinc/74/23/65/947742365.db2.gz GZTIDACZSYILSM-GOSISDBHSA-N 2 1 365.562 3.726 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797612 947742373 /nfs/dbraw/zinc/74/23/73/947742373.db2.gz GZTIDACZSYILSM-GOSISDBHSA-N 2 1 365.562 3.726 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167797612 947742381 /nfs/dbraw/zinc/74/23/81/947742381.db2.gz GZTIDACZSYILSM-GOSISDBHSA-N 2 1 365.562 3.726 20 0 FHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000662327213 947752492 /nfs/dbraw/zinc/75/24/92/947752492.db2.gz GIGMTLBKFGPNIF-UHFFFAOYSA-N 2 1 370.566 3.848 20 0 FHADMP Clc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662329121 947760068 /nfs/dbraw/zinc/76/00/68/947760068.db2.gz YYNHFXAAYVAAGR-UHFFFAOYSA-N 2 1 358.917 3.910 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345586 947813040 /nfs/dbraw/zinc/81/30/40/947813040.db2.gz LIAHKABJEWJZCL-OAHLLOKOSA-N 2 1 360.452 3.567 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000663346980 947814990 /nfs/dbraw/zinc/81/49/90/947814990.db2.gz DRENTYJITBLJCD-FQEVSTJZSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000663346980 947814993 /nfs/dbraw/zinc/81/49/93/947814993.db2.gz DRENTYJITBLJCD-FQEVSTJZSA-N 2 1 365.521 3.872 20 0 FHADMP FC(F)(F)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663346619 947815767 /nfs/dbraw/zinc/81/57/67/947815767.db2.gz BDEGUBUCDLDECO-QGZVFWFLSA-N 2 1 356.432 3.839 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357271 947840816 /nfs/dbraw/zinc/84/08/16/947840816.db2.gz ICCAJSVJVJNONH-UHFFFAOYSA-N 2 1 353.510 3.670 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1)C(C)C ZINC000662589611 947916441 /nfs/dbraw/zinc/91/64/41/947916441.db2.gz KSOGPTJRDHXZLH-JOCHJYFZSA-N 2 1 371.569 3.769 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466147 948050269 /nfs/dbraw/zinc/05/02/69/948050269.db2.gz OOHFSTBRQCGBAV-KNQAVFIVSA-N 2 1 364.537 3.961 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466147 948050276 /nfs/dbraw/zinc/05/02/76/948050276.db2.gz OOHFSTBRQCGBAV-KNQAVFIVSA-N 2 1 364.537 3.961 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466147 948050283 /nfs/dbraw/zinc/05/02/83/948050283.db2.gz OOHFSTBRQCGBAV-KNQAVFIVSA-N 2 1 364.537 3.961 20 0 FHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467513 948054024 /nfs/dbraw/zinc/05/40/24/948054024.db2.gz GLIYCMXSZHUIEX-MJGOQNOKSA-N 2 1 357.542 3.678 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473202185 948088927 /nfs/dbraw/zinc/08/89/27/948088927.db2.gz QDVGOUROZSCHEC-RTWAWAEBSA-N 2 1 359.558 3.524 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001167822820 948093274 /nfs/dbraw/zinc/09/32/74/948093274.db2.gz ADUODCSIDINMEK-DOIPELPJSA-N 2 1 354.579 3.791 20 0 FHADMP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167824725 948112527 /nfs/dbraw/zinc/11/25/27/948112527.db2.gz FYNACJUCYUTTLM-ZWKOTPCHSA-N 2 1 355.567 3.828 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000164537590 948142358 /nfs/dbraw/zinc/14/23/58/948142358.db2.gz QEYJJMYEWYEFLD-CRAIPNDOSA-N 2 1 370.497 3.841 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833707 948232446 /nfs/dbraw/zinc/23/24/46/948232446.db2.gz DKSZSKFDQABXPD-ZWKOTPCHSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001167833783 948238232 /nfs/dbraw/zinc/23/82/32/948238232.db2.gz FDXNKPPQMWCBNO-MJGOQNOKSA-N 2 1 358.530 3.619 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624322 948261269 /nfs/dbraw/zinc/26/12/69/948261269.db2.gz IBELXZBXYGTZET-QODFHFCMSA-N 2 1 364.533 3.925 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000512041901 948273339 /nfs/dbraw/zinc/27/33/39/948273339.db2.gz VORFQBRQAOGSFU-MRXNPFEDSA-N 2 1 358.555 3.520 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001167834739 948275247 /nfs/dbraw/zinc/27/52/47/948275247.db2.gz MPFNGHSCNPRZNW-QZTJIDSGSA-N 2 1 355.567 3.828 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc12 ZINC000432406860 948349687 /nfs/dbraw/zinc/34/96/87/948349687.db2.gz JBSCLQVMRUYCME-MSOLQXFVSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc12 ZINC000432406860 948349696 /nfs/dbraw/zinc/34/96/96/948349696.db2.gz JBSCLQVMRUYCME-MSOLQXFVSA-N 2 1 356.510 4.000 20 0 FHADMP CC(C)(C)OC(=O)CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004163 948353298 /nfs/dbraw/zinc/35/32/98/948353298.db2.gz RLKZBNUEFIKVCB-YOFSQIOKSA-N 2 1 362.558 3.836 20 0 FHADMP COc1cc(OC)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c(OC)c1 ZINC000237198049 948368972 /nfs/dbraw/zinc/36/89/72/948368972.db2.gz IIJLEWGBKPNZQQ-UHFFFAOYSA-N 2 1 372.509 3.842 20 0 FHADMP COc1cc(OC)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(OC)c1 ZINC000237198049 948368977 /nfs/dbraw/zinc/36/89/77/948368977.db2.gz IIJLEWGBKPNZQQ-UHFFFAOYSA-N 2 1 372.509 3.842 20 0 FHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419959 948380576 /nfs/dbraw/zinc/38/05/76/948380576.db2.gz HKMXAQZSMJSVSS-JKSUJKDBSA-N 2 1 354.922 3.890 20 0 FHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419959 948380589 /nfs/dbraw/zinc/38/05/89/948380589.db2.gz HKMXAQZSMJSVSS-JKSUJKDBSA-N 2 1 354.922 3.890 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424073 948387290 /nfs/dbraw/zinc/38/72/90/948387290.db2.gz MTYHNMHGPVAQRX-YOEHRIQHSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424073 948387298 /nfs/dbraw/zinc/38/72/98/948387298.db2.gz MTYHNMHGPVAQRX-YOEHRIQHSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426723 948390692 /nfs/dbraw/zinc/39/06/92/948390692.db2.gz UPMPUMUQFAFZPO-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426723 948390694 /nfs/dbraw/zinc/39/06/94/948390694.db2.gz UPMPUMUQFAFZPO-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1Br ZINC000279010158 948394938 /nfs/dbraw/zinc/39/49/38/948394938.db2.gz STKARCWDJNODHN-VXGBXAGGSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1Br ZINC000279010149 948395406 /nfs/dbraw/zinc/39/54/06/948395406.db2.gz STKARCWDJNODHN-NEPJUHHUSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000192516169 948406128 /nfs/dbraw/zinc/40/61/28/948406128.db2.gz KTFBNZFQQMYHHS-VGOFRKELSA-N 2 1 351.494 3.731 20 0 FHADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372329 948424972 /nfs/dbraw/zinc/42/49/72/948424972.db2.gz MTSXIWLSHLGSGN-ZBFHGGJFSA-N 2 1 358.917 3.969 20 0 FHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168007987 948691370 /nfs/dbraw/zinc/69/13/70/948691370.db2.gz VXYUPBPVHDMHMZ-OKKQUKKRSA-N 2 1 371.544 3.910 20 0 FHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168007987 948691376 /nfs/dbraw/zinc/69/13/76/948691376.db2.gz VXYUPBPVHDMHMZ-OKKQUKKRSA-N 2 1 371.544 3.910 20 0 FHADMP COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000536475106 948701458 /nfs/dbraw/zinc/70/14/58/948701458.db2.gz DGZNNZFPIBAPLF-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@@H](C)O1 ZINC000512182559 948706498 /nfs/dbraw/zinc/70/64/98/948706498.db2.gz DKNWBSRQYBOKLB-HUUCEWRRSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185026338 948724632 /nfs/dbraw/zinc/72/46/32/948724632.db2.gz KNYNFUWCGBHEFX-KRWDZBQOSA-N 2 1 371.529 3.552 20 0 FHADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](c4nccn4C)C3)n2)ccc1F ZINC000365633798 948744080 /nfs/dbraw/zinc/74/40/80/948744080.db2.gz WSIRYEKCZILSBV-GDBMZVCRSA-N 2 1 369.444 3.858 20 0 FHADMP Cc1cc(-c2noc([C@@H](C)N3CCC[C@@H](c4nccn4C)C3)n2)ccc1F ZINC000365633798 948744087 /nfs/dbraw/zinc/74/40/87/948744087.db2.gz WSIRYEKCZILSBV-GDBMZVCRSA-N 2 1 369.444 3.858 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162774704 948767009 /nfs/dbraw/zinc/76/70/09/948767009.db2.gz HBUJYAITEOLOHJ-MRXNPFEDSA-N 2 1 357.498 3.863 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncc(F)c3)CC2)cs1 ZINC000161788836 567964775 /nfs/dbraw/zinc/96/47/75/567964775.db2.gz QZHGLSIXUTVTIF-AWEZNQCLSA-N 2 1 362.518 3.802 20 0 FHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000188584975 567972367 /nfs/dbraw/zinc/97/23/67/567972367.db2.gz IKHDOFVKPMNFBJ-IBGZPJMESA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430131 568030506 /nfs/dbraw/zinc/03/05/06/568030506.db2.gz PTSLCAOPWGAITI-HXUWFJFHSA-N 2 1 373.585 3.868 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430156 568030510 /nfs/dbraw/zinc/03/05/10/568030510.db2.gz RJWCMJNRDFUFPN-GOSISDBHSA-N 2 1 351.579 3.610 20 0 FHADMP CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cccc(Cl)c1 ZINC000365226333 568338945 /nfs/dbraw/zinc/33/89/45/568338945.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 2 1 361.961 3.938 20 0 FHADMP C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338946 /nfs/dbraw/zinc/33/89/46/568338946.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 2 1 361.961 3.938 20 0 FHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338947 /nfs/dbraw/zinc/33/89/47/568338947.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338948 /nfs/dbraw/zinc/33/89/48/568338948.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338949 /nfs/dbraw/zinc/33/89/49/568338949.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 2 1 361.961 3.938 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000365405367 568624608 /nfs/dbraw/zinc/62/46/08/568624608.db2.gz SOUNFXGMPIFQKT-GOSISDBHSA-N 2 1 374.554 3.583 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000365405367 568624609 /nfs/dbraw/zinc/62/46/09/568624609.db2.gz SOUNFXGMPIFQKT-GOSISDBHSA-N 2 1 374.554 3.583 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736197999 599337754 /nfs/dbraw/zinc/33/77/54/599337754.db2.gz OXYWQUHDLDCVPE-ROUUACIJSA-N 2 1 368.529 3.516 20 0 FHADMP Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165026842 721808718 /nfs/dbraw/zinc/80/87/18/721808718.db2.gz RQZOYQCMMCIORR-SESVDKBCSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165019706 721811475 /nfs/dbraw/zinc/81/14/75/721811475.db2.gz BLLRFOALVBYBLQ-JBACZVJFSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165019706 721811476 /nfs/dbraw/zinc/81/14/76/721811476.db2.gz BLLRFOALVBYBLQ-JBACZVJFSA-N 2 1 350.510 3.830 20 0 FHADMP COc1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)ccc1O ZINC000126001180 936318289 /nfs/dbraw/zinc/31/82/89/936318289.db2.gz XOFZMFWQFKLREO-UHFFFAOYSA-N 2 1 370.493 3.507 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000092788849 936335311 /nfs/dbraw/zinc/33/53/11/936335311.db2.gz YPKNSYFSWDQPSY-LJQANCHMSA-N 2 1 370.566 3.665 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583005201 936365668 /nfs/dbraw/zinc/36/56/68/936365668.db2.gz ORZZVLPOKNWWMJ-FCLXEUQJSA-N 2 1 369.431 3.637 20 0 FHADMP CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000150725656 937078553 /nfs/dbraw/zinc/07/85/53/937078553.db2.gz XBBBYJNBYGCCDZ-HXUWFJFHSA-N 2 1 373.541 3.502 20 0 FHADMP CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000150725656 937078556 /nfs/dbraw/zinc/07/85/56/937078556.db2.gz XBBBYJNBYGCCDZ-HXUWFJFHSA-N 2 1 373.541 3.502 20 0 FHADMP C[C@H]([NH2+]C1(C[NH2+]C2CCC3(CC2)OCCO3)CCCC1)c1ccccc1 ZINC000161531670 937128846 /nfs/dbraw/zinc/12/88/46/937128846.db2.gz LXSIOWBVDHKYDH-SFHVURJKSA-N 2 1 358.526 3.925 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000317148736 927154533 /nfs/dbraw/zinc/15/45/33/927154533.db2.gz GBHVWEZEDGGBEL-INMHGKMJSA-N 2 1 365.315 3.879 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317148736 927154543 /nfs/dbraw/zinc/15/45/43/927154543.db2.gz GBHVWEZEDGGBEL-INMHGKMJSA-N 2 1 365.315 3.879 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C4CC4)cc3)CC2)CC1 ZINC000654980731 927734825 /nfs/dbraw/zinc/73/48/25/927734825.db2.gz RFKWODBPDPTAQX-UHFFFAOYSA-N 2 1 355.526 3.699 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510078212 927822960 /nfs/dbraw/zinc/82/29/60/927822960.db2.gz YIHRZOJGNAFPDL-VQTJNVASSA-N 2 1 359.558 3.570 20 0 FHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471168570 928439767 /nfs/dbraw/zinc/43/97/67/928439767.db2.gz IOHXQKXQBFIKNN-GOSISDBHSA-N 2 1 371.500 3.649 20 0 FHADMP C[C@H](c1ccccc1F)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471169287 928461633 /nfs/dbraw/zinc/46/16/33/928461633.db2.gz LWVDJDYKJXNKMI-GOSISDBHSA-N 2 1 371.500 3.649 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154460192 928851447 /nfs/dbraw/zinc/85/14/47/928851447.db2.gz LNHOJWQHWFKTKG-MRXNPFEDSA-N 2 1 373.463 3.654 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154495057 928861033 /nfs/dbraw/zinc/86/10/33/928861033.db2.gz UZKFYRZZBUDINL-QZTJIDSGSA-N 2 1 374.598 3.796 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000154514943 928887685 /nfs/dbraw/zinc/88/76/85/928887685.db2.gz GHIZFXLEMNAGFN-INIZCTEOSA-N 2 1 357.464 3.774 20 0 FHADMP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894901 928907012 /nfs/dbraw/zinc/90/70/12/928907012.db2.gz WZNMPYTYLCYFFO-ATLSCFEFSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894901 928907019 /nfs/dbraw/zinc/90/70/19/928907019.db2.gz WZNMPYTYLCYFFO-ATLSCFEFSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894901 928907026 /nfs/dbraw/zinc/90/70/26/928907026.db2.gz WZNMPYTYLCYFFO-ATLSCFEFSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894901 928907034 /nfs/dbraw/zinc/90/70/34/928907034.db2.gz WZNMPYTYLCYFFO-ATLSCFEFSA-N 2 1 355.448 3.812 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442490 929165709 /nfs/dbraw/zinc/16/57/09/929165709.db2.gz RDHPSMOANRFAGR-UGKGYDQZSA-N 2 1 355.526 3.779 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196379 929417221 /nfs/dbraw/zinc/41/72/21/929417221.db2.gz VQXKUHNHDTZOQQ-HIFRSBDPSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196379 929417373 /nfs/dbraw/zinc/41/73/73/929417373.db2.gz VQXKUHNHDTZOQQ-HIFRSBDPSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196379 929417382 /nfs/dbraw/zinc/41/73/82/929417382.db2.gz VQXKUHNHDTZOQQ-HIFRSBDPSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196379 929417398 /nfs/dbraw/zinc/41/73/98/929417398.db2.gz VQXKUHNHDTZOQQ-HIFRSBDPSA-N 2 1 362.315 3.912 20 0 FHADMP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167310522 929631806 /nfs/dbraw/zinc/63/18/06/929631806.db2.gz VLPDZKTVSZUCEE-JOCHJYFZSA-N 2 1 366.505 3.865 20 0 FHADMP COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167310522 929631813 /nfs/dbraw/zinc/63/18/13/929631813.db2.gz VLPDZKTVSZUCEE-JOCHJYFZSA-N 2 1 366.505 3.865 20 0 FHADMP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122626871 929829477 /nfs/dbraw/zinc/82/94/77/929829477.db2.gz RZZCTMOLNASHCL-GOSISDBHSA-N 2 1 357.517 3.782 20 0 FHADMP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000683722849 929923141 /nfs/dbraw/zinc/92/31/41/929923141.db2.gz KTQOSLJMIQXCJE-QFIPXVFZSA-N 2 1 368.496 3.685 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683833081 930355047 /nfs/dbraw/zinc/35/50/47/930355047.db2.gz SLAKOADPMYLKTQ-UHFFFAOYSA-N 2 1 355.526 3.805 20 0 FHADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(-c2ccccc2)c1 ZINC000580314141 930483345 /nfs/dbraw/zinc/48/33/45/930483345.db2.gz AWNIVRLDZAMLAV-MRXNPFEDSA-N 2 1 361.493 3.790 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)c1 ZINC000119042096 930575812 /nfs/dbraw/zinc/57/58/12/930575812.db2.gz HBWFKDJVBIFNQS-GOSISDBHSA-N 2 1 374.916 3.883 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043490 930576176 /nfs/dbraw/zinc/57/61/76/930576176.db2.gz BKHIXIMATKIZBV-GOSISDBHSA-N 2 1 374.916 3.883 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043320 930576283 /nfs/dbraw/zinc/57/62/83/930576283.db2.gz BKHIXIMATKIZBV-SFHVURJKSA-N 2 1 374.916 3.883 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125181484 930584383 /nfs/dbraw/zinc/58/43/83/930584383.db2.gz DBGBEQNCBPBNDT-HMFYCAOWSA-N 2 1 362.521 3.903 20 0 FHADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381349 930597935 /nfs/dbraw/zinc/59/79/35/930597935.db2.gz ZGYNVMJXPKXTOW-FUHWJXTLSA-N 2 1 372.475 3.707 20 0 FHADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381349 930597940 /nfs/dbraw/zinc/59/79/40/930597940.db2.gz ZGYNVMJXPKXTOW-FUHWJXTLSA-N 2 1 372.475 3.707 20 0 FHADMP Cc1cc(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)[nH]1 ZINC000312916943 930881124 /nfs/dbraw/zinc/88/11/24/930881124.db2.gz CEXZDEXQPGOUJM-UHFFFAOYSA-N 2 1 365.521 3.802 20 0 FHADMP Cc1cc(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)[nH]1 ZINC000312916943 930881134 /nfs/dbraw/zinc/88/11/34/930881134.db2.gz CEXZDEXQPGOUJM-UHFFFAOYSA-N 2 1 365.521 3.802 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000047973395 930929462 /nfs/dbraw/zinc/92/94/62/930929462.db2.gz PLGMFZGODWLIKA-UHFFFAOYSA-N 2 1 362.905 3.944 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424284 930939637 /nfs/dbraw/zinc/93/96/37/930939637.db2.gz GIMWDSOROLLANK-VAMGGRTRSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424284 930939645 /nfs/dbraw/zinc/93/96/45/930939645.db2.gz GIMWDSOROLLANK-VAMGGRTRSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424284 930939651 /nfs/dbraw/zinc/93/96/51/930939651.db2.gz GIMWDSOROLLANK-VAMGGRTRSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424284 930939662 /nfs/dbraw/zinc/93/96/62/930939662.db2.gz GIMWDSOROLLANK-VAMGGRTRSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424282 930940082 /nfs/dbraw/zinc/94/00/82/930940082.db2.gz GIMWDSOROLLANK-AQNXPRMDSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424282 930940088 /nfs/dbraw/zinc/94/00/88/930940088.db2.gz GIMWDSOROLLANK-AQNXPRMDSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424282 930940095 /nfs/dbraw/zinc/94/00/95/930940095.db2.gz GIMWDSOROLLANK-AQNXPRMDSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001167424282 930940099 /nfs/dbraw/zinc/94/00/99/930940099.db2.gz GIMWDSOROLLANK-AQNXPRMDSA-N 2 1 350.547 3.649 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581101197 931565864 /nfs/dbraw/zinc/56/58/64/931565864.db2.gz WSTRPHHLNHOKBA-PKTZIBPZSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581101197 931565869 /nfs/dbraw/zinc/56/58/69/931565869.db2.gz WSTRPHHLNHOKBA-PKTZIBPZSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581101197 931565875 /nfs/dbraw/zinc/56/58/75/931565875.db2.gz WSTRPHHLNHOKBA-PKTZIBPZSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581101197 931565878 /nfs/dbraw/zinc/56/58/78/931565878.db2.gz WSTRPHHLNHOKBA-PKTZIBPZSA-N 2 1 372.516 3.826 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC[C@H]2CCOC2)cc1 ZINC000656405639 931602301 /nfs/dbraw/zinc/60/23/01/931602301.db2.gz JZLCAIPOVXODAE-JFCAZQBUSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@H]2CCOC2)cc1 ZINC000656405639 931602304 /nfs/dbraw/zinc/60/23/04/931602304.db2.gz JZLCAIPOVXODAE-JFCAZQBUSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@H]2CCOC2)cc1 ZINC000656405639 931602309 /nfs/dbraw/zinc/60/23/09/931602309.db2.gz JZLCAIPOVXODAE-JFCAZQBUSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCOc3ccccc3)C2)cc1 ZINC000656406678 931603427 /nfs/dbraw/zinc/60/34/27/931603427.db2.gz VXAODDJTKGHXQT-BIHRQFPBSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCOc3ccccc3)C2)cc1 ZINC000656406678 931603430 /nfs/dbraw/zinc/60/34/30/931603430.db2.gz VXAODDJTKGHXQT-BIHRQFPBSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCOc3ccccc3)C2)cc1 ZINC000656406678 931603432 /nfs/dbraw/zinc/60/34/32/931603432.db2.gz VXAODDJTKGHXQT-BIHRQFPBSA-N 2 1 362.517 3.908 20 0 FHADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)c1 ZINC000581207097 931674049 /nfs/dbraw/zinc/67/40/49/931674049.db2.gz YNOFYAACSRBXRM-HBMCJLEFSA-N 2 1 367.493 3.845 20 0 FHADMP COCCNc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155307 931709549 /nfs/dbraw/zinc/70/95/49/931709549.db2.gz RRYNRDDFCYMGHF-UGKGYDQZSA-N 2 1 367.537 3.745 20 0 FHADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000581243360 931729518 /nfs/dbraw/zinc/72/95/18/931729518.db2.gz DDZBYJWVFPBOGN-KBXCAEBGSA-N 2 1 374.916 3.839 20 0 FHADMP C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156333 931729556 /nfs/dbraw/zinc/72/95/56/931729556.db2.gz IOFONQSDDWWNLY-NFBKMPQASA-N 2 1 374.532 3.915 20 0 FHADMP FC(F)(F)c1cccc(OCCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000430557788 931829874 /nfs/dbraw/zinc/82/98/74/931829874.db2.gz XDKRVAYTBCHKMY-UHFFFAOYSA-N 2 1 356.432 3.938 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569250 931905935 /nfs/dbraw/zinc/90/59/35/931905935.db2.gz HFTASEGPTCIBKM-QZTJIDSGSA-N 2 1 367.493 3.867 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576135 931934353 /nfs/dbraw/zinc/93/43/53/931934353.db2.gz RQZVGGMOPUNIAJ-CUWPLCDZSA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576135 931934359 /nfs/dbraw/zinc/93/43/59/931934359.db2.gz RQZVGGMOPUNIAJ-CUWPLCDZSA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163158 931974406 /nfs/dbraw/zinc/97/44/06/931974406.db2.gz YTSGAYONLOXJHK-FBBABVLZSA-N 2 1 357.567 3.851 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000656782016 932410881 /nfs/dbraw/zinc/41/08/81/932410881.db2.gz CPJIDOFKXZZOHP-QFIPXVFZSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781929 932411029 /nfs/dbraw/zinc/41/10/29/932411029.db2.gz AAMUIDRLGZJHLC-NRFANRHFSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)nc1 ZINC000656784534 932418969 /nfs/dbraw/zinc/41/89/69/932418969.db2.gz DSMNMVLHZAICHY-NRFANRHFSA-N 2 1 365.521 3.872 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000656785520 932420802 /nfs/dbraw/zinc/42/08/02/932420802.db2.gz LJQMRJFSOIVXOY-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CCCC1 ZINC000656788721 932425958 /nfs/dbraw/zinc/42/59/58/932425958.db2.gz BQPMCZAHSJRRID-UHFFFAOYSA-N 2 1 357.885 3.953 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCCC1 ZINC000656789725 932426847 /nfs/dbraw/zinc/42/68/47/932426847.db2.gz WKZHOTAVUHYLAD-UHFFFAOYSA-N 2 1 357.885 3.953 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689566 932507216 /nfs/dbraw/zinc/50/72/16/932507216.db2.gz XMKORRXDFPTDBN-KBPBESRZSA-N 2 1 357.311 3.839 20 0 FHADMP c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)cc1 ZINC001167482761 932654297 /nfs/dbraw/zinc/65/42/97/932654297.db2.gz QHRJRWSIEPAAOR-QHCPKHFHSA-N 2 1 350.506 3.583 20 0 FHADMP c1ccc(C[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001167482761 932654299 /nfs/dbraw/zinc/65/42/99/932654299.db2.gz QHRJRWSIEPAAOR-QHCPKHFHSA-N 2 1 350.506 3.583 20 0 FHADMP c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001167482761 932654308 /nfs/dbraw/zinc/65/43/08/932654308.db2.gz QHRJRWSIEPAAOR-QHCPKHFHSA-N 2 1 350.506 3.583 20 0 FHADMP Cc1cccn2cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)nc12 ZINC000647188796 932808251 /nfs/dbraw/zinc/80/82/51/932808251.db2.gz KCJUHIPTHBUFOT-NRFANRHFSA-N 2 1 374.532 3.972 20 0 FHADMP Cc1cccn2cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc12 ZINC000647188796 932808256 /nfs/dbraw/zinc/80/82/56/932808256.db2.gz KCJUHIPTHBUFOT-NRFANRHFSA-N 2 1 374.532 3.972 20 0 FHADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000471806569 932985404 /nfs/dbraw/zinc/98/54/04/932985404.db2.gz ZKNPXZHHZRLGNV-OAQYLSRUSA-N 2 1 359.558 3.654 20 0 FHADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117611 933010847 /nfs/dbraw/zinc/01/08/47/933010847.db2.gz GLIOOYSTDOJXMS-KURKYZTESA-N 2 1 353.551 3.629 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000548336996 933015923 /nfs/dbraw/zinc/01/59/23/933015923.db2.gz ROYXGJAGTJERNT-OAHLLOKOSA-N 2 1 372.900 3.609 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829934 933072527 /nfs/dbraw/zinc/07/25/27/933072527.db2.gz GVBXGGMBGORFHQ-ZWKOTPCHSA-N 2 1 358.448 3.628 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581942879 933092131 /nfs/dbraw/zinc/09/21/31/933092131.db2.gz AEGWTLXFQUINET-JOCHJYFZSA-N 2 1 363.505 3.932 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581942879 933092137 /nfs/dbraw/zinc/09/21/37/933092137.db2.gz AEGWTLXFQUINET-JOCHJYFZSA-N 2 1 363.505 3.932 20 0 FHADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854958 933155220 /nfs/dbraw/zinc/15/52/20/933155220.db2.gz CPJUATWKYYOETQ-GGAORHGYSA-N 2 1 365.521 3.817 20 0 FHADMP Cn1nccc1[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000510646639 933344868 /nfs/dbraw/zinc/34/48/68/933344868.db2.gz RDHCEZRXKIGMQY-HXUWFJFHSA-N 2 1 354.542 3.758 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)CCc3c(F)cccc3F)CC2)nc(C)[nH+]1 ZINC000510662925 933387969 /nfs/dbraw/zinc/38/79/69/933387969.db2.gz INOASGSASITQJS-AWEZNQCLSA-N 2 1 374.479 3.951 20 0 FHADMP C[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430918465 933405533 /nfs/dbraw/zinc/40/55/33/933405533.db2.gz NAEOYLBCTLLWBU-HXUWFJFHSA-N 2 1 357.586 3.918 20 0 FHADMP C[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430918465 933405539 /nfs/dbraw/zinc/40/55/39/933405539.db2.gz NAEOYLBCTLLWBU-HXUWFJFHSA-N 3 1 357.586 3.918 20 0 FHADMP C[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430918465 933405547 /nfs/dbraw/zinc/40/55/47/933405547.db2.gz NAEOYLBCTLLWBU-HXUWFJFHSA-N 3 1 357.586 3.918 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430913409 933409696 /nfs/dbraw/zinc/40/96/96/933409696.db2.gz UVSNOUUVDZCMTG-FCHUYYIVSA-N 2 1 371.569 3.655 20 0 FHADMP Cc1cc(OCCC[C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000510721446 933527406 /nfs/dbraw/zinc/52/74/06/933527406.db2.gz MUFCECHHJVPRQH-KRWDZBQOSA-N 2 1 368.949 3.632 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)cc1 ZINC000510797223 933754013 /nfs/dbraw/zinc/75/40/13/933754013.db2.gz LSYMIKFNCYGGJG-OALUTQOASA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000510797223 933754015 /nfs/dbraw/zinc/75/40/15/933754015.db2.gz LSYMIKFNCYGGJG-OALUTQOASA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000510797223 933754021 /nfs/dbraw/zinc/75/40/21/933754021.db2.gz LSYMIKFNCYGGJG-OALUTQOASA-N 2 1 359.558 3.769 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)cc1 ZINC000510797220 933754203 /nfs/dbraw/zinc/75/42/03/933754203.db2.gz LSYMIKFNCYGGJG-MOPGFXCFSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000510797220 933754206 /nfs/dbraw/zinc/75/42/06/933754206.db2.gz LSYMIKFNCYGGJG-MOPGFXCFSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000510797220 933754214 /nfs/dbraw/zinc/75/42/14/933754214.db2.gz LSYMIKFNCYGGJG-MOPGFXCFSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)cc1 ZINC000510797226 933754493 /nfs/dbraw/zinc/75/44/93/933754493.db2.gz LSYMIKFNCYGGJG-RTBURBONSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000510797226 933754505 /nfs/dbraw/zinc/75/45/05/933754505.db2.gz LSYMIKFNCYGGJG-RTBURBONSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000510797226 933754509 /nfs/dbraw/zinc/75/45/09/933754509.db2.gz LSYMIKFNCYGGJG-RTBURBONSA-N 2 1 359.558 3.769 20 0 FHADMP C[C@H](Cn1cccn1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937559 934187178 /nfs/dbraw/zinc/18/71/78/934187178.db2.gz ZBGZBPBWMDQYPZ-WTIAFYNJSA-N 2 1 360.505 3.529 20 0 FHADMP C[C@H](Cn1cccn1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937559 934187181 /nfs/dbraw/zinc/18/71/81/934187181.db2.gz ZBGZBPBWMDQYPZ-WTIAFYNJSA-N 2 1 360.505 3.529 20 0 FHADMP COC(=O)c1coc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535676765 934256967 /nfs/dbraw/zinc/25/69/67/934256967.db2.gz SZDKOMQFRLGKNF-UHFFFAOYSA-N 2 1 368.477 3.554 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799771 934426147 /nfs/dbraw/zinc/42/61/47/934426147.db2.gz QCTKCWSUHCNFKE-XJKSGUPXSA-N 2 1 372.294 3.674 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180974333 934465410 /nfs/dbraw/zinc/46/54/10/934465410.db2.gz DPEATCTVGINMHL-UWJYYQICSA-N 2 1 358.505 3.606 20 0 FHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472109957 935053345 /nfs/dbraw/zinc/05/33/45/935053345.db2.gz FXADVXDDOAXTDH-FPOVZHCZSA-N 2 1 374.573 3.585 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824967 945080765 /nfs/dbraw/zinc/08/07/65/945080765.db2.gz ACDIUJXCTIGTPI-UZUQRXQVSA-N 2 1 366.505 3.780 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000157915377 935228682 /nfs/dbraw/zinc/22/86/82/935228682.db2.gz LSLUDFYCEDGEBU-MSOLQXFVSA-N 2 1 359.514 3.806 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000157948934 935234776 /nfs/dbraw/zinc/23/47/76/935234776.db2.gz DXRTZXGLGRWHBT-MVBMGLOESA-N 2 1 369.553 3.921 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657338724 935273287 /nfs/dbraw/zinc/27/32/87/935273287.db2.gz TVTSUVVAWNIQBN-ZDUSSCGKSA-N 2 1 372.460 3.502 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657338724 935273292 /nfs/dbraw/zinc/27/32/92/935273292.db2.gz TVTSUVVAWNIQBN-ZDUSSCGKSA-N 2 1 372.460 3.502 20 0 FHADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554329 935389653 /nfs/dbraw/zinc/38/96/53/935389653.db2.gz NVBZDUAEWFQHSM-DHIUTWEWSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554329 935389658 /nfs/dbraw/zinc/38/96/58/935389658.db2.gz NVBZDUAEWFQHSM-DHIUTWEWSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554329 935389663 /nfs/dbraw/zinc/38/96/63/935389663.db2.gz NVBZDUAEWFQHSM-DHIUTWEWSA-N 2 1 356.554 3.916 20 0 FHADMP CCCCCNC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161194465 935443108 /nfs/dbraw/zinc/44/31/08/935443108.db2.gz SNZFSHYBZMWMDN-SFHVURJKSA-N 2 1 374.573 3.571 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122645 945108875 /nfs/dbraw/zinc/10/88/75/945108875.db2.gz DJOAVTHMMNDZGR-FXAWDEMLSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122645 945108879 /nfs/dbraw/zinc/10/88/79/945108879.db2.gz DJOAVTHMMNDZGR-FXAWDEMLSA-N 2 1 369.896 3.776 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccc(O)cc3)CC2)cs1 ZINC000511106462 935585289 /nfs/dbraw/zinc/58/52/89/935585289.db2.gz IIMWQCXZKRNGSP-MRXNPFEDSA-N 2 1 373.566 3.844 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963993 945113285 /nfs/dbraw/zinc/11/32/85/945113285.db2.gz WCLNZGOHDFSLPG-SVFBPWRDSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000439963993 945113293 /nfs/dbraw/zinc/11/32/93/945113293.db2.gz WCLNZGOHDFSLPG-SVFBPWRDSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000439963993 945113301 /nfs/dbraw/zinc/11/33/01/945113301.db2.gz WCLNZGOHDFSLPG-SVFBPWRDSA-N 2 1 361.574 3.506 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000657431342 935715420 /nfs/dbraw/zinc/71/54/20/935715420.db2.gz ZWKMHSZZRSROPC-NSHGMRRFSA-N 2 1 360.542 3.843 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1)C1CC1 ZINC000511132754 935753151 /nfs/dbraw/zinc/75/31/51/935753151.db2.gz UMLWNHGLBPPHNQ-UHFFFAOYSA-N 2 1 365.521 3.663 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161291354 935777500 /nfs/dbraw/zinc/77/75/00/935777500.db2.gz ISZUBXITYDICMA-GOSISDBHSA-N 2 1 358.526 3.694 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000159017973 935783880 /nfs/dbraw/zinc/78/38/80/935783880.db2.gz IURJOFZMKJWELH-IRXDYDNUSA-N 2 1 356.489 3.774 20 0 FHADMP CCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000261784354 935805270 /nfs/dbraw/zinc/80/52/70/935805270.db2.gz SJOWMKNQQTVGJX-UHFFFAOYSA-N 2 1 358.313 3.786 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000516679228 945125439 /nfs/dbraw/zinc/12/54/39/945125439.db2.gz LRVOHXISRZMYGI-UTKZUKDTSA-N 2 1 355.526 3.536 20 0 FHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152863222 935872776 /nfs/dbraw/zinc/87/27/76/935872776.db2.gz ZYOFGPLNNNQLOB-RBUKOAKNSA-N 2 1 367.537 3.879 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4cccnc43)CC2)oc1C ZINC000684955461 935897826 /nfs/dbraw/zinc/89/78/26/935897826.db2.gz MTWYCBAZKHDSFA-LJQANCHMSA-N 2 1 354.498 3.566 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@@H]2CCC[C@H]21 ZINC000582658206 935916040 /nfs/dbraw/zinc/91/60/40/935916040.db2.gz UIZFHEICEBGZEF-KNXALSJPSA-N 2 1 359.258 3.690 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@@H]2CCC[C@H]21 ZINC000582658206 935916042 /nfs/dbraw/zinc/91/60/42/935916042.db2.gz UIZFHEICEBGZEF-KNXALSJPSA-N 2 1 359.258 3.690 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000582660585 935920875 /nfs/dbraw/zinc/92/08/75/935920875.db2.gz KBQNCKLHMOLJJS-YHYVQYDKSA-N 2 1 372.940 3.886 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000582660585 935920877 /nfs/dbraw/zinc/92/08/77/935920877.db2.gz KBQNCKLHMOLJJS-YHYVQYDKSA-N 2 1 372.940 3.886 20 0 FHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237472300 936068865 /nfs/dbraw/zinc/06/88/65/936068865.db2.gz YIEIFSMVFXYPCH-MOPGFXCFSA-N 2 1 371.569 3.561 20 0 FHADMP CC(C)COc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596541 936072612 /nfs/dbraw/zinc/07/26/12/936072612.db2.gz NYROQFWLQUIFKS-QFIPXVFZSA-N 2 1 368.521 3.578 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597228 936072897 /nfs/dbraw/zinc/07/28/97/936072897.db2.gz RBEFFKREFSPOPK-VQTJNVASSA-N 2 1 370.924 3.554 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CSC2 ZINC000657641680 936136999 /nfs/dbraw/zinc/13/69/99/936136999.db2.gz JNCYUNINDBCWDL-BFYDXBDKSA-N 2 1 367.356 3.953 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CSC2 ZINC000657641680 936137003 /nfs/dbraw/zinc/13/70/03/936137003.db2.gz JNCYUNINDBCWDL-BFYDXBDKSA-N 2 1 367.356 3.953 20 0 FHADMP C[C@H](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000262671042 936211093 /nfs/dbraw/zinc/21/10/93/936211093.db2.gz NWDOZORSBXOUPD-KNKQGSTJSA-N 2 1 371.569 3.703 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000583472445 938269255 /nfs/dbraw/zinc/26/92/55/938269255.db2.gz IRXZFFLOSQLRSE-VXKWHMMOSA-N 2 1 371.569 3.608 20 0 FHADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705326 938282820 /nfs/dbraw/zinc/28/28/20/938282820.db2.gz DLZLWELYHIFQMA-SPEDKVCISA-N 2 1 354.494 3.567 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000650705982 938284734 /nfs/dbraw/zinc/28/47/34/938284734.db2.gz BKESZVPBYVNSMC-WOIUINJBSA-N 2 1 358.526 3.726 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)C1 ZINC000650706166 938285194 /nfs/dbraw/zinc/28/51/94/938285194.db2.gz FNWHBSUUBGLSDM-XGWLTEMNSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)C1 ZINC000650707326 938289399 /nfs/dbraw/zinc/28/93/99/938289399.db2.gz CVQBCEZTMHRCJA-KYOSRNDESA-N 2 1 361.288 3.851 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)C1 ZINC000650707326 938289400 /nfs/dbraw/zinc/28/94/00/938289400.db2.gz CVQBCEZTMHRCJA-KYOSRNDESA-N 2 1 361.288 3.851 20 0 FHADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000583567389 938305492 /nfs/dbraw/zinc/30/54/92/938305492.db2.gz VGBRHICUTIUSGR-GOSISDBHSA-N 2 1 365.521 3.933 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718667 938306210 /nfs/dbraw/zinc/30/62/10/938306210.db2.gz SFRIXNGXGZMSGY-UHFFFAOYSA-N 2 1 366.484 3.744 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000650722292 938309603 /nfs/dbraw/zinc/30/96/03/938309603.db2.gz OSYWSZULCVSJIM-MFMILTCTSA-N 2 1 358.457 3.947 20 0 FHADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773509 938311325 /nfs/dbraw/zinc/31/13/25/938311325.db2.gz RUALXYPWJADSRW-NRFANRHFSA-N 2 1 366.553 3.931 20 0 FHADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773509 938311326 /nfs/dbraw/zinc/31/13/26/938311326.db2.gz RUALXYPWJADSRW-NRFANRHFSA-N 2 1 366.553 3.931 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000728572175 938332243 /nfs/dbraw/zinc/33/22/43/938332243.db2.gz UDLPJIXBIPJNEK-SFHVURJKSA-N 2 1 369.347 3.535 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583660559 938345004 /nfs/dbraw/zinc/34/50/04/938345004.db2.gz CEIZVNBUFGYQQN-WIYYLYMNSA-N 3 1 369.528 3.888 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000583693148 938360670 /nfs/dbraw/zinc/36/06/70/938360670.db2.gz AAXXFTHTMYUHIT-WMQCIHAUSA-N 2 1 372.944 3.761 20 0 FHADMP [NH3+]C1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCCCC1 ZINC000583752816 938390826 /nfs/dbraw/zinc/39/08/26/938390826.db2.gz DBWWQYKKQGZAKO-GOSISDBHSA-N 2 1 372.557 3.661 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828235 938433909 /nfs/dbraw/zinc/43/39/09/938433909.db2.gz RPRIJSPHAPURAL-ARFHVFGLSA-N 2 1 372.431 3.599 20 0 FHADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516714358 945177805 /nfs/dbraw/zinc/17/78/05/945177805.db2.gz LEDVSNXYRZMCOT-LBVMUVSTSA-N 2 1 352.522 3.651 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)[C@H](C)C1 ZINC000650761129 938440228 /nfs/dbraw/zinc/44/02/28/938440228.db2.gz SOJBHNHELHZYJT-NRSPTQNISA-N 2 1 359.558 3.530 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538278 945179599 /nfs/dbraw/zinc/17/95/99/945179599.db2.gz NSGKJOWLLBLZDS-SQNIBIBYSA-N 2 1 358.448 3.632 20 0 FHADMP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1F ZINC000583958653 938504682 /nfs/dbraw/zinc/50/46/82/938504682.db2.gz WDSHVUHLZRFETB-IBGZPJMESA-N 2 1 363.452 3.931 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000583985617 938519256 /nfs/dbraw/zinc/51/92/56/938519256.db2.gz ILXGKWQRDBTMEK-HKBOAZHASA-N 2 1 351.494 3.623 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCc1cccs1 ZINC000583994631 938523976 /nfs/dbraw/zinc/52/39/76/938523976.db2.gz JCCKLEOYVSUHLZ-HDICACEKSA-N 2 1 372.534 3.767 20 0 FHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657819345 938552557 /nfs/dbraw/zinc/55/25/57/938552557.db2.gz VTQURPFXUOQVHB-WBVHZDCISA-N 2 1 370.522 3.529 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819135 938553145 /nfs/dbraw/zinc/55/31/45/938553145.db2.gz QBFDWICKZYMIFX-VLCRHTCISA-N 2 1 350.506 3.895 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819135 938553147 /nfs/dbraw/zinc/55/31/47/938553147.db2.gz QBFDWICKZYMIFX-VLCRHTCISA-N 2 1 350.506 3.895 20 0 FHADMP Cc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1C[NH+](C)C ZINC000584301292 938677258 /nfs/dbraw/zinc/67/72/58/938677258.db2.gz PUVYSPYDLNGRLU-LJQANCHMSA-N 2 1 359.901 3.951 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302095 938677517 /nfs/dbraw/zinc/67/75/17/938677517.db2.gz RYOZKHSTTYNDMM-QXCFHYIPSA-N 2 1 369.475 3.948 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302095 938677518 /nfs/dbraw/zinc/67/75/18/938677518.db2.gz RYOZKHSTTYNDMM-QXCFHYIPSA-N 2 1 369.475 3.948 20 0 FHADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000584346556 938694223 /nfs/dbraw/zinc/69/42/23/938694223.db2.gz PYPKIZGSIATXOM-DENIHFKCSA-N 2 1 368.521 3.550 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC34CCCCC4)CC2)CC1 ZINC000584359949 938703783 /nfs/dbraw/zinc/70/37/83/938703783.db2.gz SFNHEBVDMWSFID-UHFFFAOYSA-N 2 1 361.574 3.508 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000081444140 938788878 /nfs/dbraw/zinc/78/88/78/938788878.db2.gz NBUPYZIHOHAFCY-IBGZPJMESA-N 2 1 368.525 3.520 20 0 FHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000081444140 938788880 /nfs/dbraw/zinc/78/88/80/938788880.db2.gz NBUPYZIHOHAFCY-IBGZPJMESA-N 2 1 368.525 3.520 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000708530087 938802560 /nfs/dbraw/zinc/80/25/60/938802560.db2.gz WLWOEVXNYJJASM-NRSPTQNISA-N 2 1 350.506 3.910 20 0 FHADMP CCn1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(C)n1 ZINC000892379563 938807202 /nfs/dbraw/zinc/80/72/02/938807202.db2.gz FJPHGIGGMGKDBJ-UHFFFAOYSA-N 2 1 355.530 3.602 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000090708789 938882033 /nfs/dbraw/zinc/88/20/33/938882033.db2.gz WXCIMJSATJOPJU-QZUYBOIVSA-N 2 1 370.562 3.985 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414900912 945213949 /nfs/dbraw/zinc/21/39/49/945213949.db2.gz FLSLNVZOFMDSNW-FUHWJXTLSA-N 2 1 369.513 3.694 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000092043331 938910049 /nfs/dbraw/zinc/91/00/49/938910049.db2.gz WPLBAGLODGWZAR-HOTGVXAUSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000092043331 938910051 /nfs/dbraw/zinc/91/00/51/938910051.db2.gz WPLBAGLODGWZAR-HOTGVXAUSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000092043331 938910052 /nfs/dbraw/zinc/91/00/52/938910052.db2.gz WPLBAGLODGWZAR-HOTGVXAUSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000092043331 938910054 /nfs/dbraw/zinc/91/00/54/938910054.db2.gz WPLBAGLODGWZAR-HOTGVXAUSA-N 2 1 372.431 3.552 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708551218 938917892 /nfs/dbraw/zinc/91/78/92/938917892.db2.gz JTLILWLUWBEJNS-YLJYHZDGSA-N 2 1 354.494 3.562 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708551218 938917893 /nfs/dbraw/zinc/91/78/93/938917893.db2.gz JTLILWLUWBEJNS-YLJYHZDGSA-N 2 1 354.494 3.562 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cn3)CC2)cs1 ZINC000092748388 938921246 /nfs/dbraw/zinc/92/12/46/938921246.db2.gz FMQUNEQSDBXYNI-CQSZACIVSA-N 2 1 362.518 3.802 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746415 938921269 /nfs/dbraw/zinc/92/12/69/938921269.db2.gz BWMBJPNHQSHCBQ-HZPDHXFCSA-N 2 1 374.479 3.914 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319087 938924516 /nfs/dbraw/zinc/92/45/16/938924516.db2.gz ZBRLJITXLGZBOF-MRXNPFEDSA-N 2 1 368.403 3.539 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319087 938924520 /nfs/dbraw/zinc/92/45/20/938924520.db2.gz ZBRLJITXLGZBOF-MRXNPFEDSA-N 2 1 368.403 3.539 20 0 FHADMP CC(C)c1ncc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000093844202 938930795 /nfs/dbraw/zinc/93/07/95/938930795.db2.gz YKBKFBFRVQLZCJ-CALCHBBNSA-N 2 1 365.587 3.978 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000138020076 938955665 /nfs/dbraw/zinc/95/56/65/938955665.db2.gz RZOLTENTIQWLCC-RYRKJORJSA-N 2 1 364.534 3.595 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000657877757 938965773 /nfs/dbraw/zinc/96/57/73/938965773.db2.gz DFOKBYHQOMGHIA-AVAPBHFXSA-N 2 1 372.553 3.603 20 0 FHADMP CN(C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428167 938985421 /nfs/dbraw/zinc/98/54/21/938985421.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428167 938985422 /nfs/dbraw/zinc/98/54/22/938985422.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428167 938985423 /nfs/dbraw/zinc/98/54/23/938985423.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 1 372.459 3.547 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)CC1 ZINC000685462836 938988674 /nfs/dbraw/zinc/98/86/74/938988674.db2.gz OYNRGXWGGLACPY-IBGZPJMESA-N 2 1 372.944 3.749 20 0 FHADMP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000080339316 939000369 /nfs/dbraw/zinc/00/03/69/939000369.db2.gz PIQWBOGYYKMYDB-XLIONFOSSA-N 2 1 354.494 3.847 20 0 FHADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000080339316 939000370 /nfs/dbraw/zinc/00/03/70/939000370.db2.gz PIQWBOGYYKMYDB-XLIONFOSSA-N 2 1 354.494 3.847 20 0 FHADMP Cc1cnc(C(C)(C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000080346697 939000493 /nfs/dbraw/zinc/00/04/93/939000493.db2.gz VWOQKNRXEWXPNF-UHFFFAOYSA-N 2 1 359.539 3.951 20 0 FHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000131392400 939001509 /nfs/dbraw/zinc/00/15/09/939001509.db2.gz KVICBQOYCUZKFK-KRWDZBQOSA-N 2 1 366.509 3.997 20 0 FHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000131392400 939001510 /nfs/dbraw/zinc/00/15/10/939001510.db2.gz KVICBQOYCUZKFK-KRWDZBQOSA-N 2 1 366.509 3.997 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000685646317 939008116 /nfs/dbraw/zinc/00/81/16/939008116.db2.gz MTXCOXNCUOPFOI-PKOBYXMFSA-N 2 1 354.494 3.964 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)C1 ZINC000658136710 939030432 /nfs/dbraw/zinc/03/04/32/939030432.db2.gz IZDSGVZXEYZOCG-WQMHRJNTSA-N 2 1 372.553 3.613 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658141863 939034840 /nfs/dbraw/zinc/03/48/40/939034840.db2.gz XDNUBMYIIXJVSE-JTHBVZDNSA-N 2 1 350.506 3.729 20 0 FHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140200 939034899 /nfs/dbraw/zinc/03/48/99/939034899.db2.gz UHBZCJHLRFMARM-FGZHOGPDSA-N 2 1 350.506 3.647 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138053 939040372 /nfs/dbraw/zinc/04/03/72/939040372.db2.gz MJIFFCCTMWSULA-DZWOVHDNSA-N 2 1 350.506 3.535 20 0 FHADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658139511 939043069 /nfs/dbraw/zinc/04/30/69/939043069.db2.gz MHYLCLICLZYMRX-OXQOHEQNSA-N 2 1 356.535 3.826 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000658303603 939095396 /nfs/dbraw/zinc/09/53/96/939095396.db2.gz BZBAAOXYKLLLJI-CTNGQTDRSA-N 2 1 371.569 3.573 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110089 /nfs/dbraw/zinc/11/00/89/939110089.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110092 /nfs/dbraw/zinc/11/00/92/939110092.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110095 /nfs/dbraw/zinc/11/00/95/939110095.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 2 1 367.581 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110096 /nfs/dbraw/zinc/11/00/96/939110096.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 3 1 367.581 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110098 /nfs/dbraw/zinc/11/00/98/939110098.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110099 /nfs/dbraw/zinc/11/00/99/939110099.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110101 /nfs/dbraw/zinc/11/01/01/939110101.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 3 1 367.581 3.751 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)c1 ZINC000421826778 939122998 /nfs/dbraw/zinc/12/29/98/939122998.db2.gz USANBHWGPLOCFB-MJGOQNOKSA-N 2 1 355.551 3.892 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)c1 ZINC000421826778 939123001 /nfs/dbraw/zinc/12/30/01/939123001.db2.gz USANBHWGPLOCFB-MJGOQNOKSA-N 2 1 355.551 3.892 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364224 939126252 /nfs/dbraw/zinc/12/62/52/939126252.db2.gz YLNSXSJZTXCOHL-CZIXKKEKSA-N 2 1 350.506 3.894 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364224 939126254 /nfs/dbraw/zinc/12/62/54/939126254.db2.gz YLNSXSJZTXCOHL-CZIXKKEKSA-N 2 1 350.506 3.894 20 0 FHADMP OC1(CNc2cc[nH+]c3ccsc32)CC[NH+](Cc2ccccc2)CC1 ZINC000413586380 939209757 /nfs/dbraw/zinc/20/97/57/939209757.db2.gz PIMZBGXNXRFDSH-UHFFFAOYSA-N 2 1 353.491 3.735 20 0 FHADMP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507472099 945257921 /nfs/dbraw/zinc/25/79/21/945257921.db2.gz QHTAFLSTIOHJJF-YESZJQIVSA-N 2 1 358.473 3.782 20 0 FHADMP CCCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)n1 ZINC000507497018 945268707 /nfs/dbraw/zinc/26/87/07/945268707.db2.gz QKJYPFNPMHYXGN-ACIOBRDBSA-N 2 1 366.553 3.992 20 0 FHADMP c1cc(COc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)ccn1 ZINC000150750741 939937853 /nfs/dbraw/zinc/93/78/53/939937853.db2.gz YHBGGCDKSWDAMN-OAQYLSRUSA-N 2 1 351.494 3.578 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)ccn1 ZINC000150750741 939937855 /nfs/dbraw/zinc/93/78/55/939937855.db2.gz YHBGGCDKSWDAMN-OAQYLSRUSA-N 2 1 351.494 3.578 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000507503541 945285918 /nfs/dbraw/zinc/28/59/18/945285918.db2.gz AFYSRLXOEQZOPW-SIKLNZKXSA-N 2 1 366.553 3.673 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000414903412 945294993 /nfs/dbraw/zinc/29/49/93/945294993.db2.gz LYJWBUBIWTUDRD-SJLPKXTDSA-N 2 1 369.513 3.646 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000570076767 940128234 /nfs/dbraw/zinc/12/82/34/940128234.db2.gz HVXSQEKHZLGBKD-ZHHKINOHSA-N 2 1 360.542 3.633 20 0 FHADMP C[NH+](C)C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507526215 945302695 /nfs/dbraw/zinc/30/26/95/945302695.db2.gz LKWNBYIRLRAFQE-YCAMKHIRSA-N 2 1 363.549 3.790 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC[C@@H]1[NH3+] ZINC000647497821 940377721 /nfs/dbraw/zinc/37/77/21/940377721.db2.gz WKVGCZSRZGCCQE-UZLBHIALSA-N 2 1 360.933 3.761 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC[C@@H]1[NH3+] ZINC000647497821 940377725 /nfs/dbraw/zinc/37/77/25/940377725.db2.gz WKVGCZSRZGCCQE-UZLBHIALSA-N 2 1 360.933 3.761 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548973774 940390509 /nfs/dbraw/zinc/39/05/09/940390509.db2.gz HBHVXLHPZJOQDF-LJQANCHMSA-N 2 1 357.542 3.524 20 0 FHADMP CCc1nc([C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000376177676 940424105 /nfs/dbraw/zinc/42/41/05/940424105.db2.gz JZEDFKUJUDFGBJ-SFHVURJKSA-N 2 1 370.541 3.534 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057391 940465555 /nfs/dbraw/zinc/46/55/55/940465555.db2.gz FQZZSUDNEOFRLQ-MSOLQXFVSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057391 940465557 /nfs/dbraw/zinc/46/55/57/940465557.db2.gz FQZZSUDNEOFRLQ-MSOLQXFVSA-N 2 1 352.526 3.912 20 0 FHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000414070129 940476629 /nfs/dbraw/zinc/47/66/29/940476629.db2.gz CDBQPVMQZFFHRO-ZWKOTPCHSA-N 2 1 352.563 3.593 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082920 940486521 /nfs/dbraw/zinc/48/65/21/940486521.db2.gz FYVPQQPZKKLUDT-WMZOPIPTSA-N 2 1 359.539 3.698 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414088647 940494331 /nfs/dbraw/zinc/49/43/31/940494331.db2.gz CDVASCHEEYXWEQ-UEXGIBASSA-N 2 1 353.510 3.664 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414088647 940494332 /nfs/dbraw/zinc/49/43/32/940494332.db2.gz CDVASCHEEYXWEQ-UEXGIBASSA-N 2 1 353.510 3.664 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414108446 940510786 /nfs/dbraw/zinc/51/07/86/940510786.db2.gz LSEKQLSUEGDSEO-UEXGIBASSA-N 2 1 353.510 3.521 20 0 FHADMP COc1cccc(C[NH+](C)C/C=C\C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355126 940620458 /nfs/dbraw/zinc/62/04/58/940620458.db2.gz QMSNNSRMXJVQCQ-WAYWQWQTSA-N 2 1 354.494 3.824 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000414159283 940689449 /nfs/dbraw/zinc/68/94/49/940689449.db2.gz VZEZNQXZGZQVSK-CABCVRRESA-N 2 1 359.539 3.984 20 0 FHADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174155738 940705704 /nfs/dbraw/zinc/70/57/04/940705704.db2.gz ZHAXFKIAPBGHDA-QGZVFWFLSA-N 2 1 371.525 3.695 20 0 FHADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310783586 940811826 /nfs/dbraw/zinc/81/18/26/940811826.db2.gz CDXBHYRFXVMSMI-DJPFJPOOSA-N 2 1 358.913 3.874 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1 ZINC000892573664 940813347 /nfs/dbraw/zinc/81/33/47/940813347.db2.gz VBKHPSDQOVJVFW-KRWDZBQOSA-N 2 1 352.526 3.962 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892579555 940825626 /nfs/dbraw/zinc/82/56/26/940825626.db2.gz ATHHGGFTLPVLIH-KRWDZBQOSA-N 2 1 352.526 3.819 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892580694 940836556 /nfs/dbraw/zinc/83/65/56/940836556.db2.gz NLTSOTWTIZIUEB-QGZVFWFLSA-N 2 1 352.526 3.962 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000414301052 940916779 /nfs/dbraw/zinc/91/67/79/940916779.db2.gz VLDXGJCHZQMILX-ZNLUXHQJSA-N 2 1 356.485 3.544 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000414301052 940916781 /nfs/dbraw/zinc/91/67/81/940916781.db2.gz VLDXGJCHZQMILX-ZNLUXHQJSA-N 2 1 356.485 3.544 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582186 940949338 /nfs/dbraw/zinc/94/93/38/940949338.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472582186 940949339 /nfs/dbraw/zinc/94/93/39/940949339.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472582186 940949341 /nfs/dbraw/zinc/94/93/41/940949341.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 2 1 355.570 3.849 20 0 FHADMP CCC[N@@H+](CCC[NH+](CC)CC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000472586939 940975062 /nfs/dbraw/zinc/97/50/62/940975062.db2.gz UENPKJMAIHSWOU-UHFFFAOYSA-N 2 1 359.558 3.735 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134392556 941064667 /nfs/dbraw/zinc/06/46/67/941064667.db2.gz BZHJDPXUTOWEHK-WBVHZDCISA-N 2 1 357.325 3.807 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544552 941064715 /nfs/dbraw/zinc/06/47/15/941064715.db2.gz RYNJHCMIDWZHBV-ROUUACIJSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000647543358 941065279 /nfs/dbraw/zinc/06/52/79/941065279.db2.gz LSPPMLIJFOXLOC-OALUTQOASA-N 2 1 352.526 3.607 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544033 941065953 /nfs/dbraw/zinc/06/59/53/941065953.db2.gz VQJGPTKNXIQKJW-PMACEKPBSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000414384169 941076573 /nfs/dbraw/zinc/07/65/73/941076573.db2.gz OXKHZTAYGCJQFW-UHFFFAOYSA-N 2 1 367.472 3.508 20 0 FHADMP C[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 ZINC000423527024 941124672 /nfs/dbraw/zinc/12/46/72/941124672.db2.gz LXGKAJYFOYOYCM-LAXPSPDDSA-N 2 1 353.554 3.565 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479484 941128160 /nfs/dbraw/zinc/12/81/60/941128160.db2.gz RQZGGHQPXBOLEY-XMSQKQJNSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479537 941128377 /nfs/dbraw/zinc/12/83/77/941128377.db2.gz RQZGGHQPXBOLEY-AVRDEDQJSA-N 2 1 365.521 3.531 20 0 FHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000892677213 941155090 /nfs/dbraw/zinc/15/50/90/941155090.db2.gz WJANFLIJIJTOJQ-QGZVFWFLSA-N 2 1 370.541 3.591 20 0 FHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000892677213 941155092 /nfs/dbraw/zinc/15/50/92/941155092.db2.gz WJANFLIJIJTOJQ-QGZVFWFLSA-N 2 1 370.541 3.591 20 0 FHADMP c1csc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000178916454 941320821 /nfs/dbraw/zinc/32/08/21/941320821.db2.gz NIGIQHZMTJPZPV-UHFFFAOYSA-N 2 1 360.527 3.886 20 0 FHADMP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000311683123 941360046 /nfs/dbraw/zinc/36/00/46/941360046.db2.gz JBFMHUDZFQHVCL-LJQANCHMSA-N 2 1 365.562 3.676 20 0 FHADMP Cc1nn(C)c2sc([C@@H](C)[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)cc12 ZINC000376834938 941449976 /nfs/dbraw/zinc/44/99/76/941449976.db2.gz QVRTXQWVCCSVEQ-OAHLLOKOSA-N 2 1 369.538 3.966 20 0 FHADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000376861193 941453598 /nfs/dbraw/zinc/45/35/98/941453598.db2.gz RNQRZVJWNAPHQV-NRSFXHEJSA-N 2 1 356.432 3.597 20 0 FHADMP CN1CC[C@@H](C[N@@H+](C)Cc2cc(F)cc3cccnc32)[C@@H]1c1cccnc1 ZINC000376970161 941481499 /nfs/dbraw/zinc/48/14/99/941481499.db2.gz ZMLVKHQUPWAZRS-AVRDEDQJSA-N 2 1 364.468 3.894 20 0 FHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000377084149 941511129 /nfs/dbraw/zinc/51/11/29/941511129.db2.gz QPXQZCGZFRYAMF-ZDUSSCGKSA-N 2 1 364.415 3.669 20 0 FHADMP OC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076718 941513121 /nfs/dbraw/zinc/51/31/21/941513121.db2.gz HRPYJKHMLLADMF-NABGWTBKSA-N 2 1 362.517 3.993 20 0 FHADMP CC[NH+](CC)CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000549161752 941562977 /nfs/dbraw/zinc/56/29/77/941562977.db2.gz JCPBLYYHICORLD-UHFFFAOYSA-N 2 1 374.447 3.912 20 0 FHADMP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052882 941568178 /nfs/dbraw/zinc/56/81/78/941568178.db2.gz LWFHTVXRBVCIRP-SCZRWQTQSA-N 2 1 355.570 3.594 20 0 FHADMP c1ccc(C2CCC(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC2)cc1 ZINC000415047052 941569950 /nfs/dbraw/zinc/56/99/50/941569950.db2.gz DOPONBUTPFQKQX-UHFFFAOYSA-N 2 1 355.570 3.766 20 0 FHADMP c1ccc([C@H]2CCCC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000415057668 941570590 /nfs/dbraw/zinc/57/05/90/941570590.db2.gz RZLAFDANUOAQBD-ZDDBVQPTSA-N 2 1 355.570 3.909 20 0 FHADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415083463 941592936 /nfs/dbraw/zinc/59/29/36/941592936.db2.gz FNRGSNRDRACQBX-SEVLPDGMSA-N 2 1 358.432 3.878 20 0 FHADMP c1sc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1-c1ccccn1 ZINC000415104199 941605991 /nfs/dbraw/zinc/60/59/91/941605991.db2.gz KUXXKKKWDSSHKU-PKOBYXMFSA-N 2 1 364.518 3.831 20 0 FHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000415120889 941617358 /nfs/dbraw/zinc/61/73/58/941617358.db2.gz GMWXBNSNOWSCOL-DOTOQJQBSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000415130113 941623534 /nfs/dbraw/zinc/62/35/34/941623534.db2.gz QKQZFTPZOSWTAH-IAGOWNOFSA-N 2 1 360.395 3.563 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000892856538 941624019 /nfs/dbraw/zinc/62/40/19/941624019.db2.gz LDMWAIPNALQABT-KRWDZBQOSA-N 2 1 358.555 3.834 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000892856539 941624129 /nfs/dbraw/zinc/62/41/29/941624129.db2.gz LDMWAIPNALQABT-QGZVFWFLSA-N 2 1 358.555 3.834 20 0 FHADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000613660099 941624405 /nfs/dbraw/zinc/62/44/05/941624405.db2.gz HQRHRKLARHEFES-FGZHOGPDSA-N 2 1 365.521 3.531 20 0 FHADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000472715544 941625160 /nfs/dbraw/zinc/62/51/60/941625160.db2.gz PXPKFEDCHQECDJ-UHFFFAOYSA-N 2 1 360.546 3.568 20 0 FHADMP NC1(C[NH2+]Cc2cccc(Cl)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415139459 941626821 /nfs/dbraw/zinc/62/68/21/941626821.db2.gz WZPVJQVWMCZVSZ-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2cc(F)ccc2o1 ZINC000431840799 941643556 /nfs/dbraw/zinc/64/35/56/941643556.db2.gz ANUXTIICWZVDGJ-UHFFFAOYSA-N 2 1 374.504 3.599 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000415174713 941650253 /nfs/dbraw/zinc/65/02/53/941650253.db2.gz DNMNRXSKBFVTFB-HZPDHXFCSA-N 2 1 368.481 3.744 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000894209174 941707883 /nfs/dbraw/zinc/70/78/83/941707883.db2.gz PHQMDDXRZRWLJK-GOSISDBHSA-N 2 1 350.466 3.533 20 0 FHADMP CC[NH+](CC)Cc1ccccc1-c1noc([C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000377436061 941721523 /nfs/dbraw/zinc/72/15/23/941721523.db2.gz WYTGVGDWHLPXFW-OAHLLOKOSA-N 2 1 351.454 3.505 20 0 FHADMP CC[NH+](CC)Cc1ccccc1-c1noc([C@H]2CCn3cc[nH+]c3C2)n1 ZINC000377436060 941721680 /nfs/dbraw/zinc/72/16/80/941721680.db2.gz WYTGVGDWHLPXFW-HNNXBMFYSA-N 2 1 351.454 3.505 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204952 941779858 /nfs/dbraw/zinc/77/98/58/941779858.db2.gz YDLKCMDTEWKSBF-UGKGYDQZSA-N 2 1 365.606 3.510 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513204755 941780583 /nfs/dbraw/zinc/78/05/83/941780583.db2.gz WBTYAQHLDPSZRA-WIYYLYMNSA-N 2 1 351.494 3.658 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513204755 941780586 /nfs/dbraw/zinc/78/05/86/941780586.db2.gz WBTYAQHLDPSZRA-WIYYLYMNSA-N 2 1 351.494 3.658 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513218974 941792149 /nfs/dbraw/zinc/79/21/49/941792149.db2.gz RRPCUXPQHQKVBW-MRXNPFEDSA-N 2 1 363.512 3.893 20 0 FHADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337146 941859506 /nfs/dbraw/zinc/85/95/06/941859506.db2.gz CSMUTGXSTDGPJV-HXUWFJFHSA-N 2 1 360.505 3.699 20 0 FHADMP COCCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430364 941917088 /nfs/dbraw/zinc/91/70/88/941917088.db2.gz QIILMPOVUSGCFN-HXUWFJFHSA-N 2 1 360.542 3.800 20 0 FHADMP COCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513430364 941917089 /nfs/dbraw/zinc/91/70/89/941917089.db2.gz QIILMPOVUSGCFN-HXUWFJFHSA-N 2 1 360.542 3.800 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462626 941941213 /nfs/dbraw/zinc/94/12/13/941941213.db2.gz FVJMQKWQFQCPSP-OIBXWCBGSA-N 2 1 351.538 3.932 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462627 941941319 /nfs/dbraw/zinc/94/13/19/941941319.db2.gz FVJMQKWQFQCPSP-PTUXOGIPSA-N 2 1 351.538 3.932 20 0 FHADMP CCn1nc(C)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513501417 941973713 /nfs/dbraw/zinc/97/37/13/941973713.db2.gz SUJNSBIQTJXNRC-LAUBAEHRSA-N 2 1 354.542 3.910 20 0 FHADMP CCn1nc(C)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513501419 941973873 /nfs/dbraw/zinc/97/38/73/941973873.db2.gz SUJNSBIQTJXNRC-UWJYYQICSA-N 2 1 354.542 3.910 20 0 FHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000513517665 941978208 /nfs/dbraw/zinc/97/82/08/941978208.db2.gz JIFKBWUGDJZNOR-FBEWHJACSA-N 2 1 353.510 3.942 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000513510741 941982541 /nfs/dbraw/zinc/98/25/41/941982541.db2.gz FWCSFWCQHZEDIV-WMZOPIPTSA-N 2 1 358.555 3.599 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513652497 942056048 /nfs/dbraw/zinc/05/60/48/942056048.db2.gz ASSZPRTVQULMKO-PWRODBHTSA-N 2 1 352.526 3.958 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000513661700 942070766 /nfs/dbraw/zinc/07/07/66/942070766.db2.gz VKFBBZHAUNMFOL-WIYYLYMNSA-N 2 1 371.569 3.911 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1)CC1CC1 ZINC000415905508 942132948 /nfs/dbraw/zinc/13/29/48/942132948.db2.gz UXWMQAFVUFONNO-UHFFFAOYSA-N 2 1 372.557 3.772 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1)CC1CC1 ZINC000415945350 942177142 /nfs/dbraw/zinc/17/71/42/942177142.db2.gz CRXNSVSGEAYVOO-UHFFFAOYSA-N 2 1 358.530 3.511 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415945878 942178793 /nfs/dbraw/zinc/17/87/93/942178793.db2.gz RYILWNWWTAFTRI-LAUBAEHRSA-N 2 1 366.509 3.581 20 0 FHADMP Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414469811 942185903 /nfs/dbraw/zinc/18/59/03/942185903.db2.gz NACZDFMONPLMKS-JOCHJYFZSA-N 2 1 364.537 3.908 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000415956898 942188030 /nfs/dbraw/zinc/18/80/30/942188030.db2.gz OYIXCICSOBSISL-UHFFFAOYSA-N 2 1 368.525 3.828 20 0 FHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431855946 942206417 /nfs/dbraw/zinc/20/64/17/942206417.db2.gz CTPKVIQDFXHZNM-YADHBBJMSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431855946 942206423 /nfs/dbraw/zinc/20/64/23/942206423.db2.gz CTPKVIQDFXHZNM-YADHBBJMSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431855946 942206428 /nfs/dbraw/zinc/20/64/28/942206428.db2.gz CTPKVIQDFXHZNM-YADHBBJMSA-N 2 1 371.569 3.622 20 0 FHADMP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCCC[C@H]1C ZINC000415978172 942220759 /nfs/dbraw/zinc/22/07/59/942220759.db2.gz XGEFLFFQPHZFQC-OLZOCXBDSA-N 2 1 372.435 3.549 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415982310 942225729 /nfs/dbraw/zinc/22/57/29/942225729.db2.gz KUGIOCGRCYFUFT-MSOLQXFVSA-N 2 1 366.509 3.533 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000501006854 942254601 /nfs/dbraw/zinc/25/46/01/942254601.db2.gz IYDSRDQMFGRQTK-NRFANRHFSA-N 2 1 365.512 3.908 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000501006856 942254896 /nfs/dbraw/zinc/25/48/96/942254896.db2.gz IYDSRDQMFGRQTK-OAQYLSRUSA-N 2 1 365.512 3.908 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000420931714 942260824 /nfs/dbraw/zinc/26/08/24/942260824.db2.gz GVLJAHINBJLQEM-VGSWGCGISA-N 2 1 371.956 3.951 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000431856883 942260855 /nfs/dbraw/zinc/26/08/55/942260855.db2.gz KAWKBOOQJSMNJR-TZIWHRDSSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431856883 942260857 /nfs/dbraw/zinc/26/08/57/942260857.db2.gz KAWKBOOQJSMNJR-TZIWHRDSSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431856883 942260860 /nfs/dbraw/zinc/26/08/60/942260860.db2.gz KAWKBOOQJSMNJR-TZIWHRDSSA-N 2 1 363.590 3.754 20 0 FHADMP COC(=O)c1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000501069746 942288181 /nfs/dbraw/zinc/28/81/81/942288181.db2.gz QHPOMTRPPHIZFC-UHFFFAOYSA-N 2 1 373.522 3.587 20 0 FHADMP CCCc1ccccc1NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421077562 942333988 /nfs/dbraw/zinc/33/39/88/942333988.db2.gz DJSIXWXADWIJAQ-UHFFFAOYSA-N 2 1 372.557 3.663 20 0 FHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659911488 942414859 /nfs/dbraw/zinc/41/48/59/942414859.db2.gz YHBTXYHNWCSYNL-SFHVURJKSA-N 2 1 367.990 3.534 20 0 FHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659911488 942414863 /nfs/dbraw/zinc/41/48/63/942414863.db2.gz YHBTXYHNWCSYNL-SFHVURJKSA-N 2 1 367.990 3.534 20 0 FHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299827 942455712 /nfs/dbraw/zinc/45/57/12/942455712.db2.gz ZKMZJXOUDNIPCE-NRFANRHFSA-N 2 1 361.574 3.508 20 0 FHADMP c1cncc([C@@H]2CCC[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000501441389 942479472 /nfs/dbraw/zinc/47/94/72/942479472.db2.gz GIMOXYUAIJVPAA-GGAORHGYSA-N 2 1 365.521 3.730 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501450800 942484052 /nfs/dbraw/zinc/48/40/52/942484052.db2.gz PRKIKKYGULRQCJ-UHFFFAOYSA-N 2 1 358.230 3.802 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000513718166 942575885 /nfs/dbraw/zinc/57/58/85/942575885.db2.gz VZUKXCQREHOOGM-DOIPELPJSA-N 2 1 358.526 3.515 20 0 FHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000501649646 942595681 /nfs/dbraw/zinc/59/56/81/942595681.db2.gz UDPGULNNURWADX-LJQANCHMSA-N 2 1 365.949 3.523 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)on1 ZINC000420315353 942618224 /nfs/dbraw/zinc/61/82/24/942618224.db2.gz LXGYNSOSRIOGIV-OAQYLSRUSA-N 2 1 351.450 3.674 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)on1 ZINC000420315353 942618230 /nfs/dbraw/zinc/61/82/30/942618230.db2.gz LXGYNSOSRIOGIV-OAQYLSRUSA-N 2 1 351.450 3.674 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420341007 942625134 /nfs/dbraw/zinc/62/51/34/942625134.db2.gz PPIGJJBEOWQBGT-VWPQPMDRSA-N 2 1 363.505 3.606 20 0 FHADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000420344455 942625533 /nfs/dbraw/zinc/62/55/33/942625533.db2.gz SUTSCRDTFFSTAV-IEBWSBKVSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000420344455 942625539 /nfs/dbraw/zinc/62/55/39/942625539.db2.gz SUTSCRDTFFSTAV-IEBWSBKVSA-N 2 1 351.494 3.741 20 0 FHADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420362743 942639818 /nfs/dbraw/zinc/63/98/18/942639818.db2.gz ISQCGQANPMMJBQ-INIZCTEOSA-N 2 1 358.313 3.819 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420371982 942644110 /nfs/dbraw/zinc/64/41/10/942644110.db2.gz DXUQHWQHFGEURP-LMMKCTJWSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420371982 942644111 /nfs/dbraw/zinc/64/41/11/942644111.db2.gz DXUQHWQHFGEURP-LMMKCTJWSA-N 2 1 351.494 3.597 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383424 942648393 /nfs/dbraw/zinc/64/83/93/942648393.db2.gz ZRKYQUYPEIVGPA-NVXWUHKLSA-N 2 1 356.432 3.792 20 0 FHADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Br ZINC000514009482 942667571 /nfs/dbraw/zinc/66/75/71/942667571.db2.gz GSYVFOVTVGWASZ-UHFFFAOYSA-N 2 1 355.320 3.762 20 0 FHADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Br ZINC000514009482 942667574 /nfs/dbraw/zinc/66/75/74/942667574.db2.gz GSYVFOVTVGWASZ-UHFFFAOYSA-N 2 1 355.320 3.762 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000501785267 942671353 /nfs/dbraw/zinc/67/13/53/942671353.db2.gz KQWYIXLUYAUZFI-UHFFFAOYSA-N 2 1 368.949 3.919 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C)c1 ZINC000514094223 942744446 /nfs/dbraw/zinc/74/44/46/942744446.db2.gz MNNXVSWUTMRYMK-JOCHJYFZSA-N 2 1 365.521 3.624 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C)c1 ZINC000514094224 942744494 /nfs/dbraw/zinc/74/44/94/942744494.db2.gz MNNXVSWUTMRYMK-QFIPXVFZSA-N 2 1 365.521 3.624 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000659994523 942800697 /nfs/dbraw/zinc/80/06/97/942800697.db2.gz XCBZOAYZUAEFBB-PZJWPPBQSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994523 942800704 /nfs/dbraw/zinc/80/07/04/942800704.db2.gz XCBZOAYZUAEFBB-PZJWPPBQSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994523 942800710 /nfs/dbraw/zinc/80/07/10/942800710.db2.gz XCBZOAYZUAEFBB-PZJWPPBQSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994523 942800716 /nfs/dbraw/zinc/80/07/16/942800716.db2.gz XCBZOAYZUAEFBB-PZJWPPBQSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994523 942800722 /nfs/dbraw/zinc/80/07/22/942800722.db2.gz XCBZOAYZUAEFBB-PZJWPPBQSA-N 2 1 359.558 3.524 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414551681 942813109 /nfs/dbraw/zinc/81/31/09/942813109.db2.gz PFZUFGSIPORLEV-NRFANRHFSA-N 2 1 371.569 3.622 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414551681 942813114 /nfs/dbraw/zinc/81/31/14/942813114.db2.gz PFZUFGSIPORLEV-NRFANRHFSA-N 2 1 371.569 3.622 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414551681 942813120 /nfs/dbraw/zinc/81/31/20/942813120.db2.gz PFZUFGSIPORLEV-NRFANRHFSA-N 2 1 371.569 3.622 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(OC)CCCC3)CC2)cs1 ZINC000421840309 942854864 /nfs/dbraw/zinc/85/48/64/942854864.db2.gz YQDXSOGSFCVPQU-INIZCTEOSA-N 2 1 365.587 3.855 20 0 FHADMP COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1C[NH+]1CCCCC1 ZINC000183352753 942862992 /nfs/dbraw/zinc/86/29/92/942862992.db2.gz SJOCENJIVOIATP-SJLPKXTDSA-N 2 1 370.541 3.994 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000421884108 942864029 /nfs/dbraw/zinc/86/40/29/942864029.db2.gz UAWIPUQSGXKJFO-FDTLVRFQSA-N 3 1 355.570 3.892 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000421884108 942864030 /nfs/dbraw/zinc/86/40/30/942864030.db2.gz UAWIPUQSGXKJFO-FDTLVRFQSA-N 2 1 355.570 3.892 20 0 FHADMP CCN1CCC[C@@H](C[N@@H+](C)[C@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730233 942899055 /nfs/dbraw/zinc/89/90/55/942899055.db2.gz YMAISNGMVRFDRW-ZWCUEREDSA-N 2 1 370.541 3.895 20 0 FHADMP CSc1cc(Br)ccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000509961197 942934043 /nfs/dbraw/zinc/93/40/43/942934043.db2.gz XZDJXADPPXPQFM-UHFFFAOYSA-N 2 1 354.317 3.856 20 0 FHADMP CC(C)(C)OC(=O)CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434735965 942941415 /nfs/dbraw/zinc/94/14/15/942941415.db2.gz KKPKVICXVVIALK-UHFFFAOYSA-N 2 1 361.530 3.911 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@H]12 ZINC000503078927 942960779 /nfs/dbraw/zinc/96/07/79/942960779.db2.gz BKKVRRFFGZWNSN-POHNSKBLSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000503078927 942960784 /nfs/dbraw/zinc/96/07/84/942960784.db2.gz BKKVRRFFGZWNSN-POHNSKBLSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000503078927 942960789 /nfs/dbraw/zinc/96/07/89/942960789.db2.gz BKKVRRFFGZWNSN-POHNSKBLSA-N 2 1 363.590 3.655 20 0 FHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854223 942969186 /nfs/dbraw/zinc/96/91/86/942969186.db2.gz URZWZOFVYRETFD-BEFAXECRSA-N 2 1 365.949 3.574 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000503122761 942989468 /nfs/dbraw/zinc/98/94/68/942989468.db2.gz ZXBVIWDXDITVEC-RTBURBONSA-N 2 1 374.573 3.680 20 0 FHADMP c1[nH+]cn2c1C[C@@H](c1nc(-c3cccc(C[NH+]4CCCCC4)c3)no1)CC2 ZINC000378640713 942990471 /nfs/dbraw/zinc/99/04/71/942990471.db2.gz WJRUENUBCIPCDU-SFHVURJKSA-N 2 1 363.465 3.649 20 0 FHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000467308513 943022492 /nfs/dbraw/zinc/02/24/92/943022492.db2.gz KZCPGCHJOVSTHT-NRFANRHFSA-N 2 1 354.469 3.860 20 0 FHADMP CCC[NH+](CCC)CCCc1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000273775757 943035639 /nfs/dbraw/zinc/03/56/39/943035639.db2.gz FMXHSYINRHNRHN-UHFFFAOYSA-N 2 1 368.485 3.680 20 0 FHADMP CCC[N@H+](Cc1nc(C)oc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074889 943055407 /nfs/dbraw/zinc/05/54/07/943055407.db2.gz UBNBEDQCGCSULT-UHFFFAOYSA-N 2 1 357.502 3.579 20 0 FHADMP CCC[N@@H+](Cc1nc(C)oc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074889 943055421 /nfs/dbraw/zinc/05/54/21/943055421.db2.gz UBNBEDQCGCSULT-UHFFFAOYSA-N 2 1 357.502 3.579 20 0 FHADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)oc21 ZINC000271870423 943063443 /nfs/dbraw/zinc/06/34/43/943063443.db2.gz MOCHOVTWMZSUIC-ZYSHUDEJSA-N 2 1 372.509 3.860 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272171167 943105750 /nfs/dbraw/zinc/10/57/50/943105750.db2.gz HZODPMCEDYKUHQ-ILZDJORESA-N 2 1 371.550 3.995 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272171167 943105755 /nfs/dbraw/zinc/10/57/55/943105755.db2.gz HZODPMCEDYKUHQ-ILZDJORESA-N 2 1 371.550 3.995 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1)CC1CC1 ZINC000503314919 943120129 /nfs/dbraw/zinc/12/01/29/943120129.db2.gz OZYKIAJEWNYSGF-OAQYLSRUSA-N 2 1 363.590 3.612 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1)CC1CC1 ZINC000503314919 943120135 /nfs/dbraw/zinc/12/01/35/943120135.db2.gz OZYKIAJEWNYSGF-OAQYLSRUSA-N 2 1 363.590 3.612 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1)CC1CC1 ZINC000503314919 943120140 /nfs/dbraw/zinc/12/01/40/943120140.db2.gz OZYKIAJEWNYSGF-OAQYLSRUSA-N 2 1 363.590 3.612 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000503316908 943121083 /nfs/dbraw/zinc/12/10/83/943121083.db2.gz RUHRPTHTMVFYQU-OAQYLSRUSA-N 2 1 365.606 3.858 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1)CC(C)C ZINC000503316908 943121088 /nfs/dbraw/zinc/12/10/88/943121088.db2.gz RUHRPTHTMVFYQU-OAQYLSRUSA-N 2 1 365.606 3.858 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1)CC(C)C ZINC000503316908 943121093 /nfs/dbraw/zinc/12/10/93/943121093.db2.gz RUHRPTHTMVFYQU-OAQYLSRUSA-N 2 1 365.606 3.858 20 0 FHADMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000185286048 943140038 /nfs/dbraw/zinc/14/00/38/943140038.db2.gz XPRNYMRFWSAVSB-GOSISDBHSA-N 2 1 373.884 3.902 20 0 FHADMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000185286048 943140045 /nfs/dbraw/zinc/14/00/45/943140045.db2.gz XPRNYMRFWSAVSB-GOSISDBHSA-N 2 1 373.884 3.902 20 0 FHADMP COc1c(O)cccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000272413049 943152328 /nfs/dbraw/zinc/15/23/28/943152328.db2.gz LCQRTRMICQOMLD-UHFFFAOYSA-N 2 1 366.461 3.916 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000514634326 943165565 /nfs/dbraw/zinc/16/55/65/943165565.db2.gz FGYKMMNGJOBIOD-UZLBHIALSA-N 2 1 368.477 3.649 20 0 FHADMP CC(=O)c1ccccc1OCCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437086 943183052 /nfs/dbraw/zinc/18/30/52/943183052.db2.gz WTIUXLVRURQLCN-GOSISDBHSA-N 2 1 367.493 3.680 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccnc1Cl ZINC000272725254 943210065 /nfs/dbraw/zinc/21/00/65/943210065.db2.gz GQOTWGNATKOJQX-QAPCUYQASA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccnc1Cl ZINC000272725254 943210069 /nfs/dbraw/zinc/21/00/69/943210069.db2.gz GQOTWGNATKOJQX-QAPCUYQASA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272743893 943213950 /nfs/dbraw/zinc/21/39/50/943213950.db2.gz BKNNRYSNXZCJSD-PXNSSMCTSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272743893 943213956 /nfs/dbraw/zinc/21/39/56/943213956.db2.gz BKNNRYSNXZCJSD-PXNSSMCTSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000422631204 943214328 /nfs/dbraw/zinc/21/43/28/943214328.db2.gz FGBTUEVJRHHYCI-UWVAXJGDSA-N 2 1 351.494 3.744 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272866325 943235063 /nfs/dbraw/zinc/23/50/63/943235063.db2.gz LKXXBDJEPIDNBP-KBPBESRZSA-N 2 1 352.320 3.587 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272866325 943235067 /nfs/dbraw/zinc/23/50/67/943235067.db2.gz LKXXBDJEPIDNBP-KBPBESRZSA-N 2 1 352.320 3.587 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422699140 943235993 /nfs/dbraw/zinc/23/59/93/943235993.db2.gz AFAVYAPMYBMSKF-KBXCAEBGSA-N 2 1 362.901 3.795 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000093006873 943277085 /nfs/dbraw/zinc/27/70/85/943277085.db2.gz PDKKXVLXDGYURG-AREMUKBSSA-N 2 1 370.562 3.768 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764326 943284915 /nfs/dbraw/zinc/28/49/15/943284915.db2.gz PWNHAOKXVUMNDT-KJGCVMFHSA-N 2 1 357.464 3.804 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764326 943284919 /nfs/dbraw/zinc/28/49/19/943284919.db2.gz PWNHAOKXVUMNDT-KJGCVMFHSA-N 2 1 357.464 3.804 20 0 FHADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)ccc2NC1=O ZINC000422805444 943289960 /nfs/dbraw/zinc/28/99/60/943289960.db2.gz GVJZAJRYTLWDQE-JFSXXWSZSA-N 2 1 351.450 3.592 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(CN2CCc3ccccc32)cc1)c1c[nH+]ccc1N ZINC000422809361 943290723 /nfs/dbraw/zinc/29/07/23/943290723.db2.gz MCTNBSKYCQZOFV-QGZVFWFLSA-N 2 1 358.489 3.908 20 0 FHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422828531 943297936 /nfs/dbraw/zinc/29/79/36/943297936.db2.gz UBDODPSAXCNSGC-IRXDYDNUSA-N 2 1 373.884 3.720 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422862617 943309683 /nfs/dbraw/zinc/30/96/83/943309683.db2.gz NTTQKZGJAUXNJZ-ROUUACIJSA-N 3 1 366.553 3.931 20 0 FHADMP Clc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422843422 943312413 /nfs/dbraw/zinc/31/24/13/943312413.db2.gz IFPGVYIJFUAHTQ-BURNTYAHSA-N 2 1 361.961 3.987 20 0 FHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813115 943316891 /nfs/dbraw/zinc/31/68/91/943316891.db2.gz XLPXNEODGRQYCL-ZIAGYGMSSA-N 2 1 357.311 3.841 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000422890408 943319674 /nfs/dbraw/zinc/31/96/74/943319674.db2.gz RXJXBLATFPGPSY-LMMKCTJWSA-N 2 1 366.553 3.656 20 0 FHADMP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422869455 943320584 /nfs/dbraw/zinc/32/05/84/943320584.db2.gz ACUKQNXEJCVYHT-PWRODBHTSA-N 2 1 360.542 3.811 20 0 FHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000422904829 943326477 /nfs/dbraw/zinc/32/64/77/943326477.db2.gz QXIFORUDWLUIRT-CRAIPNDOSA-N 2 1 366.933 3.517 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422893311 943330163 /nfs/dbraw/zinc/33/01/63/943330163.db2.gz PZRBYFFTBREPPR-VXKWHMMOSA-N 3 1 353.510 3.642 20 0 FHADMP COc1ccc([C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422924413 943333367 /nfs/dbraw/zinc/33/33/67/943333367.db2.gz YFQCAJKSQHCVEV-NHCUHLMSSA-N 2 1 358.526 3.817 20 0 FHADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422938667 943338754 /nfs/dbraw/zinc/33/87/54/943338754.db2.gz DVRGXNBVSAYAMD-XFBWCDHKSA-N 2 1 365.930 3.614 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922379 943346640 /nfs/dbraw/zinc/34/66/40/943346640.db2.gz KSNFJGYSYPVYET-ZWKOTPCHSA-N 2 1 351.560 3.512 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435373317 943355345 /nfs/dbraw/zinc/35/53/45/943355345.db2.gz DMSMLBMUJGDDMX-DFNIBXOVSA-N 2 1 372.944 3.916 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435373317 943355350 /nfs/dbraw/zinc/35/53/50/943355350.db2.gz DMSMLBMUJGDDMX-DFNIBXOVSA-N 2 1 372.944 3.916 20 0 FHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895750 943357202 /nfs/dbraw/zinc/35/72/02/943357202.db2.gz BLSIUFZUYWUYRJ-OYDLWJJNSA-N 2 1 367.581 3.871 20 0 FHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378516 943367029 /nfs/dbraw/zinc/36/70/29/943367029.db2.gz DQXONCJUOOHMOH-RLAPIPATSA-N 2 1 373.504 3.649 20 0 FHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378516 943367037 /nfs/dbraw/zinc/36/70/37/943367037.db2.gz DQXONCJUOOHMOH-RLAPIPATSA-N 2 1 373.504 3.649 20 0 FHADMP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435380981 943370282 /nfs/dbraw/zinc/37/02/82/943370282.db2.gz QZEVQQIREFJMBM-FKEKPDDDSA-N 2 1 364.415 3.606 20 0 FHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000423044432 943375710 /nfs/dbraw/zinc/37/57/10/943375710.db2.gz BFLORJYUQBWFRD-NJAFHUGGSA-N 2 1 355.551 3.893 20 0 FHADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423059721 943378101 /nfs/dbraw/zinc/37/81/01/943378101.db2.gz MUKGWRUNXDZSPZ-RNJTYBCJSA-N 2 1 356.432 3.556 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423066154 943380232 /nfs/dbraw/zinc/38/02/32/943380232.db2.gz WEQWPRRJPUUIGG-MGPUTAFESA-N 2 1 355.913 3.922 20 0 FHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[nH+]ccc1N ZINC000423070759 943381572 /nfs/dbraw/zinc/38/15/72/943381572.db2.gz NPCOCUXGFLSBJU-AAEUAGOBSA-N 2 1 351.281 3.730 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435394876 943381724 /nfs/dbraw/zinc/38/17/24/943381724.db2.gz PLGRVCIMIYPPGK-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435394876 943381726 /nfs/dbraw/zinc/38/17/26/943381726.db2.gz PLGRVCIMIYPPGK-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000423083945 943388104 /nfs/dbraw/zinc/38/81/04/943388104.db2.gz ZQQXPUNPSCNZRZ-JKSUJKDBSA-N 2 1 351.372 3.604 20 0 FHADMP Fc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)cc1Cl ZINC000423089331 943390186 /nfs/dbraw/zinc/39/01/86/943390186.db2.gz UUVDGVUIXOGUTB-IEBWSBKVSA-N 2 1 364.823 3.964 20 0 FHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000186918207 943390851 /nfs/dbraw/zinc/39/08/51/943390851.db2.gz RZEWQKUOTZVORQ-HXUWFJFHSA-N 2 1 369.553 3.540 20 0 FHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000186918207 943390859 /nfs/dbraw/zinc/39/08/59/943390859.db2.gz RZEWQKUOTZVORQ-HXUWFJFHSA-N 2 1 369.553 3.540 20 0 FHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423090469 943391356 /nfs/dbraw/zinc/39/13/56/943391356.db2.gz XRDQLZXJNLJWEW-VFPGXZCRSA-N 2 1 361.496 3.692 20 0 FHADMP COc1cc(F)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000514944748 943395828 /nfs/dbraw/zinc/39/58/28/943395828.db2.gz PPBSEPMJLKYHBG-WMZOPIPTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(F)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000514944748 943395835 /nfs/dbraw/zinc/39/58/35/943395835.db2.gz PPBSEPMJLKYHBG-WMZOPIPTSA-N 2 1 372.484 3.843 20 0 FHADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104756 943401808 /nfs/dbraw/zinc/40/18/08/943401808.db2.gz MQAVCZREWWABFC-XPWALMASSA-N 2 1 371.569 3.560 20 0 FHADMP COc1c(O)cccc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435429291 943407828 /nfs/dbraw/zinc/40/78/28/943407828.db2.gz VMABGNUADLJTSY-SFHVURJKSA-N 2 1 358.507 3.607 20 0 FHADMP COc1c(O)cccc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435429291 943407831 /nfs/dbraw/zinc/40/78/31/943407831.db2.gz VMABGNUADLJTSY-SFHVURJKSA-N 2 1 358.507 3.607 20 0 FHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423148685 943408924 /nfs/dbraw/zinc/40/89/24/943408924.db2.gz WHYGDEOITPIBIR-AYOQOUSVSA-N 2 1 358.917 3.926 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423135167 943414457 /nfs/dbraw/zinc/41/44/57/943414457.db2.gz FHQAIDYLRZFSQX-OYDLWJJNSA-N 2 1 365.565 3.837 20 0 FHADMP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C[NH+](C)C ZINC000514953442 943418547 /nfs/dbraw/zinc/41/85/47/943418547.db2.gz WNZIMEMDUYAWRB-HXUWFJFHSA-N 2 1 351.494 3.517 20 0 FHADMP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435446865 943421888 /nfs/dbraw/zinc/42/18/88/943421888.db2.gz MNFPVKQXIURAEB-GOSISDBHSA-N 2 1 366.431 3.524 20 0 FHADMP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435446865 943421890 /nfs/dbraw/zinc/42/18/90/943421890.db2.gz MNFPVKQXIURAEB-GOSISDBHSA-N 2 1 366.431 3.524 20 0 FHADMP COc1ccc2oc([C@@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)c(C)c2c1 ZINC000423194036 943437934 /nfs/dbraw/zinc/43/79/34/943437934.db2.gz YBYMJQCXFPGHGS-MRXNPFEDSA-N 2 1 353.466 3.975 20 0 FHADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423202522 943440813 /nfs/dbraw/zinc/44/08/13/943440813.db2.gz QVNXTGVCNLUGTR-QGZVFWFLSA-N 2 1 356.514 3.701 20 0 FHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000503986615 943443021 /nfs/dbraw/zinc/44/30/21/943443021.db2.gz LWGIGDASHQAIQE-TZIWHRDSSA-N 2 1 374.573 3.582 20 0 FHADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417216061 943444052 /nfs/dbraw/zinc/44/40/52/943444052.db2.gz JDBYNDQRJGCHRM-SFHVURJKSA-N 2 1 374.573 3.768 20 0 FHADMP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000503976816 943448538 /nfs/dbraw/zinc/44/85/38/943448538.db2.gz JARJUTOOMJPFMM-BGYRXZFFSA-N 2 1 368.610 3.505 20 0 FHADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000515052899 943477297 /nfs/dbraw/zinc/47/72/97/943477297.db2.gz OBGBDMDVMCXVIU-HLAWJBBLSA-N 2 1 354.542 3.947 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423325461 943480764 /nfs/dbraw/zinc/48/07/64/943480764.db2.gz JSUHBAWLZCKPRF-GTNSWQLSSA-N 2 1 364.383 3.930 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000584718725 943481324 /nfs/dbraw/zinc/48/13/24/943481324.db2.gz ZNFGLYICBBXVFM-SPEDKVCISA-N 2 1 365.521 3.831 20 0 FHADMP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414733826 943482038 /nfs/dbraw/zinc/48/20/38/943482038.db2.gz KGSOCUWSMFLBTP-KGLIPLIRSA-N 2 1 362.905 3.589 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C1 ZINC000584723621 943490790 /nfs/dbraw/zinc/49/07/90/943490790.db2.gz ZWLPQGBPMDLRAM-MJGOQNOKSA-N 2 1 363.571 3.909 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000423375730 943504007 /nfs/dbraw/zinc/50/40/07/943504007.db2.gz IUHKBANQXZIUPK-HNNXBMFYSA-N 2 1 355.507 3.507 20 0 FHADMP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)o1 ZINC001279109453 943506380 /nfs/dbraw/zinc/50/63/80/943506380.db2.gz QKBICALYSXYGNT-UHFFFAOYSA-N 2 1 360.498 3.687 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H](O)c1c(F)cccc1F ZINC000237132059 943513673 /nfs/dbraw/zinc/51/36/73/943513673.db2.gz ZIWFOEOOHZWPQP-IBGZPJMESA-N 2 1 362.464 3.746 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000237132059 943513681 /nfs/dbraw/zinc/51/36/81/943513681.db2.gz ZIWFOEOOHZWPQP-IBGZPJMESA-N 2 1 362.464 3.746 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000237132059 943513685 /nfs/dbraw/zinc/51/36/85/943513685.db2.gz ZIWFOEOOHZWPQP-IBGZPJMESA-N 2 1 362.464 3.746 20 0 FHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000515150125 943524654 /nfs/dbraw/zinc/52/46/54/943524654.db2.gz ZPAHFOXVCFTVCH-LJQANCHMSA-N 2 1 365.521 3.533 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414746800 943525773 /nfs/dbraw/zinc/52/57/73/943525773.db2.gz MCGQKQABWKUPOP-OZVIIMIRSA-N 2 1 359.297 3.527 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414746800 943525777 /nfs/dbraw/zinc/52/57/77/943525777.db2.gz MCGQKQABWKUPOP-OZVIIMIRSA-N 2 1 359.297 3.527 20 0 FHADMP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435628249 943527418 /nfs/dbraw/zinc/52/74/18/943527418.db2.gz UDNFGDNDIWIFQA-LJQANCHMSA-N 2 1 359.901 3.888 20 0 FHADMP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435628249 943527420 /nfs/dbraw/zinc/52/74/20/943527420.db2.gz UDNFGDNDIWIFQA-LJQANCHMSA-N 2 1 359.901 3.888 20 0 FHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423481723 943528248 /nfs/dbraw/zinc/52/82/48/943528248.db2.gz QLIYCYWKACSVMT-FUHWJXTLSA-N 2 1 365.855 3.853 20 0 FHADMP CC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629493 943528351 /nfs/dbraw/zinc/52/83/51/943528351.db2.gz XSYJCXXHUPFEKV-OAQYLSRUSA-N 2 1 351.494 3.903 20 0 FHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCS2 ZINC000423499067 943529685 /nfs/dbraw/zinc/52/96/85/943529685.db2.gz AGFKWXDISQNQTR-QLOJAFMTSA-N 2 1 359.583 3.646 20 0 FHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423505668 943531768 /nfs/dbraw/zinc/53/17/68/943531768.db2.gz ORLDERHMNZHBJA-QKYXUNIQSA-N 2 1 364.505 3.942 20 0 FHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423490165 943535178 /nfs/dbraw/zinc/53/51/78/943535178.db2.gz YHTLKURMZZPCKC-SJLPKXTDSA-N 2 1 365.855 3.853 20 0 FHADMP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423494925 943537021 /nfs/dbraw/zinc/53/70/21/943537021.db2.gz STKVJZGXXVQNMD-NVXWUHKLSA-N 2 1 350.915 3.653 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533639 943539868 /nfs/dbraw/zinc/53/98/68/943539868.db2.gz YBUYCZVIUXPDJT-YUOBQYBGSA-N 2 1 367.581 3.640 20 0 FHADMP Cc1ccccc1NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681544 943542345 /nfs/dbraw/zinc/54/23/45/943542345.db2.gz KPZGAKYXKDKOAM-LJQANCHMSA-N 2 1 369.534 3.639 20 0 FHADMP Cc1ccccc1NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681544 943542346 /nfs/dbraw/zinc/54/23/46/943542346.db2.gz KPZGAKYXKDKOAM-LJQANCHMSA-N 2 1 369.534 3.639 20 0 FHADMP Cc1ccccc1OCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682203 943543630 /nfs/dbraw/zinc/54/36/30/943543630.db2.gz DHBQZYMDCCFHHZ-LJQANCHMSA-N 2 1 371.550 3.865 20 0 FHADMP Cc1ccccc1OCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682203 943543633 /nfs/dbraw/zinc/54/36/33/943543633.db2.gz DHBQZYMDCCFHHZ-LJQANCHMSA-N 2 1 371.550 3.865 20 0 FHADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523071 943545747 /nfs/dbraw/zinc/54/57/47/943545747.db2.gz VHVAPBOZCLDTAX-JFIBYHEFSA-N 2 1 368.352 3.787 20 0 FHADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523006 943545763 /nfs/dbraw/zinc/54/57/63/943545763.db2.gz VETMHMGSLAOXIG-WWPVKYPJSA-N 3 1 351.538 3.967 20 0 FHADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423523006 943545769 /nfs/dbraw/zinc/54/57/69/943545769.db2.gz VETMHMGSLAOXIG-WWPVKYPJSA-N 2 1 351.538 3.967 20 0 FHADMP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690863 943558644 /nfs/dbraw/zinc/55/86/44/943558644.db2.gz BVSWNBZXIBESEE-IBGZPJMESA-N 2 1 369.534 3.639 20 0 FHADMP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690863 943558649 /nfs/dbraw/zinc/55/86/49/943558649.db2.gz BVSWNBZXIBESEE-IBGZPJMESA-N 2 1 369.534 3.639 20 0 FHADMP FC(F)(F)COCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691243 943559475 /nfs/dbraw/zinc/55/94/75/943559475.db2.gz FVMPBIJHZMZRMD-OAHLLOKOSA-N 2 1 362.461 3.661 20 0 FHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000423572186 943560291 /nfs/dbraw/zinc/56/02/91/943560291.db2.gz ODRKZRGWXNPRRD-KRWDZBQOSA-N 2 1 357.929 3.984 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1c(C)cccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697877 943563109 /nfs/dbraw/zinc/56/31/09/943563109.db2.gz UIOKDYRLHGATBI-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1c(C)cccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697877 943563114 /nfs/dbraw/zinc/56/31/14/943563114.db2.gz UIOKDYRLHGATBI-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP c1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000584782893 943602391 /nfs/dbraw/zinc/60/23/91/943602391.db2.gz VUYBVBZKFRKLKL-HSZRJFAPSA-N 2 1 373.504 3.510 20 0 FHADMP c1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000584782893 943602395 /nfs/dbraw/zinc/60/23/95/943602395.db2.gz VUYBVBZKFRKLKL-HSZRJFAPSA-N 2 1 373.504 3.510 20 0 FHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000664374350 943691562 /nfs/dbraw/zinc/69/15/62/943691562.db2.gz WIQSPEMNWJWCLZ-INIZCTEOSA-N 2 1 371.529 3.661 20 0 FHADMP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374350 943691563 /nfs/dbraw/zinc/69/15/63/943691563.db2.gz WIQSPEMNWJWCLZ-INIZCTEOSA-N 2 1 371.529 3.661 20 0 FHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374350 943691564 /nfs/dbraw/zinc/69/15/64/943691564.db2.gz WIQSPEMNWJWCLZ-INIZCTEOSA-N 2 1 371.529 3.661 20 0 FHADMP CCC[NH+]1CCC(CNC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000504653918 943718397 /nfs/dbraw/zinc/71/83/97/943718397.db2.gz GYCHBMIJJGXXMZ-UHFFFAOYSA-N 2 1 357.542 3.523 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2CC[NH+](CCC)CC2)cc1 ZINC000504631766 943721590 /nfs/dbraw/zinc/72/15/90/943721590.db2.gz ZCGQRYAZPHPBLL-UHFFFAOYSA-N 2 1 359.558 3.770 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424134854 943747664 /nfs/dbraw/zinc/74/76/64/943747664.db2.gz ODNUPRXKECTJDI-UYAOXDASSA-N 2 1 351.579 3.835 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000312555246 943789849 /nfs/dbraw/zinc/78/98/49/943789849.db2.gz XROKWBXKIUQTKH-XXBNENTESA-N 2 1 365.521 3.906 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000515318329 943798116 /nfs/dbraw/zinc/79/81/16/943798116.db2.gz AUPLEZJFACFBNF-MGPUTAFESA-N 2 1 353.441 3.574 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1)C(C)C ZINC000424242091 943816857 /nfs/dbraw/zinc/81/68/57/943816857.db2.gz QOMWFKNEHPBKPE-GOSISDBHSA-N 2 1 357.542 3.521 20 0 FHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC000424298126 943826288 /nfs/dbraw/zinc/82/62/88/943826288.db2.gz TXXIJYBTWTVVHJ-SFHVURJKSA-N 2 1 363.505 3.756 20 0 FHADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491096 943856833 /nfs/dbraw/zinc/85/68/33/943856833.db2.gz GQMDRHMQGZCAEE-IRLDBZIGSA-N 2 1 371.569 3.620 20 0 FHADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000425416910 943872165 /nfs/dbraw/zinc/87/21/65/943872165.db2.gz HAKLZJAKXBPPIY-QHCPKHFHSA-N 2 1 364.533 3.578 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424375882 943887116 /nfs/dbraw/zinc/88/71/16/943887116.db2.gz KJYPALSRFYFOAV-CQSZACIVSA-N 2 1 352.906 3.711 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424380145 943889495 /nfs/dbraw/zinc/88/94/95/943889495.db2.gz PMWNVWDCXDJTSK-KRWDZBQOSA-N 2 1 351.494 3.721 20 0 FHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000504899557 943897172 /nfs/dbraw/zinc/89/71/72/943897172.db2.gz IPDLQAASFCRVGG-RZFNWQHOSA-N 2 1 350.506 3.770 20 0 FHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000504899557 943897177 /nfs/dbraw/zinc/89/71/77/943897177.db2.gz IPDLQAASFCRVGG-RZFNWQHOSA-N 2 1 350.506 3.770 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000516998537 943901768 /nfs/dbraw/zinc/90/17/68/943901768.db2.gz XGMBGOPXZPOJCC-INIZCTEOSA-N 2 1 356.466 3.553 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000516998537 943901771 /nfs/dbraw/zinc/90/17/71/943901771.db2.gz XGMBGOPXZPOJCC-INIZCTEOSA-N 2 1 356.466 3.553 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000424428880 943923143 /nfs/dbraw/zinc/92/31/43/943923143.db2.gz VHJFLYPAYMPWQB-OAQYLSRUSA-N 2 1 368.525 3.732 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC12CCOCC2 ZINC000414789293 943931322 /nfs/dbraw/zinc/93/13/22/943931322.db2.gz NUIKCIDVYRWPRZ-MRXNPFEDSA-N 2 1 360.498 3.742 20 0 FHADMP Cc1cn2c(n1)CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676260 943932089 /nfs/dbraw/zinc/93/20/89/943932089.db2.gz FRUWXFQJJFDVBT-KBWCOIMZSA-N 2 1 352.526 3.539 20 0 FHADMP COc1ccc([C@H]2CCNC[C@@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877227 943991112 /nfs/dbraw/zinc/99/11/12/943991112.db2.gz FSEXXRCQTQBHRO-MOPGFXCFSA-N 2 1 372.534 3.661 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233790 943999246 /nfs/dbraw/zinc/99/92/46/943999246.db2.gz BGWKKLPPUCDLAW-AZUAARDMSA-N 2 1 350.547 3.506 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233790 943999253 /nfs/dbraw/zinc/99/92/53/943999253.db2.gz BGWKKLPPUCDLAW-AZUAARDMSA-N 2 1 350.547 3.506 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233790 943999257 /nfs/dbraw/zinc/99/92/57/943999257.db2.gz BGWKKLPPUCDLAW-AZUAARDMSA-N 2 1 350.547 3.506 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233775 943999724 /nfs/dbraw/zinc/99/97/24/943999724.db2.gz BGWKKLPPUCDLAW-UYAOXDASSA-N 2 1 350.547 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233775 943999727 /nfs/dbraw/zinc/99/97/27/943999727.db2.gz BGWKKLPPUCDLAW-UYAOXDASSA-N 2 1 350.547 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233775 943999732 /nfs/dbraw/zinc/99/97/32/943999732.db2.gz BGWKKLPPUCDLAW-UYAOXDASSA-N 2 1 350.547 3.506 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1 ZINC000505118935 944048912 /nfs/dbraw/zinc/04/89/12/944048912.db2.gz XOYFSQRBLWUIGQ-HRTMPFAESA-N 2 1 371.569 3.839 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1 ZINC000505118936 944049019 /nfs/dbraw/zinc/04/90/19/944049019.db2.gz XOYFSQRBLWUIGQ-LZBANZJXSA-N 2 1 371.569 3.839 20 0 FHADMP C[N@@H+](CCC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000517212829 944093575 /nfs/dbraw/zinc/09/35/75/944093575.db2.gz LTWCSGGIRRWZPQ-UHFFFAOYSA-N 2 1 357.542 3.553 20 0 FHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000517199284 944096871 /nfs/dbraw/zinc/09/68/71/944096871.db2.gz OAIYIORXIRFYQB-HXUWFJFHSA-N 2 1 354.469 3.860 20 0 FHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000517199284 944096876 /nfs/dbraw/zinc/09/68/76/944096876.db2.gz OAIYIORXIRFYQB-HXUWFJFHSA-N 2 1 354.469 3.860 20 0 FHADMP O[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000436235716 944138702 /nfs/dbraw/zinc/13/87/02/944138702.db2.gz ARPUESSOGCCVTL-VJBWXMMDSA-N 2 1 350.506 3.549 20 0 FHADMP O[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000436235716 944138704 /nfs/dbraw/zinc/13/87/04/944138704.db2.gz ARPUESSOGCCVTL-VJBWXMMDSA-N 2 1 350.506 3.549 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cs1 ZINC000436237486 944139902 /nfs/dbraw/zinc/13/99/02/944139902.db2.gz GQYNGRWBWOUJKK-SFHVURJKSA-N 2 1 366.534 3.792 20 0 FHADMP c1ccc([C@H]2CC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000436264418 944155600 /nfs/dbraw/zinc/15/56/00/944155600.db2.gz KGLMQDPARZUKDX-XZOQPEGZSA-N 2 1 350.506 3.945 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436293353 944179198 /nfs/dbraw/zinc/17/91/98/944179198.db2.gz MJZYSIOUEZIURE-PTUXOGIPSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293353 944179202 /nfs/dbraw/zinc/17/92/02/944179202.db2.gz MJZYSIOUEZIURE-PTUXOGIPSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293353 944179205 /nfs/dbraw/zinc/17/92/05/944179205.db2.gz MJZYSIOUEZIURE-PTUXOGIPSA-N 2 1 370.585 3.679 20 0 FHADMP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000418137519 944191300 /nfs/dbraw/zinc/19/13/00/944191300.db2.gz DZFFZOFUEJZPML-LEWJYISDSA-N 2 1 372.557 3.563 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917606 944210027 /nfs/dbraw/zinc/21/00/27/944210027.db2.gz RVFZOJCSZZJBCI-FQEVSTJZSA-N 2 1 360.933 3.681 20 0 FHADMP Clc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167975167 944276091 /nfs/dbraw/zinc/27/60/91/944276091.db2.gz JZVUFWOUEVPKPP-MJLAPFRSSA-N 2 1 373.972 3.909 20 0 FHADMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc(Cl)c1 ZINC000518346354 944286944 /nfs/dbraw/zinc/28/69/44/944286944.db2.gz FPOLHACBKSUJJO-SFHVURJKSA-N 2 1 365.949 3.714 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475278 944287414 /nfs/dbraw/zinc/28/74/14/944287414.db2.gz UXKWIJAOLPUEOG-OALUTQOASA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475278 944287423 /nfs/dbraw/zinc/28/74/23/944287423.db2.gz UXKWIJAOLPUEOG-OALUTQOASA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475278 944287431 /nfs/dbraw/zinc/28/74/31/944287431.db2.gz UXKWIJAOLPUEOG-OALUTQOASA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475278 944287438 /nfs/dbraw/zinc/28/74/38/944287438.db2.gz UXKWIJAOLPUEOG-OALUTQOASA-N 2 1 374.525 3.771 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373306 944362894 /nfs/dbraw/zinc/36/28/94/944362894.db2.gz OVCMUWGIIKODHY-QGPMSJSTSA-N 2 1 358.448 3.632 20 0 FHADMP [NH3+]Cc1cc(Br)ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975870 944374114 /nfs/dbraw/zinc/37/41/14/944374114.db2.gz YEJOUBYMPIJFHV-ALOPSCKCSA-N 2 1 364.331 3.725 20 0 FHADMP CC1(C)C[N@@H+](CCc2cn[nH]c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837952 944406087 /nfs/dbraw/zinc/40/60/87/944406087.db2.gz QGGUTCVPPAFAIZ-OAQYLSRUSA-N 2 1 352.526 3.575 20 0 FHADMP Fc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167978264 944441474 /nfs/dbraw/zinc/44/14/74/944441474.db2.gz NIXZFSKZMPRQLT-SEJPIABJSA-N 2 1 358.501 3.826 20 0 FHADMP C[C@H]1CCC[C@](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000311245971 944447368 /nfs/dbraw/zinc/44/73/68/944447368.db2.gz UIOPTOGFJIBZIJ-RJPLPAITSA-N 2 1 367.578 3.922 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000311258559 944464963 /nfs/dbraw/zinc/46/49/63/944464963.db2.gz UJVSAWNJOHBUQV-FQBWVUSXSA-N 2 1 365.562 3.627 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000311258559 944464965 /nfs/dbraw/zinc/46/49/65/944464965.db2.gz UJVSAWNJOHBUQV-FQBWVUSXSA-N 2 1 365.562 3.627 20 0 FHADMP CC(C)[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000517688940 944500430 /nfs/dbraw/zinc/50/04/30/944500430.db2.gz MOGNXLYJCYWETN-GHTZIAJQSA-N 2 1 373.541 3.529 20 0 FHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000652048263 944503422 /nfs/dbraw/zinc/50/34/22/944503422.db2.gz JHEQJEOSRNQYFX-FQEVSTJZSA-N 2 1 367.537 3.511 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981580 944504651 /nfs/dbraw/zinc/50/46/51/944504651.db2.gz BAJXGHWQTAVNEN-ZMDZVOQKSA-N 2 1 353.554 3.502 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981580 944504654 /nfs/dbraw/zinc/50/46/54/944504654.db2.gz BAJXGHWQTAVNEN-ZMDZVOQKSA-N 2 1 353.554 3.502 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981580 944504657 /nfs/dbraw/zinc/50/46/57/944504657.db2.gz BAJXGHWQTAVNEN-ZMDZVOQKSA-N 2 1 353.554 3.502 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981580 944504659 /nfs/dbraw/zinc/50/46/59/944504659.db2.gz BAJXGHWQTAVNEN-ZMDZVOQKSA-N 2 1 353.554 3.502 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981580 944504662 /nfs/dbraw/zinc/50/46/62/944504662.db2.gz BAJXGHWQTAVNEN-ZMDZVOQKSA-N 2 1 353.554 3.502 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801269 944520518 /nfs/dbraw/zinc/52/05/18/944520518.db2.gz GWXCYLNVRHPTHW-YOEHRIQHSA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801269 944520526 /nfs/dbraw/zinc/52/05/26/944520526.db2.gz GWXCYLNVRHPTHW-YOEHRIQHSA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801269 944520534 /nfs/dbraw/zinc/52/05/34/944520534.db2.gz GWXCYLNVRHPTHW-YOEHRIQHSA-N 2 1 360.420 3.626 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)n2)cc1F ZINC000550239616 944535407 /nfs/dbraw/zinc/53/54/07/944535407.db2.gz WZFQINVKTGWFLL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)n2)cc1F ZINC000550239616 944535412 /nfs/dbraw/zinc/53/54/12/944535412.db2.gz WZFQINVKTGWFLL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)n2)cc1F ZINC000550239616 944535417 /nfs/dbraw/zinc/53/54/17/944535417.db2.gz WZFQINVKTGWFLL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCc1cccs1 ZINC000261990390 944582469 /nfs/dbraw/zinc/58/24/69/944582469.db2.gz KEFLMEBOGFDPMR-UHFFFAOYSA-N 2 1 372.534 3.911 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000517763228 944583486 /nfs/dbraw/zinc/58/34/86/944583486.db2.gz JQOFXNNFWHXZON-UHFFFAOYSA-N 2 1 373.463 3.671 20 0 FHADMP Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093478322 944665311 /nfs/dbraw/zinc/66/53/11/944665311.db2.gz PWNQTWGNRLBUME-QFIPXVFZSA-N 2 1 354.494 3.509 20 0 FHADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093478322 944665313 /nfs/dbraw/zinc/66/53/13/944665313.db2.gz PWNQTWGNRLBUME-QFIPXVFZSA-N 2 1 354.494 3.509 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000418475338 944674815 /nfs/dbraw/zinc/67/48/15/944674815.db2.gz ZBNNQTWYIBVKHH-CMKODMSKSA-N 2 1 372.557 3.502 20 0 FHADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167983853 944682787 /nfs/dbraw/zinc/68/27/87/944682787.db2.gz KAWCELINXIMIFK-VNYJYPEVSA-N 2 1 353.554 3.598 20 0 FHADMP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167983853 944682791 /nfs/dbraw/zinc/68/27/91/944682791.db2.gz KAWCELINXIMIFK-VNYJYPEVSA-N 2 1 353.554 3.598 20 0 FHADMP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167983853 944682808 /nfs/dbraw/zinc/68/28/08/944682808.db2.gz KAWCELINXIMIFK-VNYJYPEVSA-N 2 1 353.554 3.598 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(Cl)c1 ZINC000414933248 944719317 /nfs/dbraw/zinc/71/93/17/944719317.db2.gz UFVJBRZLNYWSHZ-YOEHRIQHSA-N 2 1 351.922 3.733 20 0 FHADMP Fc1cc(Br)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001222457251 944722672 /nfs/dbraw/zinc/72/26/72/944722672.db2.gz DWNLUFYCJNMLQF-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572763 944789398 /nfs/dbraw/zinc/78/93/98/944789398.db2.gz GKYGZVWRVWOCHG-RBUKOAKNSA-N 2 1 363.571 3.654 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000516397474 944794498 /nfs/dbraw/zinc/79/44/98/944794498.db2.gz BDGJLUNZNXXHNW-LJQANCHMSA-N 2 1 357.542 3.524 20 0 FHADMP CC[N@H+](CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000426066450 944801751 /nfs/dbraw/zinc/80/17/51/944801751.db2.gz JXVVBMSDFDSUBU-FUHWJXTLSA-N 2 1 363.512 3.893 20 0 FHADMP CC[N@@H+](CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000426066450 944801757 /nfs/dbraw/zinc/80/17/57/944801757.db2.gz JXVVBMSDFDSUBU-FUHWJXTLSA-N 2 1 363.512 3.893 20 0 FHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)ccc21 ZINC000426083801 944862754 /nfs/dbraw/zinc/86/27/54/944862754.db2.gz IGNJPDNAEJBJKL-NRFANRHFSA-N 2 1 368.525 3.548 20 0 FHADMP Cn1ccnc1[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441675 944864184 /nfs/dbraw/zinc/86/41/84/944864184.db2.gz ACCLMNPLEAAIBJ-TZIWHRDSSA-N 2 1 352.526 3.763 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000093768793 944887607 /nfs/dbraw/zinc/88/76/07/944887607.db2.gz LUNGURFANGLRSC-OXQOHEQNSA-N 2 1 360.523 3.651 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000093768793 944887610 /nfs/dbraw/zinc/88/76/10/944887610.db2.gz LUNGURFANGLRSC-OXQOHEQNSA-N 2 1 360.523 3.651 20 0 FHADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000415003966 944890693 /nfs/dbraw/zinc/89/06/93/944890693.db2.gz NNVKBJWYLVVRKD-QFBILLFUSA-N 2 1 361.530 3.964 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000894324995 944895522 /nfs/dbraw/zinc/89/55/22/944895522.db2.gz LIVSKLUQVJSRTQ-HNAYVOBHSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000894324995 944895525 /nfs/dbraw/zinc/89/55/25/944895525.db2.gz LIVSKLUQVJSRTQ-HNAYVOBHSA-N 2 1 350.466 3.674 20 0 FHADMP CCC[C@]1(C)CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000516489672 944936987 /nfs/dbraw/zinc/93/69/87/944936987.db2.gz DJYDJFKMWZVAKV-JOCHJYFZSA-N 2 1 363.590 3.612 20 0 FHADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000261999217 944938815 /nfs/dbraw/zinc/93/88/15/944938815.db2.gz OYDHMGCPAOZNIV-AWEZNQCLSA-N 2 1 362.905 3.696 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c1 ZINC000414898111 945005501 /nfs/dbraw/zinc/00/55/01/945005501.db2.gz GAASXRYANRFDMK-HXUWFJFHSA-N 2 1 357.502 3.550 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[NH2+]1 ZINC000414951812 945020144 /nfs/dbraw/zinc/02/01/44/945020144.db2.gz QEGBXXGGOROCJF-HOCLYGCPSA-N 2 1 357.885 3.822 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[NH2+]1 ZINC000414952424 945024494 /nfs/dbraw/zinc/02/44/94/945024494.db2.gz QSELFSHZHVGEFZ-KOLCDFICSA-N 2 1 367.209 3.578 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437106114 945027549 /nfs/dbraw/zinc/02/75/49/945027549.db2.gz UUEOXFRAACTGTN-LSWJPFSZSA-N 2 1 363.549 3.795 20 0 FHADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675083 945382240 /nfs/dbraw/zinc/38/22/40/945382240.db2.gz FZKVUDCQTNKLRC-UHFFFAOYSA-N 2 1 360.505 3.935 20 0 FHADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427469966 945400276 /nfs/dbraw/zinc/40/02/76/945400276.db2.gz OXCGDEFGMYOBCF-TZIWHRDSSA-N 2 1 371.569 3.525 20 0 FHADMP C[C@H](CCc1ccccc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000519498367 945491103 /nfs/dbraw/zinc/49/11/03/945491103.db2.gz FJLCXKUWAIUYEC-JOCHJYFZSA-N 2 1 365.565 3.757 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000281029775 945501909 /nfs/dbraw/zinc/50/19/09/945501909.db2.gz PBHRZQWHPCZQHS-IBGZPJMESA-N 2 1 370.497 3.615 20 0 FHADMP Clc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167987702 945569903 /nfs/dbraw/zinc/56/99/03/945569903.db2.gz MNFNZBOXEATEIY-WCRBZPEASA-N 2 1 359.945 3.867 20 0 FHADMP Clc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167987702 945569913 /nfs/dbraw/zinc/56/99/13/945569913.db2.gz MNFNZBOXEATEIY-WCRBZPEASA-N 2 1 359.945 3.867 20 0 FHADMP C[N@@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417516 945595787 /nfs/dbraw/zinc/59/57/87/945595787.db2.gz PCNNGOCZXNUUEV-YOFSQIOKSA-N 2 1 373.541 3.768 20 0 FHADMP C[NH+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417516 945595791 /nfs/dbraw/zinc/59/57/91/945595791.db2.gz PCNNGOCZXNUUEV-YOFSQIOKSA-N 2 1 373.541 3.768 20 0 FHADMP C[NH+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417516 945595798 /nfs/dbraw/zinc/59/57/98/945595798.db2.gz PCNNGOCZXNUUEV-YOFSQIOKSA-N 2 1 373.541 3.768 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000579063056 945738551 /nfs/dbraw/zinc/73/85/51/945738551.db2.gz QJWHBJHFUJBPPP-KRWDZBQOSA-N 2 1 351.485 3.696 20 0 FHADMP COC(=O)CC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168049174 945756795 /nfs/dbraw/zinc/75/67/95/945756795.db2.gz YYFFBNIPFRFJQW-RMFSNUHRSA-N 2 1 358.526 3.703 20 0 FHADMP [NH3+]C1CCN(c2nc(NC3c4ccccc4-c4ccccc43)cc[nH+]2)CC1 ZINC001167775948 945772744 /nfs/dbraw/zinc/77/27/44/945772744.db2.gz CCCOAGWUJPZGAX-UHFFFAOYSA-N 2 1 357.461 3.586 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000651758576 945848908 /nfs/dbraw/zinc/84/89/08/945848908.db2.gz FIOQXXHJAMHNHZ-HUUCEWRRSA-N 2 1 350.478 3.586 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000651758576 945848921 /nfs/dbraw/zinc/84/89/21/945848921.db2.gz FIOQXXHJAMHNHZ-HUUCEWRRSA-N 2 1 350.478 3.586 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415945883 945931898 /nfs/dbraw/zinc/93/18/98/945931898.db2.gz RYILWNWWTAFTRI-UWJYYQICSA-N 2 1 366.509 3.581 20 0 FHADMP Clc1cc(Cl)cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655700762 946049593 /nfs/dbraw/zinc/04/95/93/946049593.db2.gz PAACAOMLSBRTNI-GOSISDBHSA-N 2 1 357.325 3.769 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000522893114 946073904 /nfs/dbraw/zinc/07/39/04/946073904.db2.gz HWVYHOMZMOPUGE-NQIIRXRSSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000522893114 946073917 /nfs/dbraw/zinc/07/39/17/946073917.db2.gz HWVYHOMZMOPUGE-NQIIRXRSSA-N 2 1 357.542 3.552 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1 ZINC000651883845 946157923 /nfs/dbraw/zinc/15/79/23/946157923.db2.gz RVLQLAXATIEFTJ-GAJHUEQPSA-N 2 1 361.489 3.708 20 0 FHADMP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000302504256 946238298 /nfs/dbraw/zinc/23/82/98/946238298.db2.gz PSNQGVRENXBFQP-ZDUSSCGKSA-N 2 1 367.415 3.535 20 0 FHADMP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[N@H+]1CC(C)(C)O ZINC000302504256 946238311 /nfs/dbraw/zinc/23/83/11/946238311.db2.gz PSNQGVRENXBFQP-ZDUSSCGKSA-N 2 1 367.415 3.535 20 0 FHADMP Cc1sc2nc([C@H](C)[NH+]3CCC(C[NH+]4CCCC4)CC3)nc(N)c2c1C ZINC000103143656 946250515 /nfs/dbraw/zinc/25/05/15/946250515.db2.gz IKNLTOBGSPOLDE-AWEZNQCLSA-N 2 1 373.570 3.759 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752163 946309802 /nfs/dbraw/zinc/30/98/02/946309802.db2.gz UVEPHRFFUJBWCL-LPHOPBHVSA-N 2 1 369.509 3.953 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056013 946320123 /nfs/dbraw/zinc/32/01/23/946320123.db2.gz ZWTQOSCBSVSWOA-MHXAIHSWSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056013 946320136 /nfs/dbraw/zinc/32/01/36/946320136.db2.gz ZWTQOSCBSVSWOA-MHXAIHSWSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056013 946320148 /nfs/dbraw/zinc/32/01/48/946320148.db2.gz ZWTQOSCBSVSWOA-MHXAIHSWSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1CC([N@H+]2CC[C@H](Oc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056014 946320401 /nfs/dbraw/zinc/32/04/01/946320401.db2.gz ZWTQOSCBSVSWOA-PWHSHALESA-N 2 1 365.521 3.976 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271548 946383765 /nfs/dbraw/zinc/38/37/65/946383765.db2.gz RBXZGZCEXGTODY-KAGYGMCKSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271548 946383771 /nfs/dbraw/zinc/38/37/71/946383771.db2.gz RBXZGZCEXGTODY-KAGYGMCKSA-N 2 1 367.493 3.557 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000893488455 946439242 /nfs/dbraw/zinc/43/92/42/946439242.db2.gz USLZHZHDCUPRQC-KRWDZBQOSA-N 2 1 364.411 3.620 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1(C)C ZINC000441350654 946503015 /nfs/dbraw/zinc/50/30/15/946503015.db2.gz CADGAOXSBCAOHJ-UHFFFAOYSA-N 2 1 361.530 3.670 20 0 FHADMP CCN(C(C)=O)C1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056996 946536981 /nfs/dbraw/zinc/53/69/81/946536981.db2.gz LIOKNOZWFFILSC-BBIADKPPSA-N 2 1 371.569 3.761 20 0 FHADMP Cc1nnc([C@@H]2CCC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058208 946606169 /nfs/dbraw/zinc/60/61/69/946606169.db2.gz PCYCNKFTBDGLDH-HRQSHJORSA-N 2 1 368.525 3.999 20 0 FHADMP Cc1nnc([C@@H]2CCC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058208 946606174 /nfs/dbraw/zinc/60/61/74/946606174.db2.gz PCYCNKFTBDGLDH-HRQSHJORSA-N 2 1 368.525 3.999 20 0 FHADMP Cc1nnc([C@@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058208 946606183 /nfs/dbraw/zinc/60/61/83/946606183.db2.gz PCYCNKFTBDGLDH-HRQSHJORSA-N 2 1 368.525 3.999 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168058733 946626989 /nfs/dbraw/zinc/62/69/89/946626989.db2.gz BZCKYTTTZNAVDG-LXZJYRNTSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168058733 946626991 /nfs/dbraw/zinc/62/69/91/946626991.db2.gz BZCKYTTTZNAVDG-LXZJYRNTSA-N 2 1 358.526 3.702 20 0 FHADMP Fc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1-n1ccnc1 ZINC000473918903 946699148 /nfs/dbraw/zinc/69/91/48/946699148.db2.gz JZDFXGCVICECDB-UHFFFAOYSA-N 2 1 356.489 3.898 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@H+](C)C(C)C)c2)cc1 ZINC000030640105 946723953 /nfs/dbraw/zinc/72/39/53/946723953.db2.gz NZBAAUZGTKCCMB-UHFFFAOYSA-N 2 1 369.509 3.767 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c2)cc1 ZINC000030640105 946723964 /nfs/dbraw/zinc/72/39/64/946723964.db2.gz NZBAAUZGTKCCMB-UHFFFAOYSA-N 2 1 369.509 3.767 20 0 FHADMP COC(=O)[C@@H]1C[C@@H](C)C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059874 946741069 /nfs/dbraw/zinc/74/10/69/946741069.db2.gz HKPMYTMAYHXNSY-BBPUYGCGSA-N 2 1 358.526 3.559 20 0 FHADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059874 946741082 /nfs/dbraw/zinc/74/10/82/946741082.db2.gz HKPMYTMAYHXNSY-BBPUYGCGSA-N 2 1 358.526 3.559 20 0 FHADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059874 946741095 /nfs/dbraw/zinc/74/10/95/946741095.db2.gz HKPMYTMAYHXNSY-BBPUYGCGSA-N 2 1 358.526 3.559 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417972070 946762757 /nfs/dbraw/zinc/76/27/57/946762757.db2.gz SLALLRXPNHDGET-UHFFFAOYSA-N 2 1 353.510 3.518 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000550358142 946774776 /nfs/dbraw/zinc/77/47/76/946774776.db2.gz ZIMSAULFOOLRLH-UXHICEINSA-N 2 1 359.558 3.656 20 0 FHADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270484 946803581 /nfs/dbraw/zinc/80/35/81/946803581.db2.gz RDHHZQQCEYMNKG-YJBOKZPZSA-N 2 1 369.475 3.990 20 0 FHADMP CCNC(=O)OC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168060754 946823692 /nfs/dbraw/zinc/82/36/92/946823692.db2.gz YAFJFIUWXHWURN-OPVJXMOQSA-N 2 1 373.541 3.639 20 0 FHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475298306 946836415 /nfs/dbraw/zinc/83/64/15/946836415.db2.gz ZJXWFLBUDAEQTB-HXUWFJFHSA-N 2 1 371.569 3.525 20 0 FHADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348001 946879319 /nfs/dbraw/zinc/87/93/19/946879319.db2.gz RHSXPCRUXWNICY-VUNQQRPYSA-N 2 1 354.441 3.567 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349019 946888797 /nfs/dbraw/zinc/88/87/97/946888797.db2.gz ZBEYQMFRYMOGQG-NNMXDRDESA-N 2 1 367.493 3.592 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC(n3ccnc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061366 946889831 /nfs/dbraw/zinc/88/98/31/946889831.db2.gz IBNWWSPKTKUBMN-HATOLVCRSA-N 2 1 352.526 3.962 20 0 FHADMP Cc1ccc([C@]2(C)CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCO2)cc1 ZINC001167995015 946891738 /nfs/dbraw/zinc/89/17/38/946891738.db2.gz UDUVXDDQOUAIGB-KORDQABASA-N 2 1 354.538 3.948 20 0 FHADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)ccn1 ZINC000432254240 946966604 /nfs/dbraw/zinc/96/66/04/946966604.db2.gz NPNRWCKCGQIFOX-UHFFFAOYSA-N 2 1 372.271 3.758 20 0 FHADMP c1ccc(SC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655711153 946979677 /nfs/dbraw/zinc/97/96/77/946979677.db2.gz HHMDNHFUCUVWIZ-LJQANCHMSA-N 2 1 360.567 3.934 20 0 FHADMP C[C@@H]1C[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062689 946984034 /nfs/dbraw/zinc/98/40/34/946984034.db2.gz LQVQSFNSGRUDEE-KOUHRCEDSA-N 2 1 352.526 3.964 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167906421 947005672 /nfs/dbraw/zinc/00/56/72/947005672.db2.gz HYXHBCIBKAAFLD-LPHOPBHVSA-N 2 1 371.529 3.528 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933837 947020810 /nfs/dbraw/zinc/02/08/10/947020810.db2.gz GLNXZSPHRLFCOY-QZTJIDSGSA-N 2 1 353.510 3.615 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933837 947020835 /nfs/dbraw/zinc/02/08/35/947020835.db2.gz GLNXZSPHRLFCOY-QZTJIDSGSA-N 2 1 353.510 3.615 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933837 947020822 /nfs/dbraw/zinc/02/08/22/947020822.db2.gz GLNXZSPHRLFCOY-QZTJIDSGSA-N 2 1 353.510 3.615 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933837 947020848 /nfs/dbraw/zinc/02/08/48/947020848.db2.gz GLNXZSPHRLFCOY-QZTJIDSGSA-N 2 1 353.510 3.615 20 0 FHADMP c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2cccc(N3CC[NH2+]CC3)c12 ZINC001167995821 947038188 /nfs/dbraw/zinc/03/81/88/947038188.db2.gz QZFOQFASDUSFTN-YOFSQIOKSA-N 2 1 364.537 3.629 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC(N3CC(F)C3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063962 947044755 /nfs/dbraw/zinc/04/47/55/947044755.db2.gz OSDDSOWHJVAZLA-OPMZPASUSA-N 2 1 359.533 3.546 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000444598512 947045392 /nfs/dbraw/zinc/04/53/92/947045392.db2.gz QSRZXLPFMBIZRL-HSZRJFAPSA-N 2 1 355.570 3.851 20 0 FHADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CCC2 ZINC000192898198 947066027 /nfs/dbraw/zinc/06/60/27/947066027.db2.gz VHMFYZHRMVLMQC-INIZCTEOSA-N 2 1 359.470 3.717 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167949715 947084119 /nfs/dbraw/zinc/08/41/19/947084119.db2.gz LJJUHLNDGUKBAY-QFBILLFUSA-N 2 1 371.529 3.528 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192923535 947105409 /nfs/dbraw/zinc/10/54/09/947105409.db2.gz YJDBHSLVYXDJRG-NQIIRXRSSA-N 2 1 368.521 3.747 20 0 FHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444689400 947113771 /nfs/dbraw/zinc/11/37/71/947113771.db2.gz NHINYOLHJJIZGF-UHFFFAOYSA-N 2 1 355.530 3.601 20 0 FHADMP Brc1ccc2[nH+]ccc(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000301099512 947177081 /nfs/dbraw/zinc/17/70/81/947177081.db2.gz HJRQWLKZAVOUKF-UHFFFAOYSA-N 2 1 369.266 3.719 20 0 FHADMP Brc1ccc2c(NCCCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301323632 947286013 /nfs/dbraw/zinc/28/60/13/947286013.db2.gz WGWQJHGZPBEDGE-UHFFFAOYSA-N 2 1 364.287 3.522 20 0 FHADMP CC[C@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000662108782 947299402 /nfs/dbraw/zinc/29/94/02/947299402.db2.gz QFTIBCLDPLSDLA-OAQYLSRUSA-N 2 1 357.542 3.591 20 0 FHADMP COc1ccc(OC)c(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000662250250 947673052 /nfs/dbraw/zinc/67/30/52/947673052.db2.gz CDKMNLVBXNETQU-UHFFFAOYSA-N 2 1 352.478 3.514 20 0 FHADMP FC(F)(F)c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256122 947677948 /nfs/dbraw/zinc/67/79/48/947677948.db2.gz GQFWGCDLYXWPQQ-DLBZAZTESA-N 2 1 354.416 3.753 20 0 FHADMP OCCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000662255689 947678309 /nfs/dbraw/zinc/67/83/09/947678309.db2.gz DGWVSSIILPWFQB-HSZRJFAPSA-N 2 1 350.506 3.594 20 0 FHADMP c1ccc(C[N@H+](CCc2nsc3ccccc23)[C@H]2CCC[NH2+]CC2)nc1 ZINC000662263796 947682474 /nfs/dbraw/zinc/68/24/74/947682474.db2.gz NEMDILMKIOVYHR-SFHVURJKSA-N 2 1 366.534 3.878 20 0 FHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265088 947684396 /nfs/dbraw/zinc/68/43/96/947684396.db2.gz WATJTVDBSVTNQF-WMZOPIPTSA-N 2 1 371.550 3.941 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285146 947703797 /nfs/dbraw/zinc/70/37/97/947703797.db2.gz YBIOIWUZGBOZSB-BPQIPLTHSA-N 2 1 354.947 3.793 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285149 947703907 /nfs/dbraw/zinc/70/39/07/947703907.db2.gz YBIOIWUZGBOZSB-NXHRZFHOSA-N 2 1 354.947 3.793 20 0 FHADMP Cc1cc(Cl)ccc1Oc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286465 947710254 /nfs/dbraw/zinc/71/02/54/947710254.db2.gz HZSFWSXPGZUEFI-UHFFFAOYSA-N 2 1 360.885 3.645 20 0 FHADMP CC(C)[NH+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)C ZINC000236784963 947711012 /nfs/dbraw/zinc/71/10/12/947711012.db2.gz FQZDTMYGYZYYPX-AYHJJNSGSA-N 2 1 353.551 3.625 20 0 FHADMP Cc1cc(Cl)cc(Cl)c1CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167796961 947711661 /nfs/dbraw/zinc/71/16/61/947711661.db2.gz ZHBPIUZSNOGFGM-UHFFFAOYSA-N 2 1 366.296 3.631 20 0 FHADMP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294081 947715950 /nfs/dbraw/zinc/71/59/50/947715950.db2.gz OWGMXOVWCGXXFH-QAPCUYQASA-N 2 1 370.497 3.518 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)n1 ZINC000662296104 947721062 /nfs/dbraw/zinc/72/10/62/947721062.db2.gz XUQIVZPOQCMQMT-OAQYLSRUSA-N 2 1 352.526 3.701 20 0 FHADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295759 947722642 /nfs/dbraw/zinc/72/26/42/947722642.db2.gz SQHVAUCVSFNTFZ-SFHVURJKSA-N 2 1 357.542 3.634 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306297 947732760 /nfs/dbraw/zinc/73/27/60/947732760.db2.gz QDTNRGDHTKDJIJ-PXNSSMCTSA-N 2 1 358.457 3.722 20 0 FHADMP C[C@H](c1ccccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326979 947747652 /nfs/dbraw/zinc/74/76/52/947747652.db2.gz BXUGFODVXGIRSG-OAHLLOKOSA-N 2 1 356.489 3.956 20 0 FHADMP CO[C@H](C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CCCCC1 ZINC000662327130 947751133 /nfs/dbraw/zinc/75/11/33/947751133.db2.gz KCEFRHGDXJWRHB-JOCHJYFZSA-N 2 1 374.573 3.651 20 0 FHADMP c1cc(CCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cs1 ZINC000662327109 947758356 /nfs/dbraw/zinc/75/83/56/947758356.db2.gz JNQZBDFKBZSQCN-UHFFFAOYSA-N 2 1 358.555 3.750 20 0 FHADMP Cc1ccc(F)cc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328229 947758545 /nfs/dbraw/zinc/75/85/45/947758545.db2.gz ZTYGBWJLZWOHIV-UHFFFAOYSA-N 2 1 356.489 3.704 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](NC[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805394 /nfs/dbraw/zinc/80/53/94/947805394.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805404 /nfs/dbraw/zinc/80/54/04/947805404.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805414 /nfs/dbraw/zinc/80/54/14/947805414.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805427 /nfs/dbraw/zinc/80/54/27/947805427.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805433 /nfs/dbraw/zinc/80/54/33/947805433.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 2 1 367.581 3.895 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344076 947807542 /nfs/dbraw/zinc/80/75/42/947807542.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344076 947807551 /nfs/dbraw/zinc/80/75/51/947807551.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344076 947807565 /nfs/dbraw/zinc/80/75/65/947807565.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344076 947807575 /nfs/dbraw/zinc/80/75/75/947807575.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344076 947807583 /nfs/dbraw/zinc/80/75/83/947807583.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344076 947807589 /nfs/dbraw/zinc/80/75/89/947807589.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344076 947807600 /nfs/dbraw/zinc/80/76/00/947807600.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344076 947807607 /nfs/dbraw/zinc/80/76/07/947807607.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344076 947807620 /nfs/dbraw/zinc/80/76/20/947807620.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 3 1 355.570 3.751 20 0 FHADMP FC(F)(F)COc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346952 947814759 /nfs/dbraw/zinc/81/47/59/947814759.db2.gz YMRNNPQPFIYDTN-INIZCTEOSA-N 2 1 356.432 3.839 20 0 FHADMP FC(F)(F)COc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346952 947814765 /nfs/dbraw/zinc/81/47/65/947814765.db2.gz YMRNNPQPFIYDTN-INIZCTEOSA-N 2 1 356.432 3.839 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347244 947818006 /nfs/dbraw/zinc/81/80/06/947818006.db2.gz HWJBZBZFLYNFAE-HNNXBMFYSA-N 2 1 352.906 3.569 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347244 947818020 /nfs/dbraw/zinc/81/80/20/947818020.db2.gz HWJBZBZFLYNFAE-HNNXBMFYSA-N 2 1 352.906 3.569 20 0 FHADMP Fc1cc(Br)ccc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347761 947819252 /nfs/dbraw/zinc/81/92/52/947819252.db2.gz USTQBYAPYQZYTG-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347761 947819256 /nfs/dbraw/zinc/81/92/56/947819256.db2.gz USTQBYAPYQZYTG-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347761 947819264 /nfs/dbraw/zinc/81/92/64/947819264.db2.gz USTQBYAPYQZYTG-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347762 947819500 /nfs/dbraw/zinc/81/95/00/947819500.db2.gz UTWOQUMYKHBVRE-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347762 947819506 /nfs/dbraw/zinc/81/95/06/947819506.db2.gz UTWOQUMYKHBVRE-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347762 947819510 /nfs/dbraw/zinc/81/95/10/947819510.db2.gz UTWOQUMYKHBVRE-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347763 947819844 /nfs/dbraw/zinc/81/98/44/947819844.db2.gz UTWOQUMYKHBVRE-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347763 947819855 /nfs/dbraw/zinc/81/98/55/947819855.db2.gz UTWOQUMYKHBVRE-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347763 947819864 /nfs/dbraw/zinc/81/98/64/947819864.db2.gz UTWOQUMYKHBVRE-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1F ZINC000662684456 947983193 /nfs/dbraw/zinc/98/31/93/947983193.db2.gz ZFLONVLSFVWWSQ-LJQANCHMSA-N 2 1 359.420 3.589 20 0 FHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663444030 948022564 /nfs/dbraw/zinc/02/25/64/948022564.db2.gz HWJKGUVLCOZPFI-HNNXBMFYSA-N 2 1 366.328 3.942 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466999 948056673 /nfs/dbraw/zinc/05/66/73/948056673.db2.gz YNUKVLUBZUIUTE-PKOBYXMFSA-N 2 1 352.526 3.860 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466999 948056678 /nfs/dbraw/zinc/05/66/78/948056678.db2.gz YNUKVLUBZUIUTE-PKOBYXMFSA-N 2 1 352.526 3.860 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467070 948056768 /nfs/dbraw/zinc/05/67/68/948056768.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467070 948056771 /nfs/dbraw/zinc/05/67/71/948056771.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467070 948056774 /nfs/dbraw/zinc/05/67/74/948056774.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467070 948056780 /nfs/dbraw/zinc/05/67/80/948056780.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467070 948056786 /nfs/dbraw/zinc/05/67/86/948056786.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467070 948056792 /nfs/dbraw/zinc/05/67/92/948056792.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467070 948056797 /nfs/dbraw/zinc/05/67/97/948056797.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467070 948056800 /nfs/dbraw/zinc/05/68/00/948056800.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467070 948056804 /nfs/dbraw/zinc/05/68/04/948056804.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 2 1 355.570 3.609 20 0 FHADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168001344 948063284 /nfs/dbraw/zinc/06/32/84/948063284.db2.gz ASAUQVQKDFXVIM-CCDCCJRHSA-N 2 1 374.569 3.837 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663470624 948066437 /nfs/dbraw/zinc/06/64/37/948066437.db2.gz VQNXCQRDRBSEKJ-ROUUACIJSA-N 2 1 367.537 3.745 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccc(F)cc1 ZINC000166238017 948098151 /nfs/dbraw/zinc/09/81/51/948098151.db2.gz QWYFIVDSVKXTPH-PZJWPPBQSA-N 2 1 367.468 3.794 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1ccc(F)cc1 ZINC000166238017 948098159 /nfs/dbraw/zinc/09/81/59/948098159.db2.gz QWYFIVDSVKXTPH-PZJWPPBQSA-N 2 1 367.468 3.794 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823546 948100472 /nfs/dbraw/zinc/10/04/72/948100472.db2.gz DIEHFINRDBBMTD-OFNKIYASSA-N 2 1 371.569 3.934 20 0 FHADMP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167824722 948112558 /nfs/dbraw/zinc/11/25/58/948112558.db2.gz FYNACJUCYUTTLM-MSOLQXFVSA-N 2 1 355.567 3.828 20 0 FHADMP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2ccc(F)cc2)CC1 ZINC000643538267 948197131 /nfs/dbraw/zinc/19/71/31/948197131.db2.gz CVEDVVVECAYDCW-PCCBWWKXSA-N 2 1 365.512 3.669 20 0 FHADMP COc1c(F)cccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001143528495 948208986 /nfs/dbraw/zinc/20/89/86/948208986.db2.gz DPDDGHZLISFBBM-UHFFFAOYSA-N 2 1 358.457 3.915 20 0 FHADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168002395 948234087 /nfs/dbraw/zinc/23/40/87/948234087.db2.gz QUDFOFVQURDXQS-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432368427 948240633 /nfs/dbraw/zinc/24/06/33/948240633.db2.gz PUKHPMSQMPXNOA-HZPDHXFCSA-N 2 1 369.347 3.643 20 0 FHADMP Nc1cccc2c1cc[nH+]c2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000663591332 948266879 /nfs/dbraw/zinc/26/68/79/948266879.db2.gz NNLUGKLDOWUURY-UHFFFAOYSA-N 2 1 362.477 3.904 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167836561 948307010 /nfs/dbraw/zinc/30/70/10/948307010.db2.gz FHEKKPMKWRUSMK-OKZBNKHCSA-N 2 1 355.567 3.827 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001167839550 948314564 /nfs/dbraw/zinc/31/45/64/948314564.db2.gz ZYPAMRMZLMXOSN-GBESFXJTSA-N 2 1 367.578 3.686 20 0 FHADMP CCOc1ccc(Cl)cc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512059564 948329079 /nfs/dbraw/zinc/32/90/79/948329079.db2.gz ROVBTAQNXWRGNW-UHFFFAOYSA-N 2 1 353.919 3.589 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409732 948352739 /nfs/dbraw/zinc/35/27/39/948352739.db2.gz IMBZIFBKHKNWRW-HOTGVXAUSA-N 2 1 374.447 3.779 20 0 FHADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166851133 948355344 /nfs/dbraw/zinc/35/53/44/948355344.db2.gz JCQKMWRTTVWRIJ-QZNHQXDQSA-N 2 1 366.505 3.515 20 0 FHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410820 948356216 /nfs/dbraw/zinc/35/62/16/948356216.db2.gz RYUFDUWRSVSNPS-YJBOKZPZSA-N 2 1 369.347 3.991 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410820 948356225 /nfs/dbraw/zinc/35/62/25/948356225.db2.gz RYUFDUWRSVSNPS-YJBOKZPZSA-N 2 1 369.347 3.991 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2)C1 ZINC001167842024 948374062 /nfs/dbraw/zinc/37/40/62/948374062.db2.gz VZYLLWJLPDPYBS-AHRSYUTCSA-N 2 1 364.505 3.525 20 0 FHADMP CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000520604323 948377699 /nfs/dbraw/zinc/37/76/99/948377699.db2.gz DHACVFTVKCMTER-KRWDZBQOSA-N 2 1 371.529 3.907 20 0 FHADMP CCC[N@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784759 948380949 /nfs/dbraw/zinc/38/09/49/948380949.db2.gz SWRIKLVKNBXPJF-CTNGQTDRSA-N 2 1 374.573 3.979 20 0 FHADMP CCC[N@@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784759 948380958 /nfs/dbraw/zinc/38/09/58/948380958.db2.gz SWRIKLVKNBXPJF-CTNGQTDRSA-N 2 1 374.573 3.979 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432422620 948384408 /nfs/dbraw/zinc/38/44/08/948384408.db2.gz GHUDRAIZUFZQTE-QFBILLFUSA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432422620 948384411 /nfs/dbraw/zinc/38/44/11/948384411.db2.gz GHUDRAIZUFZQTE-QFBILLFUSA-N 2 1 366.933 3.953 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167842482 948385346 /nfs/dbraw/zinc/38/53/46/948385346.db2.gz XYZUULAUCVITCR-BZSNNMDCSA-N 2 1 355.567 3.827 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842896 948396894 /nfs/dbraw/zinc/39/68/94/948396894.db2.gz ZOWWKFLRYFFTIZ-VGSWGCGISA-N 2 1 358.526 3.838 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427533 948397464 /nfs/dbraw/zinc/39/74/64/948397464.db2.gz ZFTFBEWMFWJGEF-MAUKXSAKSA-N 2 1 356.457 3.830 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512135390 948524324 /nfs/dbraw/zinc/52/43/24/948524324.db2.gz JOPWZPRYIAICAO-QGZVFWFLSA-N 2 1 372.582 3.726 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512135390 948524329 /nfs/dbraw/zinc/52/43/29/948524329.db2.gz JOPWZPRYIAICAO-QGZVFWFLSA-N 2 1 372.582 3.726 20 0 FHADMP COCCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512178289 948670900 /nfs/dbraw/zinc/67/09/00/948670900.db2.gz ISLHACKWXXSVGD-NRFANRHFSA-N 2 1 360.542 3.656 20 0 FHADMP COCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000512178289 948670905 /nfs/dbraw/zinc/67/09/05/948670905.db2.gz ISLHACKWXXSVGD-NRFANRHFSA-N 2 1 360.542 3.656 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@@H]12 ZINC000536475374 948713341 /nfs/dbraw/zinc/71/33/41/948713341.db2.gz FRCNFIHYPSIYRA-UGKANONSSA-N 2 1 374.573 3.766 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@@H]12 ZINC000536475374 948713345 /nfs/dbraw/zinc/71/33/45/948713345.db2.gz FRCNFIHYPSIYRA-UGKANONSSA-N 2 1 374.573 3.766 20 0 FHADMP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517284 568111896 /nfs/dbraw/zinc/11/18/96/568111896.db2.gz NFFAFWDSELBDMH-LJQANCHMSA-N 2 1 354.494 3.581 20 0 FHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000604414992 568279616 /nfs/dbraw/zinc/27/96/16/568279616.db2.gz ZXGLNCNXRCLYRH-OAQYLSRUSA-N 2 1 373.516 3.756 20 0 FHADMP C[N@H+]1CCC[C@H](CNCc2cn[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165436 568593821 /nfs/dbraw/zinc/59/38/21/568593821.db2.gz BNOLDFCUBNKKBS-WBVHZDCISA-N 2 1 352.404 3.601 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165436 568593823 /nfs/dbraw/zinc/59/38/23/568593823.db2.gz BNOLDFCUBNKKBS-WBVHZDCISA-N 2 1 352.404 3.601 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165436 568593824 /nfs/dbraw/zinc/59/38/24/568593824.db2.gz BNOLDFCUBNKKBS-WBVHZDCISA-N 2 1 352.404 3.601 20 0 FHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050030005 568664293 /nfs/dbraw/zinc/66/42/93/568664293.db2.gz MYNKEPDCXZKQCC-HXUWFJFHSA-N 2 1 351.494 3.599 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736197997 599338162 /nfs/dbraw/zinc/33/81/62/599338162.db2.gz OXYWQUHDLDCVPE-MSOLQXFVSA-N 2 1 368.529 3.516 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435384 608550821 /nfs/dbraw/zinc/55/08/21/608550821.db2.gz WNZHKMUXGUTXSM-MRXNPFEDSA-N 2 1 364.497 3.511 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164686267 719601821 /nfs/dbraw/zinc/60/18/21/719601821.db2.gz ZNJBYDGUAKHTTL-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164686267 719601826 /nfs/dbraw/zinc/60/18/26/719601826.db2.gz ZNJBYDGUAKHTTL-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841903 720655421 /nfs/dbraw/zinc/65/54/21/720655421.db2.gz QWDDPKGLJFTTRJ-HXUWFJFHSA-N 2 1 351.494 3.650 20 0 FHADMP Cc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841903 720655423 /nfs/dbraw/zinc/65/54/23/720655423.db2.gz QWDDPKGLJFTTRJ-HXUWFJFHSA-N 2 1 351.494 3.650 20 0 FHADMP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001164836998 720717284 /nfs/dbraw/zinc/71/72/84/720717284.db2.gz CPEVTTFQELDBRT-NRFANRHFSA-N 2 1 365.521 3.958 20 0 FHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC3(C2)CC[NH+](CC2CC2)C3)nc1 ZINC001164775223 721302276 /nfs/dbraw/zinc/30/22/76/721302276.db2.gz TWARIFQWQBMZEP-NRFANRHFSA-N 2 1 368.569 3.941 20 0 FHADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1 ZINC001164775223 721302279 /nfs/dbraw/zinc/30/22/79/721302279.db2.gz TWARIFQWQBMZEP-NRFANRHFSA-N 2 1 368.569 3.941 20 0 FHADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC001164775223 721302283 /nfs/dbraw/zinc/30/22/83/721302283.db2.gz TWARIFQWQBMZEP-NRFANRHFSA-N 2 1 368.569 3.941 20 0 FHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC3(C2)CC[NH+](CC2CC2)C3)nc1 ZINC001164775225 721302634 /nfs/dbraw/zinc/30/26/34/721302634.db2.gz TWARIFQWQBMZEP-OAQYLSRUSA-N 2 1 368.569 3.941 20 0 FHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1 ZINC001164775225 721302637 /nfs/dbraw/zinc/30/26/37/721302637.db2.gz TWARIFQWQBMZEP-OAQYLSRUSA-N 2 1 368.569 3.941 20 0 FHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC001164775225 721302641 /nfs/dbraw/zinc/30/26/41/721302641.db2.gz TWARIFQWQBMZEP-OAQYLSRUSA-N 2 1 368.569 3.941 20 0 FHADMP Cc1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]c1C ZINC001164791341 721494034 /nfs/dbraw/zinc/49/40/34/721494034.db2.gz AWORYOGISSLQBN-UHFFFAOYSA-N 2 1 350.510 3.974 20 0 FHADMP CCc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C)[nH+]1 ZINC001164795860 721497666 /nfs/dbraw/zinc/49/76/66/721497666.db2.gz MCNQMPVDDBUJSP-UHFFFAOYSA-N 2 1 365.525 3.623 20 0 FHADMP CCc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C)[nH+]1 ZINC001164795860 721497667 /nfs/dbraw/zinc/49/76/67/721497667.db2.gz MCNQMPVDDBUJSP-UHFFFAOYSA-N 2 1 365.525 3.623 20 0 FHADMP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026122 721811270 /nfs/dbraw/zinc/81/12/70/721811270.db2.gz PGAAMVMZFWNBRV-WMQCIHAUSA-N 2 1 366.509 3.612 20 0 FHADMP Cc1cc2[nH]ccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164952118 722018994 /nfs/dbraw/zinc/01/89/94/722018994.db2.gz HLCOJQQQJJUACV-UHFFFAOYSA-N 2 1 361.493 3.759 20 0 FHADMP CCC[N@H+](CCN1CCCC1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000583111551 937128796 /nfs/dbraw/zinc/12/87/96/937128796.db2.gz YPYPEMAPCDYVEC-UHFFFAOYSA-N 2 1 372.601 3.525 20 0 FHADMP CCC[N@@H+](CCN1CCCC1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000583111551 937128797 /nfs/dbraw/zinc/12/87/97/937128797.db2.gz YPYPEMAPCDYVEC-UHFFFAOYSA-N 2 1 372.601 3.525 20 0 FHADMP Cn1ccnc1[C@H]1CCN(Cc2cccc(Br)c2Cl)C1 ZINC000583329735 927135123 /nfs/dbraw/zinc/13/51/23/927135123.db2.gz ADNGCVWJNMEZQW-LBPRGKRZSA-N 2 1 354.679 3.826 20 0 FHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148805 927349122 /nfs/dbraw/zinc/34/91/22/927349122.db2.gz OJJCQKATICEQQG-QFIPXVFZSA-N 2 1 352.526 3.697 20 0 FHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148805 927349134 /nfs/dbraw/zinc/34/91/34/927349134.db2.gz OJJCQKATICEQQG-QFIPXVFZSA-N 2 1 352.526 3.697 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148805 927349148 /nfs/dbraw/zinc/34/91/48/927349148.db2.gz OJJCQKATICEQQG-QFIPXVFZSA-N 2 1 352.526 3.697 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430148805 927349165 /nfs/dbraw/zinc/34/91/65/927349165.db2.gz OJJCQKATICEQQG-QFIPXVFZSA-N 2 1 352.526 3.697 20 0 FHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000583135046 937156977 /nfs/dbraw/zinc/15/69/77/937156977.db2.gz JMIHWKQVNLEDME-ROUUACIJSA-N 2 1 358.448 3.899 20 0 FHADMP Brc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546328 927426575 /nfs/dbraw/zinc/42/65/75/927426575.db2.gz MPPHYUUDKODSKI-CZUORRHYSA-N 2 1 365.315 3.927 20 0 FHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654858082 927434153 /nfs/dbraw/zinc/43/41/53/927434153.db2.gz ZHYCPLNAIAKPCH-HXUWFJFHSA-N 2 1 351.494 3.517 20 0 FHADMP CC[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072559 927674246 /nfs/dbraw/zinc/67/42/46/927674246.db2.gz PTOSWPLHVBREOT-CEWLAPEOSA-N 2 1 359.558 3.524 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1F ZINC000150804457 937209276 /nfs/dbraw/zinc/20/92/76/937209276.db2.gz JYAOAMSCRVJPRC-QGZVFWFLSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1F ZINC000150804457 937209277 /nfs/dbraw/zinc/20/92/77/937209277.db2.gz JYAOAMSCRVJPRC-QGZVFWFLSA-N 2 1 372.488 3.534 20 0 FHADMP CC(C)(C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000683205372 928086456 /nfs/dbraw/zinc/08/64/56/928086456.db2.gz POMTYGIYPREHIR-QFIPXVFZSA-N 2 1 352.522 3.845 20 0 FHADMP CC(C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000683205372 928086481 /nfs/dbraw/zinc/08/64/81/928086481.db2.gz POMTYGIYPREHIR-QFIPXVFZSA-N 2 1 352.522 3.845 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154543207 928917470 /nfs/dbraw/zinc/91/74/70/928917470.db2.gz DTQILGJDOYZYSI-INIZCTEOSA-N 2 1 373.463 3.654 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442489 929165748 /nfs/dbraw/zinc/16/57/48/929165748.db2.gz RDHPSMOANRFAGR-SIKLNZKXSA-N 2 1 355.526 3.779 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000180644132 929609091 /nfs/dbraw/zinc/60/90/91/929609091.db2.gz FSUWHPBCIIDIFZ-JTHBVZDNSA-N 2 1 350.506 3.811 20 0 FHADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583321999 937349254 /nfs/dbraw/zinc/34/92/54/937349254.db2.gz OSVQMZJZBDKWOS-HUUCEWRRSA-N 2 1 374.326 3.819 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752244 937350323 /nfs/dbraw/zinc/35/03/23/937350323.db2.gz OCDMLDMINZTRRE-XOVFHRFOSA-N 2 1 368.443 3.952 20 0 FHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657753082 937358698 /nfs/dbraw/zinc/35/86/98/937358698.db2.gz TWYFSUYUEBDCOJ-NZHZHZHDSA-N 2 1 366.452 3.534 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2Cc4ccccc4C2)C3)cc1 ZINC000683690410 929804543 /nfs/dbraw/zinc/80/45/43/929804543.db2.gz JWIDTRDSWPWNTD-JOZNFPNDSA-N 2 1 361.533 3.787 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000683722887 929923541 /nfs/dbraw/zinc/92/35/41/929923541.db2.gz LMSDAPLTPROWRU-WTNAPCKOSA-N 2 1 350.506 3.892 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000683722887 929923550 /nfs/dbraw/zinc/92/35/50/929923550.db2.gz LMSDAPLTPROWRU-WTNAPCKOSA-N 2 1 350.506 3.892 20 0 FHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000160387573 930280564 /nfs/dbraw/zinc/28/05/64/930280564.db2.gz GVIBGRFGAZUVMN-RHSMWYFYSA-N 2 1 366.937 3.552 20 0 FHADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000312735751 930367261 /nfs/dbraw/zinc/36/72/61/930367261.db2.gz WWPCZDUQWIPEEY-XMMPIXPASA-N 2 1 363.549 3.558 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314539 930486064 /nfs/dbraw/zinc/48/60/64/930486064.db2.gz YHEMYLBEWZVHLL-QFBILLFUSA-N 2 1 372.475 3.711 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485246 930645067 /nfs/dbraw/zinc/64/50/67/930645067.db2.gz QTKNEIDOVYDDCB-QGZVFWFLSA-N 2 1 354.494 3.754 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485246 930645071 /nfs/dbraw/zinc/64/50/71/930645071.db2.gz QTKNEIDOVYDDCB-QGZVFWFLSA-N 2 1 354.494 3.754 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000580454441 930692871 /nfs/dbraw/zinc/69/28/71/930692871.db2.gz KAVXKHRRVPVNDO-HXUWFJFHSA-N 2 1 352.563 3.549 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](OC2CCC2)C1)C1CC[NH+](C)CC1 ZINC000656272528 931025501 /nfs/dbraw/zinc/02/55/01/931025501.db2.gz WSMFAULCKWRNHF-QFIPXVFZSA-N 2 1 371.569 3.751 20 0 FHADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713677 931047113 /nfs/dbraw/zinc/04/71/13/931047113.db2.gz DNLUSAKTWTVFJQ-GOTSBHOMSA-N 2 1 364.533 3.624 20 0 FHADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713677 931047119 /nfs/dbraw/zinc/04/71/19/931047119.db2.gz DNLUSAKTWTVFJQ-GOTSBHOMSA-N 2 1 364.533 3.624 20 0 FHADMP CO[C@@H]1CCC[NH+](C[C@@H](C[N@@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567238 /nfs/dbraw/zinc/56/72/38/931567238.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 2 1 374.569 3.772 20 0 FHADMP CO[C@@H]1CCC[N@@H+](C[C@@H](C[NH+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567242 /nfs/dbraw/zinc/56/72/42/931567242.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 2 1 374.569 3.772 20 0 FHADMP CO[C@@H]1CCC[N@H+](C[C@@H](C[NH+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567248 /nfs/dbraw/zinc/56/72/48/931567248.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 2 1 374.569 3.772 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405642 931602095 /nfs/dbraw/zinc/60/20/95/931602095.db2.gz JZLCAIPOVXODAE-KCSJKLDESA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405642 931602101 /nfs/dbraw/zinc/60/21/01/931602101.db2.gz JZLCAIPOVXODAE-KCSJKLDESA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405642 931602103 /nfs/dbraw/zinc/60/21/03/931602103.db2.gz JZLCAIPOVXODAE-KCSJKLDESA-N 2 1 354.538 3.646 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581255464 931743209 /nfs/dbraw/zinc/74/32/09/931743209.db2.gz IOWMMLIQECQZOG-IAGOWNOFSA-N 2 1 365.587 3.504 20 0 FHADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157746 931749394 /nfs/dbraw/zinc/74/93/94/931749394.db2.gz SPHIIXRZLSAPHP-CEWLAPEOSA-N 2 1 356.510 3.727 20 0 FHADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1C[NH3+] ZINC000430559323 931844989 /nfs/dbraw/zinc/84/49/89/931844989.db2.gz WXLWPHKHXCWBMQ-LAUBAEHRSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1C[NH3+] ZINC000430559323 931844994 /nfs/dbraw/zinc/84/49/94/931844994.db2.gz WXLWPHKHXCWBMQ-LAUBAEHRSA-N 2 1 351.494 3.741 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000581336823 931852895 /nfs/dbraw/zinc/85/28/95/931852895.db2.gz HNKKQDCLOBGONQ-UDJZJCJKSA-N 2 1 372.459 3.567 20 0 FHADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000581362700 931897912 /nfs/dbraw/zinc/89/79/12/931897912.db2.gz BRCSEOMRTWUDOU-FCEWJHQRSA-N 2 1 354.922 3.507 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576137 931934656 /nfs/dbraw/zinc/93/46/56/931934656.db2.gz RQZVGGMOPUNIAJ-DSKINZAPSA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576137 931934658 /nfs/dbraw/zinc/93/46/58/931934658.db2.gz RQZVGGMOPUNIAJ-DSKINZAPSA-N 2 1 371.569 3.707 20 0 FHADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583046 931950510 /nfs/dbraw/zinc/95/05/10/931950510.db2.gz RIVFJVJADNTMHP-KNQAVFIVSA-N 2 1 359.558 3.611 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581458115 932091146 /nfs/dbraw/zinc/09/11/46/932091146.db2.gz BUFMTWWHFJHMHJ-TZIWHRDSSA-N 2 1 352.526 3.689 20 0 FHADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000317563839 932124020 /nfs/dbraw/zinc/12/40/20/932124020.db2.gz VNUYYKICLNHEIL-GJZGRUSLSA-N 2 1 360.299 3.714 20 0 FHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000581516070 932192734 /nfs/dbraw/zinc/19/27/34/932192734.db2.gz VBJVKAKDAUBZPI-UHFFFAOYSA-N 2 1 361.917 3.669 20 0 FHADMP C[C@@H](CC[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1)CC(C)(C)C ZINC001279507347 932310556 /nfs/dbraw/zinc/31/05/56/932310556.db2.gz WDLBNPRAAFEHIH-IBGZPJMESA-N 2 1 365.606 3.715 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783320 932410972 /nfs/dbraw/zinc/41/09/72/932410972.db2.gz PAYQBYMKHBCIIJ-NRFANRHFSA-N 2 1 365.521 3.969 20 0 FHADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784592 932419056 /nfs/dbraw/zinc/41/90/56/932419056.db2.gz FWHMEOIEGZTOHK-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000656784526 932419232 /nfs/dbraw/zinc/41/92/32/932419232.db2.gz DRKUHQXYRHLURB-OAHLLOKOSA-N 2 1 352.906 3.569 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000656784522 932419270 /nfs/dbraw/zinc/41/92/70/932419270.db2.gz DRKUHQXYRHLURB-HNNXBMFYSA-N 2 1 352.906 3.569 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(SC)cc1OC ZINC000656784410 932419280 /nfs/dbraw/zinc/41/92/80/932419280.db2.gz DBLUVYQKXIXQHQ-MRXNPFEDSA-N 2 1 364.555 3.637 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000656783858 932419748 /nfs/dbraw/zinc/41/97/48/932419748.db2.gz VLVAUYNMXLRWHP-LJQANCHMSA-N 2 1 352.526 3.607 20 0 FHADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000656792253 932425093 /nfs/dbraw/zinc/42/50/93/932425093.db2.gz SCQWVHDIAQIHFM-QFIPXVFZSA-N 2 1 353.485 3.692 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000656786914 932425881 /nfs/dbraw/zinc/42/58/81/932425881.db2.gz XPWIRWZUBCZDLA-MRXNPFEDSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647172622 932495778 /nfs/dbraw/zinc/49/57/78/932495778.db2.gz ASBZQULWOWLFSA-UHFFFAOYSA-N 2 1 374.229 3.735 20 0 FHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647177210 932599824 /nfs/dbraw/zinc/59/98/24/932599824.db2.gz QALLBZKIVUQMTR-LJQANCHMSA-N 2 1 363.496 3.503 20 0 FHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647177210 932599830 /nfs/dbraw/zinc/59/98/30/932599830.db2.gz QALLBZKIVUQMTR-LJQANCHMSA-N 2 1 363.496 3.503 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C1 ZINC000155769984 932614510 /nfs/dbraw/zinc/61/45/10/932614510.db2.gz RUKZWNCMLHNXFP-KRWDZBQOSA-N 2 1 365.512 3.738 20 0 FHADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000161029790 932643470 /nfs/dbraw/zinc/64/34/70/932643470.db2.gz SCLIVDCWEHQJLG-ULQDDVLXSA-N 2 1 365.949 3.700 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844105 932731753 /nfs/dbraw/zinc/73/17/53/932731753.db2.gz UURGNVIYDKLYKP-RXVVDRJESA-N 2 1 369.578 3.749 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844105 932731755 /nfs/dbraw/zinc/73/17/55/932731755.db2.gz UURGNVIYDKLYKP-RXVVDRJESA-N 2 1 369.578 3.749 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829931 933072896 /nfs/dbraw/zinc/07/28/96/933072896.db2.gz GVBXGGMBGORFHQ-MSOLQXFVSA-N 2 1 358.448 3.628 20 0 FHADMP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835800 933087913 /nfs/dbraw/zinc/08/79/13/933087913.db2.gz QKWHZQKRNFHUKH-RBBKRZOGSA-N 2 1 365.521 3.606 20 0 FHADMP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835800 933087914 /nfs/dbraw/zinc/08/79/14/933087914.db2.gz QKWHZQKRNFHUKH-RBBKRZOGSA-N 2 1 365.521 3.606 20 0 FHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000581941735 933090209 /nfs/dbraw/zinc/09/02/09/933090209.db2.gz BKVUDVBSMZTHPW-DFQSSKMNSA-N 2 1 359.558 3.522 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000581943310 933091181 /nfs/dbraw/zinc/09/11/81/933091181.db2.gz AGPSTUHCKASACY-SJORKVTESA-N 2 1 369.896 3.634 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000581943310 933091195 /nfs/dbraw/zinc/09/11/95/933091195.db2.gz AGPSTUHCKASACY-SJORKVTESA-N 2 1 369.896 3.634 20 0 FHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000510511905 933174914 /nfs/dbraw/zinc/17/49/14/933174914.db2.gz YNHQCJRTFLGFDK-HMFYCAOWSA-N 2 1 359.533 3.694 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCSCc3ccccc3)c2)CCO1 ZINC000430760941 933213280 /nfs/dbraw/zinc/21/32/80/933213280.db2.gz KAYRLEDFJLBFPF-IBGZPJMESA-N 2 1 370.562 3.930 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCSCc3ccccc3)c2)CCO1 ZINC000430760941 933213284 /nfs/dbraw/zinc/21/32/84/933213284.db2.gz KAYRLEDFJLBFPF-IBGZPJMESA-N 2 1 370.562 3.930 20 0 FHADMP Cn1nccc1[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000510646630 933343729 /nfs/dbraw/zinc/34/37/29/933343729.db2.gz RDHCEZRXKIGMQY-FQEVSTJZSA-N 2 1 354.542 3.758 20 0 FHADMP Cn1nccc1[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000510646630 933343740 /nfs/dbraw/zinc/34/37/40/933343740.db2.gz RDHCEZRXKIGMQY-FQEVSTJZSA-N 2 1 354.542 3.758 20 0 FHADMP Cn1nccc1[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000510646630 933343750 /nfs/dbraw/zinc/34/37/50/933343750.db2.gz RDHCEZRXKIGMQY-FQEVSTJZSA-N 2 1 354.542 3.758 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510674982 933398072 /nfs/dbraw/zinc/39/80/72/933398072.db2.gz LMGSLRXVWKAVTQ-YESZJQIVSA-N 2 1 354.485 3.765 20 0 FHADMP Cc1cc(OCCC[C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)ccc1Cl ZINC000510718976 933517629 /nfs/dbraw/zinc/51/76/29/933517629.db2.gz KCQOORSUBUYCPQ-QGZVFWFLSA-N 2 1 368.949 3.896 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952017 933561359 /nfs/dbraw/zinc/56/13/59/933561359.db2.gz UJZYTPJIBXAOCH-CZUORRHYSA-N 2 1 370.324 3.786 20 0 FHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000562986335 933603165 /nfs/dbraw/zinc/60/31/65/933603165.db2.gz AKQQYYGKARWYMU-QZTJIDSGSA-N 2 1 368.949 3.632 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)cc1 ZINC000510839814 933837117 /nfs/dbraw/zinc/83/71/17/933837117.db2.gz XXDJLNPECOUQTK-RBUKOAKNSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000510839814 933837122 /nfs/dbraw/zinc/83/71/22/933837122.db2.gz XXDJLNPECOUQTK-RBUKOAKNSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000510839814 933837125 /nfs/dbraw/zinc/83/71/25/933837125.db2.gz XXDJLNPECOUQTK-RBUKOAKNSA-N 2 1 359.558 3.911 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000510868278 933903208 /nfs/dbraw/zinc/90/32/08/933903208.db2.gz KPNZMXORPLEFAN-KDURUIRLSA-N 2 1 371.569 3.769 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000510868278 933903210 /nfs/dbraw/zinc/90/32/10/933903210.db2.gz KPNZMXORPLEFAN-KDURUIRLSA-N 2 1 371.569 3.769 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000510868278 933903215 /nfs/dbraw/zinc/90/32/15/933903215.db2.gz KPNZMXORPLEFAN-KDURUIRLSA-N 2 1 371.569 3.769 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485073 934136843 /nfs/dbraw/zinc/13/68/43/934136843.db2.gz RZKUXOKKDVZZHY-CVEARBPZSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485073 934136846 /nfs/dbraw/zinc/13/68/46/934136846.db2.gz RZKUXOKKDVZZHY-CVEARBPZSA-N 2 1 353.913 3.640 20 0 FHADMP C[C@@H](Cn1cccn1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937558 934187075 /nfs/dbraw/zinc/18/70/75/934187075.db2.gz ZBGZBPBWMDQYPZ-AJSBUHFISA-N 2 1 360.505 3.529 20 0 FHADMP C[C@@H](Cn1cccn1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937558 934187079 /nfs/dbraw/zinc/18/70/79/934187079.db2.gz ZBGZBPBWMDQYPZ-AJSBUHFISA-N 2 1 360.505 3.529 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960859 934227955 /nfs/dbraw/zinc/22/79/55/934227955.db2.gz KSCCOCAEHPGKLK-RDTXWAMCSA-N 2 1 367.331 3.527 20 0 FHADMP CCOC(=O)CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535682679 934274269 /nfs/dbraw/zinc/27/42/69/934274269.db2.gz ZXSCKMFJTYZREC-UHFFFAOYSA-N 2 1 358.526 3.708 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(I)cc1 ZINC000610797508 934286512 /nfs/dbraw/zinc/28/65/12/934286512.db2.gz LMIISYHHDIUUSP-INIZCTEOSA-N 2 1 372.294 3.816 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458204368 934374786 /nfs/dbraw/zinc/37/47/86/934374786.db2.gz XCGDUMNCSKOMBE-NRFANRHFSA-N 2 1 369.509 3.567 20 0 FHADMP O=C(c1cc2c[nH]ccc-2n1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000934011048 934424054 /nfs/dbraw/zinc/42/40/54/934424054.db2.gz IRPKIWXAEGXLDX-QHCPKHFHSA-N 2 1 374.488 3.691 20 0 FHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000537959151 934846504 /nfs/dbraw/zinc/84/65/04/934846504.db2.gz WVHLNKSVPSCCHM-FSSWDIPSSA-N 2 1 372.553 3.991 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014774 934891726 /nfs/dbraw/zinc/89/17/26/934891726.db2.gz XSDNKAMALUJUOV-PMACEKPBSA-N 2 1 371.569 3.655 20 0 FHADMP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)n1 ZINC000653178399 934971116 /nfs/dbraw/zinc/97/11/16/934971116.db2.gz RDSUMZDSHFSZEA-IEBWSBKVSA-N 2 1 352.482 3.964 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657311692 935105735 /nfs/dbraw/zinc/10/57/35/935105735.db2.gz ROKUJAVVAVOBJE-GOSISDBHSA-N 2 1 352.526 3.815 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657311692 935105739 /nfs/dbraw/zinc/10/57/39/935105739.db2.gz ROKUJAVVAVOBJE-GOSISDBHSA-N 2 1 352.526 3.815 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000375662006 935132257 /nfs/dbraw/zinc/13/22/57/935132257.db2.gz WYJDZGIWDTULQS-SJLPKXTDSA-N 2 1 364.415 3.608 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000375662006 935132267 /nfs/dbraw/zinc/13/22/67/935132267.db2.gz WYJDZGIWDTULQS-SJLPKXTDSA-N 2 1 364.415 3.608 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824965 945080874 /nfs/dbraw/zinc/08/08/74/945080874.db2.gz ACDIUJXCTIGTPI-HXOBKFHXSA-N 2 1 366.505 3.780 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1)C1CC1 ZINC000511063862 935200196 /nfs/dbraw/zinc/20/01/96/935200196.db2.gz LWTFTKDBVQRXBD-IBGZPJMESA-N 2 1 371.550 3.765 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1NC(C)=O ZINC000157940299 935236417 /nfs/dbraw/zinc/23/64/17/935236417.db2.gz ZIIAPLSRTJGFDQ-IRXDYDNUSA-N 2 1 361.530 3.816 20 0 FHADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554332 935389789 /nfs/dbraw/zinc/38/97/89/935389789.db2.gz NVBZDUAEWFQHSM-XZOQPEGZSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554332 935389795 /nfs/dbraw/zinc/38/97/95/935389795.db2.gz NVBZDUAEWFQHSM-XZOQPEGZSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554332 935389801 /nfs/dbraw/zinc/38/98/01/935389801.db2.gz NVBZDUAEWFQHSM-XZOQPEGZSA-N 2 1 356.554 3.916 20 0 FHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)OC(C)(C)C ZINC000161187404 935415291 /nfs/dbraw/zinc/41/52/91/935415291.db2.gz NLAHVDHSWHGWMS-INIZCTEOSA-N 2 1 361.530 3.607 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000582241526 935448599 /nfs/dbraw/zinc/44/85/99/935448599.db2.gz WOTIOGFJMWJXBP-SJLPKXTDSA-N 2 1 370.541 3.873 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000582241527 935448825 /nfs/dbraw/zinc/44/88/25/935448825.db2.gz WOTIOGFJMWJXBP-WMZOPIPTSA-N 2 1 370.541 3.873 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374424 935455828 /nfs/dbraw/zinc/45/58/28/935455828.db2.gz KOSRHNDYXLRTMB-WBMJQRKESA-N 2 1 372.460 3.673 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374424 935455831 /nfs/dbraw/zinc/45/58/31/935455831.db2.gz KOSRHNDYXLRTMB-WBMJQRKESA-N 2 1 372.460 3.673 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548716358 935463326 /nfs/dbraw/zinc/46/33/26/935463326.db2.gz FBMDJFMMOPYCAT-KDURUIRLSA-N 2 1 351.579 3.515 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548716358 935463327 /nfs/dbraw/zinc/46/33/27/935463327.db2.gz FBMDJFMMOPYCAT-KDURUIRLSA-N 2 1 351.579 3.515 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548716358 935463330 /nfs/dbraw/zinc/46/33/30/935463330.db2.gz FBMDJFMMOPYCAT-KDURUIRLSA-N 2 1 351.579 3.515 20 0 FHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582309867 935510179 /nfs/dbraw/zinc/51/01/79/935510179.db2.gz RMCVOPDZWVCDPF-IBGZPJMESA-N 2 1 359.901 3.951 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)Cc2ccccc2)cc1)C(C)C ZINC000110146463 935565409 /nfs/dbraw/zinc/56/54/09/935565409.db2.gz MUZDOUJWKPPSDU-UHFFFAOYSA-N 2 1 367.537 3.779 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000110146463 935565412 /nfs/dbraw/zinc/56/54/12/935565412.db2.gz MUZDOUJWKPPSDU-UHFFFAOYSA-N 2 1 367.537 3.779 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1)C(C)C ZINC000110146463 935565415 /nfs/dbraw/zinc/56/54/15/935565415.db2.gz MUZDOUJWKPPSDU-UHFFFAOYSA-N 2 1 367.537 3.779 20 0 FHADMP CC(C)Sc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000511129069 935727488 /nfs/dbraw/zinc/72/74/88/935727488.db2.gz DBYQIZTVAMJSNA-KRWDZBQOSA-N 2 1 350.572 3.712 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000516679229 945125267 /nfs/dbraw/zinc/12/52/67/945125267.db2.gz LRVOHXISRZMYGI-UWJYYQICSA-N 2 1 355.526 3.536 20 0 FHADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000159325216 935831907 /nfs/dbraw/zinc/83/19/07/935831907.db2.gz PZHLGRDWADWDOD-UHFFFAOYSA-N 2 1 353.913 3.517 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000413505577 935862916 /nfs/dbraw/zinc/86/29/16/935862916.db2.gz VBCQAQBQMYXMHY-RXVVDRJESA-N 2 1 357.542 3.617 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4cccnc43)CC2)oc1C ZINC000684955460 935897952 /nfs/dbraw/zinc/89/79/52/935897952.db2.gz MTWYCBAZKHDSFA-IBGZPJMESA-N 2 1 354.498 3.566 20 0 FHADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000582648417 935906552 /nfs/dbraw/zinc/90/65/52/935906552.db2.gz RQPSVNWKLUMSCQ-NQIIRXRSSA-N 2 1 368.521 3.889 20 0 FHADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000582648417 935906555 /nfs/dbraw/zinc/90/65/55/935906555.db2.gz RQPSVNWKLUMSCQ-NQIIRXRSSA-N 2 1 368.521 3.889 20 0 FHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000125764318 935942252 /nfs/dbraw/zinc/94/22/52/935942252.db2.gz HQNASJXDBFAFHU-UHFFFAOYSA-N 2 1 365.399 3.555 20 0 FHADMP CCOC(=O)CC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000507317767 945136806 /nfs/dbraw/zinc/13/68/06/945136806.db2.gz KMNMSDVWQXUBHW-UHFFFAOYSA-N 2 1 360.542 3.810 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cc2)C1 ZINC000657597532 936072752 /nfs/dbraw/zinc/07/27/52/936072752.db2.gz UHVRJEAVNAAAAG-HNNXBMFYSA-N 2 1 371.333 3.911 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cc2)C1 ZINC000657597532 936072757 /nfs/dbraw/zinc/07/27/57/936072757.db2.gz UHVRJEAVNAAAAG-HNNXBMFYSA-N 2 1 371.333 3.911 20 0 FHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596231 936076098 /nfs/dbraw/zinc/07/60/98/936076098.db2.gz MPWLQCDJIDHQBM-IERDGZPVSA-N 2 1 358.913 3.627 20 0 FHADMP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596099 936076738 /nfs/dbraw/zinc/07/67/38/936076738.db2.gz UTHICUBYIPZIIM-JOCHJYFZSA-N 2 1 352.522 3.841 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CSC2 ZINC000657641681 936136822 /nfs/dbraw/zinc/13/68/22/936136822.db2.gz JNCYUNINDBCWDL-HLLBOEOZSA-N 2 1 367.356 3.953 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CSC2 ZINC000657641681 936136824 /nfs/dbraw/zinc/13/68/24/936136824.db2.gz JNCYUNINDBCWDL-HLLBOEOZSA-N 2 1 367.356 3.953 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000414961240 945147709 /nfs/dbraw/zinc/14/77/09/945147709.db2.gz YQTLAKGENJOSOU-HNAYVOBHSA-N 2 1 358.457 3.643 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237671615 936198047 /nfs/dbraw/zinc/19/80/47/936198047.db2.gz CIAWYZURMDEAKY-PGRDOPGGSA-N 2 1 365.521 3.625 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000611728278 936222934 /nfs/dbraw/zinc/22/29/34/936222934.db2.gz JXJYIRHDBMZFPI-LJQANCHMSA-N 2 1 374.573 3.592 20 0 FHADMP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657678468 936231418 /nfs/dbraw/zinc/23/14/18/936231418.db2.gz QYOVTTQYTWTVCI-QFIPXVFZSA-N 2 1 355.570 3.690 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000472289721 938270538 /nfs/dbraw/zinc/27/05/38/938270538.db2.gz DHKZKFRBUSUQJB-LJQANCHMSA-N 2 1 357.498 3.583 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000472289721 938270540 /nfs/dbraw/zinc/27/05/40/938270540.db2.gz DHKZKFRBUSUQJB-LJQANCHMSA-N 2 1 357.498 3.583 20 0 FHADMP C[C@@H]1CCC[C@](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)([NH+](C)C)C1 ZINC000600965021 938277278 /nfs/dbraw/zinc/27/72/78/938277278.db2.gz DEPULOXAWMXRCM-ZTNFWEORSA-N 2 1 365.949 3.569 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705820 938282946 /nfs/dbraw/zinc/28/29/46/938282946.db2.gz XHNTTWWZRHSXHT-ZHALLVOQSA-N 2 1 357.523 3.528 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C2)C1 ZINC000650706164 938285309 /nfs/dbraw/zinc/28/53/09/938285309.db2.gz FNWHBSUUBGLSDM-SRCQZFHVSA-N 2 1 360.395 3.563 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709234 938290527 /nfs/dbraw/zinc/29/05/27/938290527.db2.gz LJPURPNJPFSZNB-RXVVDRJESA-N 2 1 372.944 3.762 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722391 938309617 /nfs/dbraw/zinc/30/96/17/938309617.db2.gz RTRRKPWWEPEERZ-DJIMGWMZSA-N 2 1 373.324 3.863 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722391 938309618 /nfs/dbraw/zinc/30/96/18/938309618.db2.gz RTRRKPWWEPEERZ-DJIMGWMZSA-N 2 1 373.324 3.863 20 0 FHADMP Cn1cnc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)ccc21 ZINC000657771809 938309810 /nfs/dbraw/zinc/30/98/10/938309810.db2.gz GNFAJBVCSJNEBS-NRFANRHFSA-N 2 1 374.532 3.965 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000650723177 938310222 /nfs/dbraw/zinc/31/02/22/938310222.db2.gz IKUWPFALWOJWHE-FCEUIQTBSA-N 2 1 369.484 3.749 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723251 938310412 /nfs/dbraw/zinc/31/04/12/938310412.db2.gz KIHNCRXRNMPLSM-DJIMGWMZSA-N 2 1 363.552 3.732 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@H+]1C1CC1 ZINC000657774502 938314094 /nfs/dbraw/zinc/31/40/94/938314094.db2.gz ZHPZQBATJJWEDP-HLAWJBBLSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774502 938314095 /nfs/dbraw/zinc/31/40/95/938314095.db2.gz ZHPZQBATJJWEDP-HLAWJBBLSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774502 938314097 /nfs/dbraw/zinc/31/40/97/938314097.db2.gz ZHPZQBATJJWEDP-HLAWJBBLSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774502 938314099 /nfs/dbraw/zinc/31/40/99/938314099.db2.gz ZHPZQBATJJWEDP-HLAWJBBLSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774502 938314101 /nfs/dbraw/zinc/31/41/01/938314101.db2.gz ZHPZQBATJJWEDP-HLAWJBBLSA-N 2 1 353.554 3.504 20 0 FHADMP COCc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000657773867 938318974 /nfs/dbraw/zinc/31/89/74/938318974.db2.gz UZQCQTBNWNDKBK-IBGZPJMESA-N 2 1 354.494 3.818 20 0 FHADMP COCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000657773867 938318977 /nfs/dbraw/zinc/31/89/77/938318977.db2.gz UZQCQTBNWNDKBK-IBGZPJMESA-N 2 1 354.494 3.818 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)C1 ZINC000151096535 938351530 /nfs/dbraw/zinc/35/15/30/938351530.db2.gz IKKRTGNZBJCBMX-ROUUACIJSA-N 2 1 360.546 3.943 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000246371935 938360755 /nfs/dbraw/zinc/36/07/55/938360755.db2.gz OCJUIOKLHPWDCR-XMSQKQJNSA-N 2 1 365.521 3.625 20 0 FHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000246489640 938368805 /nfs/dbraw/zinc/36/88/05/938368805.db2.gz PEIFINADZCPJLF-AABGKKOBSA-N 2 1 371.569 3.703 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CC[N@@H+]1C ZINC000161877318 938402584 /nfs/dbraw/zinc/40/25/84/938402584.db2.gz MCMXBINKSQXFAZ-NJAFHUGGSA-N 2 1 353.551 3.532 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CC[N@H+]1C ZINC000161877318 938402586 /nfs/dbraw/zinc/40/25/86/938402586.db2.gz MCMXBINKSQXFAZ-NJAFHUGGSA-N 2 1 353.551 3.532 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCN3Cc3ccccc3)CC2)cc1 ZINC000657806162 938480645 /nfs/dbraw/zinc/48/06/45/938480645.db2.gz HRDDMOXCQMWZBB-XMMPIXPASA-N 2 1 363.549 3.558 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000132664227 938534769 /nfs/dbraw/zinc/53/47/69/938534769.db2.gz QHPLEQLZDFECCP-OAHLLOKOSA-N 2 1 359.901 3.543 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000657815917 938535874 /nfs/dbraw/zinc/53/58/74/938535874.db2.gz RTVRWQHNLPGFPY-UHFFFAOYSA-N 3 1 373.560 3.544 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151392763 938538797 /nfs/dbraw/zinc/53/87/97/938538797.db2.gz FYAHCVKGJVWFDI-TZIWHRDSSA-N 2 1 362.583 3.789 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc2cnccc2o1 ZINC000657824817 938585514 /nfs/dbraw/zinc/58/55/14/938585514.db2.gz VUHYQFFCFUUZLT-MRXNPFEDSA-N 2 1 351.450 3.511 20 0 FHADMP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000647322432 938600082 /nfs/dbraw/zinc/60/00/82/938600082.db2.gz VXFZTVNPCDPOGV-DNVJHFABSA-N 2 1 350.506 3.712 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000657838614 938676316 /nfs/dbraw/zinc/67/63/16/938676316.db2.gz WQALRCPGQMTVIO-XXBNENTESA-N 2 1 374.569 3.982 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000584380943 938782261 /nfs/dbraw/zinc/78/22/61/938782261.db2.gz ZNWMXGCSDHDAGR-VLCRHTCISA-N 2 1 350.506 3.799 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000584380943 938782262 /nfs/dbraw/zinc/78/22/62/938782262.db2.gz ZNWMXGCSDHDAGR-VLCRHTCISA-N 2 1 350.506 3.799 20 0 FHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853082 938805890 /nfs/dbraw/zinc/80/58/90/938805890.db2.gz ZBQYHJULBCUDSH-IAGOWNOFSA-N 2 1 365.477 3.899 20 0 FHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853082 938805892 /nfs/dbraw/zinc/80/58/92/938805892.db2.gz ZBQYHJULBCUDSH-IAGOWNOFSA-N 2 1 365.477 3.899 20 0 FHADMP C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985560 945207501 /nfs/dbraw/zinc/20/75/01/945207501.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 1 371.544 3.737 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985560 945207506 /nfs/dbraw/zinc/20/75/06/945207506.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 1 371.544 3.737 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985560 945207514 /nfs/dbraw/zinc/20/75/14/945207514.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 1 371.544 3.737 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985560 945207517 /nfs/dbraw/zinc/20/75/17/945207517.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 1 371.544 3.737 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985560 945207518 /nfs/dbraw/zinc/20/75/18/945207518.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 1 371.544 3.737 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000089623118 938861384 /nfs/dbraw/zinc/86/13/84/938861384.db2.gz ZSMZMHHJPGJMSJ-LJQANCHMSA-N 2 1 352.522 3.923 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000089641524 938861835 /nfs/dbraw/zinc/86/18/35/938861835.db2.gz XMNQNCKAXXCUCR-PKOBYXMFSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000089641524 938861838 /nfs/dbraw/zinc/86/18/38/938861838.db2.gz XMNQNCKAXXCUCR-PKOBYXMFSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Sc1ccc(Br)cc1 ZINC000089582479 938866057 /nfs/dbraw/zinc/86/60/57/938866057.db2.gz JFEVYQXEYPTOHY-IOASZLSFSA-N 2 1 357.361 3.860 20 0 FHADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090217723 938872488 /nfs/dbraw/zinc/87/24/88/938872488.db2.gz UALYEDAXTYJEFY-KNQAVFIVSA-N 2 1 362.533 3.873 20 0 FHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000090943714 938879397 /nfs/dbraw/zinc/87/93/97/938879397.db2.gz ZZAGTQHLJJJHOQ-YGRLFVJLSA-N 2 1 365.237 3.898 20 0 FHADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090806988 938882714 /nfs/dbraw/zinc/88/27/14/938882714.db2.gz OEVIIVTXOGBTEJ-DENIHFKCSA-N 2 1 368.521 3.855 20 0 FHADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090806988 938882717 /nfs/dbraw/zinc/88/27/17/938882717.db2.gz OEVIIVTXOGBTEJ-DENIHFKCSA-N 2 1 368.521 3.855 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091333615 938900261 /nfs/dbraw/zinc/90/02/61/938900261.db2.gz DTIDRSJKFXKRJK-LJQANCHMSA-N 2 1 369.475 3.774 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccc(Br)cc1)C(C)C ZINC000657863464 938901460 /nfs/dbraw/zinc/90/14/60/938901460.db2.gz JEXZPHIECNRGGZ-KRWDZBQOSA-N 2 1 350.304 3.811 20 0 FHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770090 938930219 /nfs/dbraw/zinc/93/02/19/938930219.db2.gz SZOOCVAMGGRWPU-MRXNPFEDSA-N 2 1 366.431 3.665 20 0 FHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770090 938930221 /nfs/dbraw/zinc/93/02/21/938930221.db2.gz SZOOCVAMGGRWPU-MRXNPFEDSA-N 2 1 366.431 3.665 20 0 FHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770090 938930222 /nfs/dbraw/zinc/93/02/22/938930222.db2.gz SZOOCVAMGGRWPU-MRXNPFEDSA-N 2 1 366.431 3.665 20 0 FHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000093844445 938930705 /nfs/dbraw/zinc/93/07/05/938930705.db2.gz KWZRAZLQCRDFCN-IYBDPMFKSA-N 2 1 363.571 3.732 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000657887864 938981926 /nfs/dbraw/zinc/98/19/26/938981926.db2.gz MUGJSXJTONDETP-PGRDOPGGSA-N 2 1 360.542 3.633 20 0 FHADMP c1cncc([C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000685451770 938987479 /nfs/dbraw/zinc/98/74/79/938987479.db2.gz AOZCJOZVYNIQSA-JOCHJYFZSA-N 2 1 351.494 3.893 20 0 FHADMP C[N@H+](Cc1ccccc1OC1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457686 938987931 /nfs/dbraw/zinc/98/79/31/938987931.db2.gz JMZAWCAVMDULTD-OAQYLSRUSA-N 2 1 371.569 3.608 20 0 FHADMP C[N@@H+](Cc1ccccc1OC1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457686 938987932 /nfs/dbraw/zinc/98/79/32/938987932.db2.gz JMZAWCAVMDULTD-OAQYLSRUSA-N 2 1 371.569 3.608 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572100 938991989 /nfs/dbraw/zinc/99/19/89/938991989.db2.gz CTKJLKDHBQNZQX-SJLPKXTDSA-N 2 1 368.912 3.845 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000657904936 938995540 /nfs/dbraw/zinc/99/55/40/938995540.db2.gz VVTXLGPIAICZDA-OXJNMPFZSA-N 2 1 357.498 3.663 20 0 FHADMP C[C@@H]1C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080230833 938999683 /nfs/dbraw/zinc/99/96/83/938999683.db2.gz NGHPUWNOBUVVTJ-IEBWSBKVSA-N 2 1 351.498 3.542 20 0 FHADMP C[C@@H]1C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080230833 938999684 /nfs/dbraw/zinc/99/96/84/938999684.db2.gz NGHPUWNOBUVVTJ-IEBWSBKVSA-N 2 1 351.498 3.542 20 0 FHADMP C[C@H]1C[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000080230841 938999746 /nfs/dbraw/zinc/99/97/46/938999746.db2.gz NGHPUWNOBUVVTJ-HKUYNNGSSA-N 2 1 351.498 3.542 20 0 FHADMP C[C@H]1C[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000080230841 938999747 /nfs/dbraw/zinc/99/97/47/938999747.db2.gz NGHPUWNOBUVVTJ-HKUYNNGSSA-N 2 1 351.498 3.542 20 0 FHADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657936170 939009317 /nfs/dbraw/zinc/00/93/17/939009317.db2.gz DTCAKDKUCXHAEG-SFHVURJKSA-N 2 1 351.332 3.868 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1)C1CC1 ZINC000511319305 939013290 /nfs/dbraw/zinc/01/32/90/939013290.db2.gz DECHAAHVZOCYAT-UHFFFAOYSA-N 2 1 351.494 3.985 20 0 FHADMP Cc1ccccc1C1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658135042 939029809 /nfs/dbraw/zinc/02/98/09/939029809.db2.gz CVSPWYSPBRIZAQ-HRTMPFAESA-N 2 1 350.506 3.597 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136420 939030125 /nfs/dbraw/zinc/03/01/25/939030125.db2.gz IIIIOQKLBXFGOG-SBUREZEXSA-N 2 1 350.506 3.981 20 0 FHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658141472 939034981 /nfs/dbraw/zinc/03/49/81/939034981.db2.gz XDNUBMYIIXJVSE-GMAHTHKFSA-N 2 1 350.506 3.729 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143176 939035958 /nfs/dbraw/zinc/03/59/58/939035958.db2.gz XHKHKROPPPOUCY-IRLDBZIGSA-N 2 1 354.494 3.503 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3c3ccc(F)cc3)cc2)C1 ZINC000658143485 939036773 /nfs/dbraw/zinc/03/67/73/939036773.db2.gz YVNCYRIJDKEAFD-XPWALMASSA-N 2 1 368.496 3.818 20 0 FHADMP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137449 939041263 /nfs/dbraw/zinc/04/12/63/939041263.db2.gz GVCVSBPXOFDJLN-VGSWGCGISA-N 2 1 356.485 3.503 20 0 FHADMP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138637 939041774 /nfs/dbraw/zinc/04/17/74/939041774.db2.gz OELANUVPGJKZSK-DYESRHJHSA-N 2 1 364.489 3.720 20 0 FHADMP Cc1cc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139632 939042939 /nfs/dbraw/zinc/04/29/39/939042939.db2.gz QPYAVTYRELLACB-GGAORHGYSA-N 2 1 368.496 3.942 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140787 939043459 /nfs/dbraw/zinc/04/34/59/939043459.db2.gz RCDAQSVDZNVAGB-DYVFJYSZSA-N 2 1 364.411 3.521 20 0 FHADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140518 939043859 /nfs/dbraw/zinc/04/38/59/939043859.db2.gz UUCRSDWIYYWESS-QAPCUYQASA-N 2 1 359.539 3.684 20 0 FHADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140518 939043864 /nfs/dbraw/zinc/04/38/64/939043864.db2.gz UUCRSDWIYYWESS-QAPCUYQASA-N 2 1 359.539 3.684 20 0 FHADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167751 939054854 /nfs/dbraw/zinc/05/48/54/939054854.db2.gz YUMUZRMHNCOAEY-ZEYPLWLESA-N 2 1 368.521 3.883 20 0 FHADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167751 939054857 /nfs/dbraw/zinc/05/48/57/939054857.db2.gz YUMUZRMHNCOAEY-ZEYPLWLESA-N 2 1 368.521 3.883 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307995 939097641 /nfs/dbraw/zinc/09/76/41/939097641.db2.gz NVDHXVXVWAIEOJ-FPOVZHCZSA-N 2 1 371.569 3.573 20 0 FHADMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000658352590 939123885 /nfs/dbraw/zinc/12/38/85/939123885.db2.gz GYUKQRMIYIEATC-HXUWFJFHSA-N 2 1 372.944 3.875 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356228 939125064 /nfs/dbraw/zinc/12/50/64/939125064.db2.gz NBCJPZPACJXFTF-CVDCTZTESA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356228 939125066 /nfs/dbraw/zinc/12/50/66/939125066.db2.gz NBCJPZPACJXFTF-CVDCTZTESA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](C)O)CC1 ZINC000658356744 939125510 /nfs/dbraw/zinc/12/55/10/939125510.db2.gz LUSWUWTZQSLDTM-SELNLUPBSA-N 2 1 352.522 3.794 20 0 FHADMP c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000507499284 945269292 /nfs/dbraw/zinc/26/92/92/945269292.db2.gz YIQPLLOXPVGEHP-FADBTOOJSA-N 2 1 364.537 3.867 20 0 FHADMP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000506035896 945273146 /nfs/dbraw/zinc/27/31/46/945273146.db2.gz TYONRFPPDAKVQB-UHFFFAOYSA-N 2 1 371.500 3.608 20 0 FHADMP CCc1cccnc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000507503540 945285483 /nfs/dbraw/zinc/28/54/83/945285483.db2.gz AFYSRLXOEQZOPW-KNQAVFIVSA-N 2 1 366.553 3.673 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000375887737 940021486 /nfs/dbraw/zinc/02/14/86/940021486.db2.gz FCROODXRLUKUKV-QHCPKHFHSA-N 2 1 365.565 3.873 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000375892648 940025419 /nfs/dbraw/zinc/02/54/19/940025419.db2.gz ZDWSAAGWIFOAJY-VWPQPMDRSA-N 2 1 351.494 3.590 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[N@H+]1C ZINC000152030099 940043524 /nfs/dbraw/zinc/04/35/24/940043524.db2.gz BSMQJNKPEKABPM-YJBOKZPZSA-N 2 1 370.459 3.826 20 0 FHADMP C[NH+](C)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000431653757 940044335 /nfs/dbraw/zinc/04/43/35/940044335.db2.gz MFOYQHQBMNQIJW-UXHICEINSA-N 2 1 373.928 3.752 20 0 FHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1Br ZINC000569994814 940079751 /nfs/dbraw/zinc/07/97/51/940079751.db2.gz OOGYRYKJZWJSBX-MUIFIZLQSA-N 2 1 367.331 3.679 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3C[C@H]3c3ccccc3)CC2)nc(C)[nH+]1 ZINC000584482220 940085093 /nfs/dbraw/zinc/08/50/93/940085093.db2.gz KYFXFFVLLOSVDM-CZAAIQMYSA-N 2 1 350.510 3.844 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000570076765 940128340 /nfs/dbraw/zinc/12/83/40/940128340.db2.gz HVXSQEKHZLGBKD-PSWRPDDJSA-N 2 1 360.542 3.633 20 0 FHADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497609 940380913 /nfs/dbraw/zinc/38/09/13/940380913.db2.gz NRWAIZBSWWHTCD-WMZOPIPTSA-N 2 1 366.431 3.509 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497609 940380914 /nfs/dbraw/zinc/38/09/14/940380914.db2.gz NRWAIZBSWWHTCD-WMZOPIPTSA-N 2 1 366.431 3.509 20 0 FHADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647498141 940390927 /nfs/dbraw/zinc/39/09/27/940390927.db2.gz BEIYERBKVNPPJO-VQTJNVASSA-N 2 1 354.494 3.833 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647498141 940390928 /nfs/dbraw/zinc/39/09/28/940390928.db2.gz BEIYERBKVNPPJO-VQTJNVASSA-N 2 1 354.494 3.833 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000376164784 940398047 /nfs/dbraw/zinc/39/80/47/940398047.db2.gz WTZLAVBFTYCEDU-AQKFKSFVSA-N 2 1 351.494 3.989 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548979059 940412061 /nfs/dbraw/zinc/41/20/61/940412061.db2.gz SBLIIEDXDHLXFN-BGYRXZFFSA-N 2 1 371.569 3.770 20 0 FHADMP CCO[C@@H](C)c1nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000376177589 940424269 /nfs/dbraw/zinc/42/42/69/940424269.db2.gz JDMUCBFRIBKBKV-INIZCTEOSA-N 2 1 374.554 3.984 20 0 FHADMP CCO[C@@H](C)c1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000376177589 940424270 /nfs/dbraw/zinc/42/42/70/940424270.db2.gz JDMUCBFRIBKBKV-INIZCTEOSA-N 2 1 374.554 3.984 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000431734565 940438570 /nfs/dbraw/zinc/43/85/70/940438570.db2.gz WSRUBZRXPHHOPP-DENIHFKCSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000431734565 940438573 /nfs/dbraw/zinc/43/85/73/940438573.db2.gz WSRUBZRXPHHOPP-DENIHFKCSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000431734565 940438574 /nfs/dbraw/zinc/43/85/74/940438574.db2.gz WSRUBZRXPHHOPP-DENIHFKCSA-N 2 1 371.569 3.942 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000685849511 940461183 /nfs/dbraw/zinc/46/11/83/940461183.db2.gz LIFNFEIQLMQXQC-NHCUHLMSSA-N 2 1 358.526 3.551 20 0 FHADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000685849372 940463813 /nfs/dbraw/zinc/46/38/13/940463813.db2.gz WLHSSBVWBVDPMI-FQEVSTJZSA-N 2 1 360.542 3.941 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057393 940465532 /nfs/dbraw/zinc/46/55/32/940465532.db2.gz FQZZSUDNEOFRLQ-QZTJIDSGSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057393 940465534 /nfs/dbraw/zinc/46/55/34/940465534.db2.gz FQZZSUDNEOFRLQ-QZTJIDSGSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(Br)s1 ZINC000425895514 945323348 /nfs/dbraw/zinc/32/33/48/945323348.db2.gz JOKDRIXRFHCQKV-JTQLQIEISA-N 2 1 370.316 3.816 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414077421 940483130 /nfs/dbraw/zinc/48/31/30/940483130.db2.gz YYQYOCNMWVURAJ-GOSISDBHSA-N 2 1 372.582 3.878 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082916 940486513 /nfs/dbraw/zinc/48/65/13/940486513.db2.gz FYVPQQPZKKLUDT-SJLPKXTDSA-N 2 1 359.539 3.698 20 0 FHADMP Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776927 940493373 /nfs/dbraw/zinc/49/33/73/940493373.db2.gz UZTRKBQNNDZHHB-SFTDATJTSA-N 2 1 357.542 3.513 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776925 940493500 /nfs/dbraw/zinc/49/35/00/940493500.db2.gz UZTRKBQNNDZHHB-NHCUHLMSSA-N 2 1 357.542 3.513 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000414097186 940502607 /nfs/dbraw/zinc/50/26/07/940502607.db2.gz IFCWDVRBSUWAJR-HZPDHXFCSA-N 2 1 350.466 3.866 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431801967 940606671 /nfs/dbraw/zinc/60/66/71/940606671.db2.gz QTLVGRAGJSEZTI-FCEUIQTBSA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801967 940606673 /nfs/dbraw/zinc/60/66/73/940606673.db2.gz QTLVGRAGJSEZTI-FCEUIQTBSA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801967 940606678 /nfs/dbraw/zinc/60/66/78/940606678.db2.gz QTLVGRAGJSEZTI-FCEUIQTBSA-N 2 1 371.569 3.762 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000414121955 940618065 /nfs/dbraw/zinc/61/80/65/940618065.db2.gz NPTLBGJIDRVHQZ-RIFZZMRRSA-N 2 1 359.539 3.755 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000414121955 940618067 /nfs/dbraw/zinc/61/80/67/940618067.db2.gz NPTLBGJIDRVHQZ-RIFZZMRRSA-N 2 1 359.539 3.755 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000414131476 940645093 /nfs/dbraw/zinc/64/50/93/940645093.db2.gz XZIRZQYSVNBKMB-AMZGXZFVSA-N 2 1 365.521 3.806 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414205710 940764877 /nfs/dbraw/zinc/76/48/77/940764877.db2.gz HVPXLRMTMIYGGP-BAGYTPMASA-N 2 1 352.526 3.683 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414205710 940764886 /nfs/dbraw/zinc/76/48/86/940764886.db2.gz HVPXLRMTMIYGGP-BAGYTPMASA-N 2 1 352.526 3.683 20 0 FHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000414257607 940846366 /nfs/dbraw/zinc/84/63/66/940846366.db2.gz FLKFEGUKZZRDPM-VLCRHTCISA-N 2 1 353.510 3.578 20 0 FHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000414257607 940846370 /nfs/dbraw/zinc/84/63/70/940846370.db2.gz FLKFEGUKZZRDPM-VLCRHTCISA-N 2 1 353.510 3.578 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000414296428 940912660 /nfs/dbraw/zinc/91/26/60/940912660.db2.gz RKNYGXKVHCECRL-DNVCBOLYSA-N 2 1 353.441 3.747 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544064 941066018 /nfs/dbraw/zinc/06/60/18/941066018.db2.gz VYOCZKCJTQPFEO-LSDHHAIUSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000414388414 941081287 /nfs/dbraw/zinc/08/12/87/941081287.db2.gz CBSJCYQNOJSMDW-MRXNPFEDSA-N 2 1 356.432 3.604 20 0 FHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C(F)(F)F ZINC000414403507 941103374 /nfs/dbraw/zinc/10/33/74/941103374.db2.gz GRQFURUFQBEHEI-KBAYOESNSA-N 2 1 356.432 3.697 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187779554 941125707 /nfs/dbraw/zinc/12/57/07/941125707.db2.gz KHKUCPSGKSUAAQ-HLIPFELVSA-N 2 1 358.505 3.986 20 0 FHADMP COc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180141446 941353086 /nfs/dbraw/zinc/35/30/86/941353086.db2.gz YGSGSXBTDGDBOV-ZYJGPIPZSA-N 2 1 366.505 3.514 20 0 FHADMP COc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000311916010 941422396 /nfs/dbraw/zinc/42/23/96/941422396.db2.gz IDLZNTLDXALHDD-JOCHJYFZSA-N 2 1 354.494 3.706 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000376832051 941443518 /nfs/dbraw/zinc/44/35/18/941443518.db2.gz UIBXLYKQUQFVQL-YLQAJVPDSA-N 2 1 353.388 3.941 20 0 FHADMP C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CCN1C1CC[NH+](C)CC1 ZINC000376863909 941454724 /nfs/dbraw/zinc/45/47/24/941454724.db2.gz IQCSNRGOUAVREN-INIZCTEOSA-N 2 1 367.990 3.532 20 0 FHADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000613644441 941538049 /nfs/dbraw/zinc/53/80/49/941538049.db2.gz KYFLFUMTIWRMEO-LJQANCHMSA-N 2 1 357.542 3.910 20 0 FHADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCCC[NH+]1C ZINC000472676749 941550949 /nfs/dbraw/zinc/55/09/49/941550949.db2.gz GDLMEMSSWLPTAU-FQEVSTJZSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCCC[N@@H+]1C ZINC000472676749 941550953 /nfs/dbraw/zinc/55/09/53/941550953.db2.gz GDLMEMSSWLPTAU-FQEVSTJZSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCCC[N@H+]1C ZINC000472676749 941550959 /nfs/dbraw/zinc/55/09/59/941550959.db2.gz GDLMEMSSWLPTAU-FQEVSTJZSA-N 2 1 358.505 3.955 20 0 FHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c2cc(N)ccc2O1 ZINC000415032913 941556805 /nfs/dbraw/zinc/55/68/05/941556805.db2.gz JJYHROQTYUPGLM-IHPCNDPISA-N 2 1 351.494 3.954 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415052218 941567448 /nfs/dbraw/zinc/56/74/48/941567448.db2.gz MUPONOOSRBZBIS-RBBKRZOGSA-N 2 1 351.494 3.625 20 0 FHADMP CO[C@]1(C)CCC[NH+](CCCCC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000377212724 941569108 /nfs/dbraw/zinc/56/91/08/941569108.db2.gz CUSQQRYBMUXLBM-NHCUHLMSSA-N 2 1 354.579 3.939 20 0 FHADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061030 941579565 /nfs/dbraw/zinc/57/95/65/941579565.db2.gz XRFALEPZKZUIAX-QQFBHYJXSA-N 2 1 370.368 3.730 20 0 FHADMP FC(F)(F)c1cc(Br)cc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415069265 941584907 /nfs/dbraw/zinc/58/49/07/941584907.db2.gz OPWVIFARFJUXJM-UHFFFAOYSA-N 2 1 351.210 3.700 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000549176990 941586872 /nfs/dbraw/zinc/58/68/72/941586872.db2.gz APUKICFBTXFMQX-FQEVSTJZSA-N 2 1 367.940 3.627 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000549176990 941586876 /nfs/dbraw/zinc/58/68/76/941586876.db2.gz APUKICFBTXFMQX-FQEVSTJZSA-N 2 1 367.940 3.627 20 0 FHADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415080456 941590998 /nfs/dbraw/zinc/59/09/98/941590998.db2.gz JKTKSZJPJROVQC-PCCBWWKXSA-N 2 1 367.493 3.893 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000415081205 941592061 /nfs/dbraw/zinc/59/20/61/941592061.db2.gz KKWGTIVLVIVGFM-RBDMOPTHSA-N 2 1 363.505 3.957 20 0 FHADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2)CC1 ZINC000415082205 941592537 /nfs/dbraw/zinc/59/25/37/941592537.db2.gz LOKUIZXWWSVLMJ-VXKWHMMOSA-N 2 1 364.537 3.901 20 0 FHADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000415089384 941597661 /nfs/dbraw/zinc/59/76/61/941597661.db2.gz WMHKYGUUERJFKY-ZWOKBUDYSA-N 2 1 357.448 3.626 20 0 FHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)ccc1OCc1ccncc1 ZINC000415095279 941598819 /nfs/dbraw/zinc/59/88/19/941598819.db2.gz ZIMUIUUSDQGTBU-APWZRJJASA-N 2 1 357.498 3.693 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC000415118861 941614432 /nfs/dbraw/zinc/61/44/32/941614432.db2.gz DPYVKSZKDWYBAZ-HIFRSBDPSA-N 2 1 361.288 3.851 20 0 FHADMP CC(C)Oc1ccccc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127004 941616357 /nfs/dbraw/zinc/61/63/57/941616357.db2.gz HOVSRKKLKMGYGW-UHFFFAOYSA-N 2 1 367.537 3.557 20 0 FHADMP c1cc(-c2ccccc2)sc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133784 941621500 /nfs/dbraw/zinc/62/15/00/941621500.db2.gz NPDHJWBKSOOZPC-MOPGFXCFSA-N 2 1 354.519 3.616 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729366740 941736642 /nfs/dbraw/zinc/73/66/42/941736642.db2.gz JXBJYXKMEFPZFL-UHFFFAOYSA-N 2 1 371.569 3.623 20 0 FHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000513216610 941786491 /nfs/dbraw/zinc/78/64/91/941786491.db2.gz FXUDTPAWMLHOEO-MRXNPFEDSA-N 2 1 350.576 3.602 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000513216610 941786493 /nfs/dbraw/zinc/78/64/93/941786493.db2.gz FXUDTPAWMLHOEO-MRXNPFEDSA-N 2 1 350.576 3.602 20 0 FHADMP C[C@@H](O)c1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000377540045 941796248 /nfs/dbraw/zinc/79/62/48/941796248.db2.gz HJUAOZJXQZLFQM-HZPDHXFCSA-N 2 1 351.560 3.673 20 0 FHADMP C[C@@H](O)c1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000377540045 941796251 /nfs/dbraw/zinc/79/62/51/941796251.db2.gz HJUAOZJXQZLFQM-HZPDHXFCSA-N 2 1 351.560 3.673 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)CC1 ZINC000093132649 941802952 /nfs/dbraw/zinc/80/29/52/941802952.db2.gz RESHXWCSTDJCHQ-IBGZPJMESA-N 2 1 373.541 3.766 20 0 FHADMP c1ccc(Oc2ccc3[nH+]ccc(N4CC[N@H+]5CCOC[C@@H]5C4)c3c2)cc1 ZINC000433769235 941875199 /nfs/dbraw/zinc/87/51/99/941875199.db2.gz RPBSUYWOBGIFDK-KRWDZBQOSA-N 2 1 361.445 3.548 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)[C@@H]1c1cccs1 ZINC000893019455 941894178 /nfs/dbraw/zinc/89/41/78/941894178.db2.gz KTPNCAVBXNFAOW-CLWVCHIJSA-N 2 1 357.361 3.894 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)[C@@H]1c1cccs1 ZINC000893019455 941894182 /nfs/dbraw/zinc/89/41/82/941894182.db2.gz KTPNCAVBXNFAOW-CLWVCHIJSA-N 2 1 357.361 3.894 20 0 FHADMP COCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513434813 941920191 /nfs/dbraw/zinc/92/01/91/941920191.db2.gz MNAZABYDXOMSAM-OAQYLSRUSA-N 2 1 360.542 3.800 20 0 FHADMP COCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513434813 941920198 /nfs/dbraw/zinc/92/01/98/941920198.db2.gz MNAZABYDXOMSAM-OAQYLSRUSA-N 2 1 360.542 3.800 20 0 FHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000513517667 941978071 /nfs/dbraw/zinc/97/80/71/941978071.db2.gz JIFKBWUGDJZNOR-ZIPUMODLSA-N 2 1 353.510 3.942 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3nccc4ccccc43)CC2)nc(C)[nH+]1 ZINC000377802844 942002679 /nfs/dbraw/zinc/00/26/79/942002679.db2.gz OKFVGDBRCYKFQI-INIZCTEOSA-N 2 1 361.493 3.961 20 0 FHADMP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1C ZINC000434007708 942037041 /nfs/dbraw/zinc/03/70/41/942037041.db2.gz WZVVFNASWHRYHX-PZJWPPBQSA-N 2 1 370.541 3.560 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000513661697 942070851 /nfs/dbraw/zinc/07/08/51/942070851.db2.gz VKFBBZHAUNMFOL-GHTZIAJQSA-N 2 1 371.569 3.911 20 0 FHADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513661849 942070894 /nfs/dbraw/zinc/07/08/94/942070894.db2.gz RERAOVSYPHUGDG-QHAWAJNXSA-N 2 1 371.569 3.572 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000415907669 942136037 /nfs/dbraw/zinc/13/60/37/942136037.db2.gz BSFCQJUQWRFMTE-ROUUACIJSA-N 2 1 358.530 3.524 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000280232978 942141218 /nfs/dbraw/zinc/14/12/18/942141218.db2.gz HLTJSRWUFOWJCY-KRWDZBQOSA-N 2 1 371.491 3.644 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415913101 942147163 /nfs/dbraw/zinc/14/71/63/942147163.db2.gz OVTFLFAFNQCJHI-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000415924195 942152178 /nfs/dbraw/zinc/15/21/78/942152178.db2.gz YAQZWEXAFCSRHC-UHFFFAOYSA-N 2 1 366.509 3.534 20 0 FHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000280344718 942164058 /nfs/dbraw/zinc/16/40/58/942164058.db2.gz RQZBEMJZSHXDEO-QFIPXVFZSA-N 2 1 351.494 3.545 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000415959207 942191367 /nfs/dbraw/zinc/19/13/67/942191367.db2.gz SJNVJEINQLKXJG-KRWDZBQOSA-N 2 1 360.546 3.818 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000415953340 942193532 /nfs/dbraw/zinc/19/35/32/942193532.db2.gz LEGMTJWOGNRHKK-MOPGFXCFSA-N 2 1 372.557 3.914 20 0 FHADMP C[N@@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000415955220 942196256 /nfs/dbraw/zinc/19/62/56/942196256.db2.gz PKVJZJAICJKTIF-UHFFFAOYSA-N 2 1 372.435 3.550 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000590320980 942210669 /nfs/dbraw/zinc/21/06/69/942210669.db2.gz SWEVVBBSIMPIDS-SFHVURJKSA-N 2 1 359.558 3.696 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1)CC1CC1 ZINC000415979581 942223107 /nfs/dbraw/zinc/22/31/07/942223107.db2.gz DNWWENRYZXBJRZ-UHFFFAOYSA-N 2 1 372.557 3.772 20 0 FHADMP CCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420900912 942245188 /nfs/dbraw/zinc/24/51/88/942245188.db2.gz JWCPUHNRTWCNRP-UHFFFAOYSA-N 2 1 354.494 3.550 20 0 FHADMP CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420900912 942245193 /nfs/dbraw/zinc/24/51/93/942245193.db2.gz JWCPUHNRTWCNRP-UHFFFAOYSA-N 2 1 354.494 3.550 20 0 FHADMP C[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(CN2CCOCC2)c1 ZINC000420906866 942248091 /nfs/dbraw/zinc/24/80/91/942248091.db2.gz UKVGGSIXTKYHLT-UHFFFAOYSA-N 2 1 350.915 3.866 20 0 FHADMP CN(Cc1ccc(Cl)s1)Cc1cccc(CN2CCOCC2)c1 ZINC000420906866 942248097 /nfs/dbraw/zinc/24/80/97/942248097.db2.gz UKVGGSIXTKYHLT-UHFFFAOYSA-N 2 1 350.915 3.866 20 0 FHADMP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420912997 942250727 /nfs/dbraw/zinc/25/07/27/942250727.db2.gz AMECGJXOVXONGY-KRWDZBQOSA-N 2 1 356.432 3.682 20 0 FHADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420912997 942250732 /nfs/dbraw/zinc/25/07/32/942250732.db2.gz AMECGJXOVXONGY-KRWDZBQOSA-N 2 1 356.432 3.682 20 0 FHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416009722 942259501 /nfs/dbraw/zinc/25/95/01/942259501.db2.gz NRVSDVLAEBOZCQ-OAQYLSRUSA-N 2 1 366.509 3.568 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](OC(C)C)c3ccccc3)CC2)CC1 ZINC000420980487 942280453 /nfs/dbraw/zinc/28/04/53/942280453.db2.gz LTDWSPHIIGYAFM-HSZRJFAPSA-N 2 1 373.585 3.645 20 0 FHADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986431 942282660 /nfs/dbraw/zinc/28/26/60/942282660.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 2 1 365.512 3.908 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000420975412 942286481 /nfs/dbraw/zinc/28/64/81/942286481.db2.gz FXYZZLZRAAITAP-JOCHJYFZSA-N 2 1 359.533 3.695 20 0 FHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccsc1 ZINC000420998519 942296290 /nfs/dbraw/zinc/29/62/90/942296290.db2.gz BBWATKROOWLLDL-INIZCTEOSA-N 2 1 351.560 3.509 20 0 FHADMP COc1cccc(CCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501083897 942301379 /nfs/dbraw/zinc/30/13/79/942301379.db2.gz VTKCJKQVJOJLRQ-UHFFFAOYSA-N 2 1 353.510 3.871 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000501217018 942355495 /nfs/dbraw/zinc/35/54/95/942355495.db2.gz JOGUULARKQAROZ-UHFFFAOYSA-N 2 1 356.539 3.949 20 0 FHADMP Cc1cc(C(F)(F)F)cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH+]1 ZINC000664238101 942368886 /nfs/dbraw/zinc/36/88/86/942368886.db2.gz VYPPTJLNSLRBLZ-QGZVFWFLSA-N 2 1 365.399 3.588 20 0 FHADMP Cc1cc(C(F)(F)F)cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH+]1 ZINC000664238101 942368892 /nfs/dbraw/zinc/36/88/92/942368892.db2.gz VYPPTJLNSLRBLZ-QGZVFWFLSA-N 2 1 365.399 3.588 20 0 FHADMP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000430039422 942478675 /nfs/dbraw/zinc/47/86/75/942478675.db2.gz ZVCYWZYVRLJWQO-UHFFFAOYSA-N 2 1 368.525 3.625 20 0 FHADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OCC(F)(F)F ZINC000414833372 942495337 /nfs/dbraw/zinc/49/53/37/942495337.db2.gz AOFOWZXWUPSSFS-UHFFFAOYSA-N 2 1 360.420 3.778 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364294 942516106 /nfs/dbraw/zinc/51/61/06/942516106.db2.gz OCCRLRMHUXPVCA-GOTSBHOMSA-N 2 1 350.506 3.537 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364294 942516112 /nfs/dbraw/zinc/51/61/12/942516112.db2.gz OCCRLRMHUXPVCA-GOTSBHOMSA-N 2 1 350.506 3.537 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000421367005 942519105 /nfs/dbraw/zinc/51/91/05/942519105.db2.gz ASUBPNSHLWXNFR-SFHVURJKSA-N 2 1 362.558 3.956 20 0 FHADMP Brc1cccc2c1OCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000501531649 942534700 /nfs/dbraw/zinc/53/47/00/942534700.db2.gz LXLMNCZUZDXFEW-INIZCTEOSA-N 2 1 353.304 3.738 20 0 FHADMP COc1ccc(OC)c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804028 942536754 /nfs/dbraw/zinc/53/67/54/942536754.db2.gz CDYSBMJLDIIWJH-PZJWPPBQSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804028 942536758 /nfs/dbraw/zinc/53/67/58/942536758.db2.gz CDYSBMJLDIIWJH-PZJWPPBQSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804028 942536761 /nfs/dbraw/zinc/53/67/61/942536761.db2.gz CDYSBMJLDIIWJH-PZJWPPBQSA-N 2 1 366.505 3.658 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC000513834024 942548030 /nfs/dbraw/zinc/54/80/30/942548030.db2.gz NHBUKQIKVIAZDI-UHFFFAOYSA-N 2 1 357.542 3.619 20 0 FHADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000420284688 942604588 /nfs/dbraw/zinc/60/45/88/942604588.db2.gz DGTVUCJUPUHYFE-UHFFFAOYSA-N 2 1 351.466 3.910 20 0 FHADMP C[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000420287543 942606292 /nfs/dbraw/zinc/60/62/92/942606292.db2.gz IDFBTUOGKUWPLS-DOMZBBRYSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000420287543 942606298 /nfs/dbraw/zinc/60/62/98/942606298.db2.gz IDFBTUOGKUWPLS-DOMZBBRYSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305556 942611830 /nfs/dbraw/zinc/61/18/30/942611830.db2.gz KLYMOPMCKDOHTK-OCCSQVGLSA-N 2 1 360.914 3.885 20 0 FHADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420311387 942615946 /nfs/dbraw/zinc/61/59/46/942615946.db2.gz VSIQOCDVIHLLMN-SWLSCSKDSA-N 2 1 355.345 3.917 20 0 FHADMP C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420313584 942616275 /nfs/dbraw/zinc/61/62/75/942616275.db2.gz YCXFCVACTYDQFC-KRWDZBQOSA-N 2 1 358.505 3.860 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000420316450 942618806 /nfs/dbraw/zinc/61/88/06/942618806.db2.gz YECXVXLDWXIXOG-KFKAGJAMSA-N 2 1 363.461 3.673 20 0 FHADMP CCc1ccccc1C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420320104 942620965 /nfs/dbraw/zinc/62/09/65/942620965.db2.gz YHESSTQMAHTRRY-HXUWFJFHSA-N 2 1 352.526 3.610 20 0 FHADMP CCc1ccccc1C[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420320104 942620975 /nfs/dbraw/zinc/62/09/75/942620975.db2.gz YHESSTQMAHTRRY-HXUWFJFHSA-N 2 1 352.526 3.610 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338305 942623114 /nfs/dbraw/zinc/62/31/14/942623114.db2.gz KPUHHMMAXAUJBZ-RTWAWAEBSA-N 2 1 363.505 3.760 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000420325403 942628979 /nfs/dbraw/zinc/62/89/79/942628979.db2.gz WCDLIKOLYZAZFQ-CABCVRRESA-N 2 1 351.450 3.673 20 0 FHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326200 942629539 /nfs/dbraw/zinc/62/95/39/942629539.db2.gz XIDNCCTYZPQDMN-OLZOCXBDSA-N 2 1 360.914 3.885 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CC12CCOCC2 ZINC000420333790 942631393 /nfs/dbraw/zinc/63/13/93/942631393.db2.gz SXNRVDQBNBMTON-ZDUSSCGKSA-N 2 1 350.915 3.742 20 0 FHADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCCC1 ZINC000420361597 942638791 /nfs/dbraw/zinc/63/87/91/942638791.db2.gz ICHDWRAIZZTCLZ-NRFANRHFSA-N 2 1 351.494 3.936 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377975 942646557 /nfs/dbraw/zinc/64/65/57/942646557.db2.gz AUYQRAZDUVQXGK-CJNGLKHVSA-N 2 1 370.324 3.786 20 0 FHADMP C[NH+](C)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1 ZINC000425077883 942647827 /nfs/dbraw/zinc/64/78/27/942647827.db2.gz JGWUFJLPFLGDAX-UHFFFAOYSA-N 2 1 372.538 3.614 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)cc1)C(C)C ZINC000434420709 942663091 /nfs/dbraw/zinc/66/30/91/942663091.db2.gz RXMXAYOQTSRDLO-NRFANRHFSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1)C(C)C ZINC000434420709 942663093 /nfs/dbraw/zinc/66/30/93/942663093.db2.gz RXMXAYOQTSRDLO-NRFANRHFSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1)C(C)C ZINC000434420709 942663098 /nfs/dbraw/zinc/66/30/98/942663098.db2.gz RXMXAYOQTSRDLO-NRFANRHFSA-N 2 1 357.542 3.664 20 0 FHADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407707 942663428 /nfs/dbraw/zinc/66/34/28/942663428.db2.gz OOCOKSFWDAXBOQ-MSOLQXFVSA-N 2 1 367.493 3.724 20 0 FHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000502742523 942695223 /nfs/dbraw/zinc/69/52/23/942695223.db2.gz VZHFHXOQDMKRQT-HSALFYBXSA-N 2 1 351.579 3.752 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCCO[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081773 942733168 /nfs/dbraw/zinc/73/31/68/942733168.db2.gz CSWSQXOIEHMSGX-ZLNRFVROSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081773 942733170 /nfs/dbraw/zinc/73/31/70/942733170.db2.gz CSWSQXOIEHMSGX-ZLNRFVROSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081773 942733172 /nfs/dbraw/zinc/73/31/72/942733172.db2.gz CSWSQXOIEHMSGX-ZLNRFVROSA-N 2 1 372.553 3.906 20 0 FHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502795003 942748395 /nfs/dbraw/zinc/74/83/95/942748395.db2.gz JNKMWXBOEMRKOT-MOPGFXCFSA-N 2 1 374.573 3.680 20 0 FHADMP CC[C@H](CC(F)F)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659994153 942806335 /nfs/dbraw/zinc/80/63/35/942806335.db2.gz SJKJGBVWYBSVGL-QGZVFWFLSA-N 2 1 359.549 3.796 20 0 FHADMP CC[C@H](CC(F)F)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659994153 942806340 /nfs/dbraw/zinc/80/63/40/942806340.db2.gz SJKJGBVWYBSVGL-QGZVFWFLSA-N 3 1 359.549 3.796 20 0 FHADMP CC[C@H](CC(F)F)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659994153 942806348 /nfs/dbraw/zinc/80/63/48/942806348.db2.gz SJKJGBVWYBSVGL-QGZVFWFLSA-N 3 1 359.549 3.796 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414551682 942812936 /nfs/dbraw/zinc/81/29/36/942812936.db2.gz PFZUFGSIPORLEV-OAQYLSRUSA-N 2 1 371.569 3.622 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414551682 942812940 /nfs/dbraw/zinc/81/29/40/942812940.db2.gz PFZUFGSIPORLEV-OAQYLSRUSA-N 2 1 371.569 3.622 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414551682 942812947 /nfs/dbraw/zinc/81/29/47/942812947.db2.gz PFZUFGSIPORLEV-OAQYLSRUSA-N 2 1 371.569 3.622 20 0 FHADMP CC(=O)N1CC[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000378501731 942831831 /nfs/dbraw/zinc/83/18/31/942831831.db2.gz WNHFFVUSLSXAKB-XMSQKQJNSA-N 2 1 357.542 3.724 20 0 FHADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421827563 942835468 /nfs/dbraw/zinc/83/54/68/942835468.db2.gz YGUISBNPLNRKQH-FQEVSTJZSA-N 2 1 352.494 3.622 20 0 FHADMP OC1(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421848232 942858846 /nfs/dbraw/zinc/85/88/46/942858846.db2.gz AEPQQUKEXMVYHA-YPAWHYETSA-N 2 1 356.554 3.962 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000421884111 942864075 /nfs/dbraw/zinc/86/40/75/942864075.db2.gz UAWIPUQSGXKJFO-JTPDYBDNSA-N 3 1 355.570 3.892 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000421884111 942864085 /nfs/dbraw/zinc/86/40/85/942864085.db2.gz UAWIPUQSGXKJFO-JTPDYBDNSA-N 2 1 355.570 3.892 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000503072747 942956238 /nfs/dbraw/zinc/95/62/38/942956238.db2.gz JLIXRBNYBPCYEK-NRFANRHFSA-N 2 1 350.441 3.955 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000503072747 942956242 /nfs/dbraw/zinc/95/62/42/942956242.db2.gz JLIXRBNYBPCYEK-NRFANRHFSA-N 2 1 350.441 3.955 20 0 FHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854225 942968954 /nfs/dbraw/zinc/96/89/54/942968954.db2.gz URZWZOFVYRETFD-DNVCBOLYSA-N 2 1 365.949 3.574 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC1=CC[NH+](C)CC1)C1CCCCC1 ZINC000271762469 943045807 /nfs/dbraw/zinc/04/58/07/943045807.db2.gz AACRPXNNIOSMPM-UHFFFAOYSA-N 2 1 370.541 3.835 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NCC1=CC[N@H+](C)CC1)C1CCCCC1 ZINC000271762469 943045813 /nfs/dbraw/zinc/04/58/13/943045813.db2.gz AACRPXNNIOSMPM-UHFFFAOYSA-N 2 1 370.541 3.835 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NCC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000271762469 943045821 /nfs/dbraw/zinc/04/58/21/943045821.db2.gz AACRPXNNIOSMPM-UHFFFAOYSA-N 2 1 370.541 3.835 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000643376824 943090644 /nfs/dbraw/zinc/09/06/44/943090644.db2.gz LWXJLSRXBCBLRO-QHCPKHFHSA-N 2 1 368.496 3.736 20 0 FHADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000414652243 943103671 /nfs/dbraw/zinc/10/36/71/943103671.db2.gz GUKRJVVDTTWLJR-HXUWFJFHSA-N 2 1 360.505 3.687 20 0 FHADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000414659861 943134591 /nfs/dbraw/zinc/13/45/91/943134591.db2.gz UGWGOCNVMAMWFX-FQEVSTJZSA-N 2 1 360.505 3.687 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000414662372 943145138 /nfs/dbraw/zinc/14/51/38/943145138.db2.gz RDMDRHKSCZTPHE-XMSQKQJNSA-N 2 1 360.505 3.768 20 0 FHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000514612565 943146901 /nfs/dbraw/zinc/14/69/01/943146901.db2.gz QEAFGUOJGLNQFN-UHFFFAOYSA-N 2 1 362.315 3.995 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663849 943151422 /nfs/dbraw/zinc/15/14/22/943151422.db2.gz RYBAPJOXWVAUEB-CRAIPNDOSA-N 2 1 358.457 3.582 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2)cs1 ZINC000422560666 943181834 /nfs/dbraw/zinc/18/18/34/943181834.db2.gz HKKLLIXZAJAYDC-DAYGRLMNSA-N 2 1 359.539 3.836 20 0 FHADMP CC(=O)c1ccccc1OCCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437087 943183383 /nfs/dbraw/zinc/18/33/83/943183383.db2.gz WTIUXLVRURQLCN-SFHVURJKSA-N 2 1 367.493 3.680 20 0 FHADMP CCCCN(CCCC)C(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503438001 943183851 /nfs/dbraw/zinc/18/38/51/943183851.db2.gz NWJNGKMSEBUMCI-LJQANCHMSA-N 2 1 374.573 3.828 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924954985 943192637 /nfs/dbraw/zinc/19/26/37/943192637.db2.gz YWCMXUVKVJDFDM-LRDDRELGSA-N 2 1 363.303 3.652 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000422638933 943207067 /nfs/dbraw/zinc/20/70/67/943207067.db2.gz RUWDMSMEGKDSJZ-MBOZVWFJSA-N 2 1 351.494 3.744 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430133084 943210828 /nfs/dbraw/zinc/21/08/28/943210828.db2.gz AIQIUBZDAGDRGF-FQEVSTJZSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430133084 943210834 /nfs/dbraw/zinc/21/08/34/943210834.db2.gz AIQIUBZDAGDRGF-FQEVSTJZSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430133084 943210843 /nfs/dbraw/zinc/21/08/43/943210843.db2.gz AIQIUBZDAGDRGF-FQEVSTJZSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430133084 943210849 /nfs/dbraw/zinc/21/08/49/943210849.db2.gz AIQIUBZDAGDRGF-FQEVSTJZSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nc(COc2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2)cs1 ZINC000430135715 943213522 /nfs/dbraw/zinc/21/35/22/943213522.db2.gz UJKKUCFAKXNWFC-FQEVSTJZSA-N 2 1 357.523 3.558 20 0 FHADMP Cc1nc(COc2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2)cs1 ZINC000430135715 943213530 /nfs/dbraw/zinc/21/35/30/943213530.db2.gz UJKKUCFAKXNWFC-FQEVSTJZSA-N 2 1 357.523 3.558 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)cs1 ZINC000430135715 943213535 /nfs/dbraw/zinc/21/35/35/943213535.db2.gz UJKKUCFAKXNWFC-FQEVSTJZSA-N 2 1 357.523 3.558 20 0 FHADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)cs1 ZINC000430135715 943213542 /nfs/dbraw/zinc/21/35/42/943213542.db2.gz UJKKUCFAKXNWFC-FQEVSTJZSA-N 2 1 357.523 3.558 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414678938 943223064 /nfs/dbraw/zinc/22/30/64/943223064.db2.gz YOYTZAJDKDKRSB-ZOBUZTSGSA-N 2 1 352.906 3.697 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414678938 943223068 /nfs/dbraw/zinc/22/30/68/943223068.db2.gz YOYTZAJDKDKRSB-ZOBUZTSGSA-N 2 1 352.906 3.697 20 0 FHADMP CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC(F)F ZINC000422694745 943234597 /nfs/dbraw/zinc/23/45/97/943234597.db2.gz OLFPTJQACBUAFD-YOEHRIQHSA-N 2 1 364.436 3.735 20 0 FHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422699336 943237411 /nfs/dbraw/zinc/23/74/11/943237411.db2.gz AKICCFXVIXIGAF-SJORKVTESA-N 2 1 371.481 3.641 20 0 FHADMP CC[C@@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704858 943240077 /nfs/dbraw/zinc/24/00/77/943240077.db2.gz ARBIFXIMYPFWAF-MOPGFXCFSA-N 2 1 369.475 3.790 20 0 FHADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000422706844 943241153 /nfs/dbraw/zinc/24/11/53/943241153.db2.gz GEKBCOSVEMBFCM-NMIHRBCNSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754802 943272970 /nfs/dbraw/zinc/27/29/70/943272970.db2.gz GERFYSQVVPJWHB-KYJSFNMBSA-N 3 1 357.464 3.805 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754802 943272975 /nfs/dbraw/zinc/27/29/75/943272975.db2.gz GERFYSQVVPJWHB-KYJSFNMBSA-N 3 1 357.464 3.805 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)cc1 ZINC000422777629 943279179 /nfs/dbraw/zinc/27/91/79/943279179.db2.gz FVUVYARBHBNBKN-XZOQPEGZSA-N 2 1 365.521 3.642 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765695 943285854 /nfs/dbraw/zinc/28/58/54/943285854.db2.gz RBFOXJDFADBZDD-QFHJOOASSA-N 2 1 369.475 3.805 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765695 943285858 /nfs/dbraw/zinc/28/58/58/943285858.db2.gz RBFOXJDFADBZDD-QFHJOOASSA-N 2 1 369.475 3.805 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422804757 943289424 /nfs/dbraw/zinc/28/94/24/943289424.db2.gz LCWSVOHHWRNOTA-RDTXWAMCSA-N 2 1 352.400 3.676 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836860 943300481 /nfs/dbraw/zinc/30/04/81/943300481.db2.gz KSEDREYIRFTFSZ-LBVMUVSTSA-N 2 1 351.538 3.588 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OCCC(C)C)c1 ZINC000422861352 943309335 /nfs/dbraw/zinc/30/93/35/943309335.db2.gz JEELZJQAIVOBSL-PCCBWWKXSA-N 2 1 360.542 3.667 20 0 FHADMP C[C@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000422846189 943312809 /nfs/dbraw/zinc/31/28/09/943312809.db2.gz PMCTZSRPOJGWRI-UGSOOPFHSA-N 2 1 362.880 3.774 20 0 FHADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880241 943314945 /nfs/dbraw/zinc/31/49/45/943314945.db2.gz NRYPARQALIGCKO-SUMWQHHRSA-N 2 1 357.325 3.629 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873485 943322703 /nfs/dbraw/zinc/32/27/03/943322703.db2.gz AOUGGPHQKLMXTE-JROBLHLSSA-N 3 1 371.569 3.590 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422918907 943341449 /nfs/dbraw/zinc/34/14/49/943341449.db2.gz IXFABADBTFBXGU-HLRQEUIKSA-N 2 1 357.542 3.630 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922374 943346795 /nfs/dbraw/zinc/34/67/95/943346795.db2.gz KSNFJGYSYPVYET-MSOLQXFVSA-N 2 1 351.560 3.512 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422951502 943347487 /nfs/dbraw/zinc/34/74/87/943347487.db2.gz YUQVFUAKQWNXCZ-RDTXWAMCSA-N 2 1 352.400 3.632 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422953989 943348304 /nfs/dbraw/zinc/34/83/04/943348304.db2.gz GUJKKSKUFFYPEM-PBHICJAKSA-N 2 1 352.400 3.632 20 0 FHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)CC1 ZINC000584670893 943358730 /nfs/dbraw/zinc/35/87/30/943358730.db2.gz WUKUGOICKLDSLR-VSKRKVRLSA-N 2 1 356.558 3.502 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414711112 943362767 /nfs/dbraw/zinc/36/27/67/943362767.db2.gz LXYNEUKMRITACN-HXUWFJFHSA-N 2 1 370.541 3.809 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)c2ccccc21 ZINC000423007256 943362964 /nfs/dbraw/zinc/36/29/64/943362964.db2.gz XFEULIGQXBZECN-MSOLQXFVSA-N 2 1 350.384 4.000 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435369985 943364009 /nfs/dbraw/zinc/36/40/09/943364009.db2.gz HEPPULANHNKDRS-VQIMIIECSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435369985 943364016 /nfs/dbraw/zinc/36/40/16/943364016.db2.gz HEPPULANHNKDRS-VQIMIIECSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c[nH+]ccc1N ZINC000423047703 943369010 /nfs/dbraw/zinc/36/90/10/943369010.db2.gz VLGFGOZFOOAJMH-RYUDHWBXSA-N 2 1 351.281 3.730 20 0 FHADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022828 943369534 /nfs/dbraw/zinc/36/95/34/943369534.db2.gz FZRHSUXOOHWYOM-RYUDHWBXSA-N 2 1 368.102 3.604 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382154 943370920 /nfs/dbraw/zinc/37/09/20/943370920.db2.gz ZTNMNOZPNSJYKW-WIYYLYMNSA-N 2 1 360.505 3.768 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382151 943371035 /nfs/dbraw/zinc/37/10/35/943371035.db2.gz ZTNMNOZPNSJYKW-NQIIRXRSSA-N 2 1 360.505 3.768 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382893 943371414 /nfs/dbraw/zinc/37/14/14/943371414.db2.gz FOUYZOSZNFKGJF-WMLDXEAASA-N 2 1 366.431 3.509 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382893 943371420 /nfs/dbraw/zinc/37/14/20/943371420.db2.gz FOUYZOSZNFKGJF-WMLDXEAASA-N 2 1 366.431 3.509 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036499 943372971 /nfs/dbraw/zinc/37/29/71/943372971.db2.gz UEUNSZRWQFXSGR-ACJLOTCBSA-N 2 1 356.341 3.545 20 0 FHADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414713288 943374116 /nfs/dbraw/zinc/37/41/16/943374116.db2.gz ONLHBQHBMSQJOG-DLBZAZTESA-N 2 1 358.530 3.652 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435390453 943376550 /nfs/dbraw/zinc/37/65/50/943376550.db2.gz PHYWFQAKKWNJHS-QGZVFWFLSA-N 2 1 354.494 3.802 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435390453 943376555 /nfs/dbraw/zinc/37/65/55/943376555.db2.gz PHYWFQAKKWNJHS-QGZVFWFLSA-N 2 1 354.494 3.802 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435390434 943376711 /nfs/dbraw/zinc/37/67/11/943376711.db2.gz BAXLNBVHPLCEAG-GOSISDBHSA-N 2 1 360.933 3.633 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435390434 943376715 /nfs/dbraw/zinc/37/67/15/943376715.db2.gz BAXLNBVHPLCEAG-GOSISDBHSA-N 2 1 360.933 3.633 20 0 FHADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085196 943388829 /nfs/dbraw/zinc/38/88/29/943388829.db2.gz JZOOLXCUSIARIJ-QCRHNUIXSA-N 2 1 373.507 3.692 20 0 FHADMP Fc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)cc1Cl ZINC000423089330 943389910 /nfs/dbraw/zinc/38/99/10/943389910.db2.gz UUVDGVUIXOGUTB-HKUYNNGSSA-N 2 1 364.823 3.964 20 0 FHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccccc1 ZINC000435399740 943391863 /nfs/dbraw/zinc/39/18/63/943391863.db2.gz YSUZTXVRTZUIOV-WCRBZPEASA-N 2 1 366.505 3.989 20 0 FHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccccc1 ZINC000435399740 943391868 /nfs/dbraw/zinc/39/18/68/943391868.db2.gz YSUZTXVRTZUIOV-WCRBZPEASA-N 2 1 366.505 3.989 20 0 FHADMP COCc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423099165 943393863 /nfs/dbraw/zinc/39/38/63/943393863.db2.gz LRAWZZGMDUHTEL-OKZBNKHCSA-N 2 1 371.550 3.967 20 0 FHADMP COc1cc(F)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000514944745 943395658 /nfs/dbraw/zinc/39/56/58/943395658.db2.gz PPBSEPMJLKYHBG-SJLPKXTDSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(F)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000514944745 943395665 /nfs/dbraw/zinc/39/56/65/943395665.db2.gz PPBSEPMJLKYHBG-SJLPKXTDSA-N 2 1 372.484 3.843 20 0 FHADMP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414717630 943397125 /nfs/dbraw/zinc/39/71/25/943397125.db2.gz UPRAKDNZHXMSJS-SFHVURJKSA-N 2 1 360.546 3.946 20 0 FHADMP OCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000582102960 943397495 /nfs/dbraw/zinc/39/74/95/943397495.db2.gz HZZUZMBXPLKWPQ-GOSISDBHSA-N 2 1 356.432 3.593 20 0 FHADMP CCOc1cccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435421343 943401922 /nfs/dbraw/zinc/40/19/22/943401922.db2.gz IXRAYKPXDZMDIV-GOSISDBHSA-N 2 1 357.523 3.686 20 0 FHADMP CCOc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435421343 943401927 /nfs/dbraw/zinc/40/19/27/943401927.db2.gz IXRAYKPXDZMDIV-GOSISDBHSA-N 2 1 357.523 3.686 20 0 FHADMP CCc1nc2cc(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000423111343 943404172 /nfs/dbraw/zinc/40/41/72/943404172.db2.gz IWNNQCCIPRBPPL-JXFKEZNVSA-N 2 1 362.521 3.982 20 0 FHADMP c1csc(C[N@H+](Cc2cccc3cccnc32)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435422928 943404321 /nfs/dbraw/zinc/40/43/21/943404321.db2.gz QXNIEPAMBUYNQC-SFHVURJKSA-N 2 1 364.518 3.836 20 0 FHADMP c1csc(C[N@@H+](Cc2cccc3cccnc32)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435422928 943404324 /nfs/dbraw/zinc/40/43/24/943404324.db2.gz QXNIEPAMBUYNQC-SFHVURJKSA-N 2 1 364.518 3.836 20 0 FHADMP C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112148 943405409 /nfs/dbraw/zinc/40/54/09/943405409.db2.gz XFPMFRMUAUWKMV-DQOUOHSBSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112148 943405411 /nfs/dbraw/zinc/40/54/11/943405411.db2.gz XFPMFRMUAUWKMV-DQOUOHSBSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112148 943405413 /nfs/dbraw/zinc/40/54/13/943405413.db2.gz XFPMFRMUAUWKMV-DQOUOHSBSA-N 3 1 361.961 3.984 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143550 943418446 /nfs/dbraw/zinc/41/84/46/943418446.db2.gz XFAVRNPRJAJURW-NQIIRXRSSA-N 3 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143550 943418449 /nfs/dbraw/zinc/41/84/49/943418449.db2.gz XFAVRNPRJAJURW-NQIIRXRSSA-N 2 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143550 943418453 /nfs/dbraw/zinc/41/84/53/943418453.db2.gz XFAVRNPRJAJURW-NQIIRXRSSA-N 2 1 366.553 3.802 20 0 FHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184442 943419866 /nfs/dbraw/zinc/41/98/66/943419866.db2.gz ICHLSCCJHFHWGY-HNNXBMFYSA-N 2 1 351.416 3.801 20 0 FHADMP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435446866 943421778 /nfs/dbraw/zinc/42/17/78/943421778.db2.gz MNFPVKQXIURAEB-SFHVURJKSA-N 2 1 366.431 3.524 20 0 FHADMP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435446866 943421782 /nfs/dbraw/zinc/42/17/82/943421782.db2.gz MNFPVKQXIURAEB-SFHVURJKSA-N 2 1 366.431 3.524 20 0 FHADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCS2 ZINC000423180351 943428883 /nfs/dbraw/zinc/42/88/83/943428883.db2.gz AWMPSBORLWTKLX-LJQANCHMSA-N 2 1 357.523 3.787 20 0 FHADMP C[C@H](CC[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000514991120 943437750 /nfs/dbraw/zinc/43/77/50/943437750.db2.gz BOVOVAGUDIBNEW-QUCCMNQESA-N 2 1 357.567 3.820 20 0 FHADMP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893297123 943447575 /nfs/dbraw/zinc/44/75/75/943447575.db2.gz JQWJXOARBSMZKO-CZLXLUGWSA-N 2 1 367.331 3.740 20 0 FHADMP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414727423 943457374 /nfs/dbraw/zinc/45/73/74/943457374.db2.gz BCMZHDJBPSMHFG-HUUCEWRRSA-N 2 1 371.447 3.742 20 0 FHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423261347 943462647 /nfs/dbraw/zinc/46/26/47/943462647.db2.gz JTZVHUDIWHOONM-CGTJXYLNSA-N 2 1 352.494 3.798 20 0 FHADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423325460 943480439 /nfs/dbraw/zinc/48/04/39/943480439.db2.gz JSUHBAWLZCKPRF-DIFFPNOSSA-N 2 1 364.383 3.930 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000584718711 943482061 /nfs/dbraw/zinc/48/20/61/943482061.db2.gz ZNFGLYICBBXVFM-FGSXEWAUSA-N 2 1 365.521 3.831 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)[C@@H](C)C1 ZINC000417303093 943496329 /nfs/dbraw/zinc/49/63/29/943496329.db2.gz DEQWXVGMYCAWAC-FKSLSLAPSA-N 2 1 350.572 3.967 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)[C@@H](C)C1 ZINC000417303086 943496709 /nfs/dbraw/zinc/49/67/09/943496709.db2.gz DEQWXVGMYCAWAC-APAFKAMOSA-N 2 1 350.572 3.967 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417320138 943513451 /nfs/dbraw/zinc/51/34/51/943513451.db2.gz IYVLMKIYGZLCNX-LSTHTHJFSA-N 2 1 356.535 3.862 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435616907 943516972 /nfs/dbraw/zinc/51/69/72/943516972.db2.gz UPDHAHVEYZJGMW-NRFANRHFSA-N 2 1 351.494 3.903 20 0 FHADMP Clc1ccccc1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435623437 943525487 /nfs/dbraw/zinc/52/54/87/943525487.db2.gz COPZWNFPTVDZJO-GOSISDBHSA-N 2 1 359.901 3.758 20 0 FHADMP Clc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435623437 943525491 /nfs/dbraw/zinc/52/54/91/943525491.db2.gz COPZWNFPTVDZJO-GOSISDBHSA-N 2 1 359.901 3.758 20 0 FHADMP Fc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423500990 943530321 /nfs/dbraw/zinc/53/03/21/943530321.db2.gz CKIFWFZMLRHQTQ-XPPIMPSXSA-N 2 1 367.512 3.721 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)sc1Cl ZINC000423503755 943531076 /nfs/dbraw/zinc/53/10/76/943531076.db2.gz FZXRHAIPXNTUPF-PNESKVBLSA-N 2 1 362.370 3.922 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C3)cc1 ZINC000423507431 943532280 /nfs/dbraw/zinc/53/22/80/943532280.db2.gz IOZUJEGEFUMTMH-VHJOFQCFSA-N 2 1 361.533 3.527 20 0 FHADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423507211 943532330 /nfs/dbraw/zinc/53/23/30/943532330.db2.gz HUDCBXVJYSIYHD-XMSQKQJNSA-N 2 1 354.494 3.603 20 0 FHADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423494927 943537008 /nfs/dbraw/zinc/53/70/08/943537008.db2.gz STKVJZGXXVQNMD-WBVHZDCISA-N 2 1 350.915 3.653 20 0 FHADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512143 943542058 /nfs/dbraw/zinc/54/20/58/943542058.db2.gz OFIUNCBABXEZPM-AOCRQIFASA-N 2 1 355.526 3.862 20 0 FHADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000423516645 943542758 /nfs/dbraw/zinc/54/27/58/943542758.db2.gz AYJOCHVZWXYUBJ-BQWSTDTNSA-N 2 1 374.525 3.517 20 0 FHADMP Fc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCCC2)cc1 ZINC000423522282 943545809 /nfs/dbraw/zinc/54/58/09/943545809.db2.gz ULQYPPZOCGUEGQ-LZBANZJXSA-N 2 1 359.533 3.863 20 0 FHADMP CC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423574339 943561027 /nfs/dbraw/zinc/56/10/27/943561027.db2.gz PIYQEGCMAYKGJV-NRFANRHFSA-N 2 1 373.491 3.999 20 0 FHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435730453 943573822 /nfs/dbraw/zinc/57/38/22/943573822.db2.gz HBLIFUBBHFJRHT-HXUWFJFHSA-N 2 1 358.530 3.667 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000638131541 943604052 /nfs/dbraw/zinc/60/40/52/943604052.db2.gz KKVOOCBHJFRKCO-UHFFFAOYSA-N 2 1 355.473 3.590 20 0 FHADMP c1ccc(N2CCOCC2)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016788 943613614 /nfs/dbraw/zinc/61/36/14/943613614.db2.gz AFPLHVZVYAQDFC-NRFANRHFSA-N 2 1 371.569 3.611 20 0 FHADMP c1ccc(N2CCOCC2)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016788 943613616 /nfs/dbraw/zinc/61/36/16/943613616.db2.gz AFPLHVZVYAQDFC-NRFANRHFSA-N 2 1 371.569 3.611 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000423986422 943673885 /nfs/dbraw/zinc/67/38/85/943673885.db2.gz XZVMQNIZXVUSTA-LEWJYISDSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846981 943759835 /nfs/dbraw/zinc/75/98/35/943759835.db2.gz VJRLBJAZWOHXKJ-UZLBHIALSA-N 2 1 364.468 3.990 20 0 FHADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846981 943759843 /nfs/dbraw/zinc/75/98/43/943759843.db2.gz VJRLBJAZWOHXKJ-UZLBHIALSA-N 2 1 364.468 3.990 20 0 FHADMP [NH3+][C@H](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178779 943762386 /nfs/dbraw/zinc/76/23/86/943762386.db2.gz WVISLVKNSCUXSR-SFHLNBCPSA-N 2 1 361.574 3.540 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC12CCOCC2 ZINC000414777381 943784538 /nfs/dbraw/zinc/78/45/38/943784538.db2.gz IFDWMJJFLBGSDC-HXUWFJFHSA-N 2 1 354.469 3.680 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CC12CCOCC2 ZINC000414778892 943793398 /nfs/dbraw/zinc/79/33/98/943793398.db2.gz JNANTHATRQNFIQ-MRXNPFEDSA-N 2 1 360.498 3.742 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000584869022 943821654 /nfs/dbraw/zinc/82/16/54/943821654.db2.gz RXCCSBUKWNIQEM-FPOVZHCZSA-N 2 1 367.537 3.913 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCc3ccncc3)cc1)CC[NH2+]CC2 ZINC000424295923 943825155 /nfs/dbraw/zinc/82/51/55/943825155.db2.gz RRIKLNMGXGSHML-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1F ZINC000424296810 943826451 /nfs/dbraw/zinc/82/64/51/943826451.db2.gz SIFWKYYAZBWNLS-INIZCTEOSA-N 2 1 372.488 3.581 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284161 943836880 /nfs/dbraw/zinc/83/68/80/943836880.db2.gz CVSHRSFNPRWAEO-OAHLLOKOSA-N 2 1 356.466 3.574 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782762 943844767 /nfs/dbraw/zinc/84/47/67/943844767.db2.gz OUHOEWRCMUYSOU-GJZGRUSLSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000516970679 943870755 /nfs/dbraw/zinc/87/07/55/943870755.db2.gz YYYYEGPEEJCGKZ-FCHUYYIVSA-N 2 1 366.553 3.678 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCC[C@@H]1C ZINC000516979988 943881354 /nfs/dbraw/zinc/88/13/54/943881354.db2.gz UGEFMJBHTYNYIS-GHTZIAJQSA-N 2 1 363.590 3.610 20 0 FHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000424367854 943881820 /nfs/dbraw/zinc/88/18/20/943881820.db2.gz ODXKVBSLIDQWJV-HUUCEWRRSA-N 2 1 366.328 3.932 20 0 FHADMP CCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424374317 943884059 /nfs/dbraw/zinc/88/40/59/943884059.db2.gz IFPVFEIIJUIWTI-AWEZNQCLSA-N 2 1 354.441 3.651 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N(C)c3ccccc3)nc1)CC[NH2+]CC2 ZINC000424375077 943885910 /nfs/dbraw/zinc/88/59/10/943885910.db2.gz JHHZKNPQNVGHPB-SFHVURJKSA-N 2 1 350.510 3.814 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000417868665 943910328 /nfs/dbraw/zinc/91/03/28/943910328.db2.gz CTWDTGGFXFVWNK-RXVVDRJESA-N 2 1 374.573 3.577 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000417868667 943910363 /nfs/dbraw/zinc/91/03/63/943910363.db2.gz CTWDTGGFXFVWNK-WIYYLYMNSA-N 2 1 374.573 3.577 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424429454 943923769 /nfs/dbraw/zinc/92/37/69/943923769.db2.gz XAKMPORTEJEMJU-ZWKOTPCHSA-N 2 1 366.509 3.580 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424436714 943928708 /nfs/dbraw/zinc/92/87/08/943928708.db2.gz MTFUQBSIYUWSNQ-NRFANRHFSA-N 2 1 366.509 3.582 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424435090 943929102 /nfs/dbraw/zinc/92/91/02/943929102.db2.gz KRAKJWANALLKRV-SFHVURJKSA-N 2 1 366.509 3.582 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CC12CCOCC2 ZINC000414789782 943934432 /nfs/dbraw/zinc/93/44/32/943934432.db2.gz OOMQNNVDQDQMCK-MRXNPFEDSA-N 2 1 360.498 3.742 20 0 FHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000515565895 943997852 /nfs/dbraw/zinc/99/78/52/943997852.db2.gz WLSGGBFUJHXJQT-IBGZPJMESA-N 2 1 359.558 3.525 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000517146056 944044106 /nfs/dbraw/zinc/04/41/06/944044106.db2.gz XENOVGVYPYWMCA-TZMCWYRMSA-N 2 1 370.337 3.600 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000517146056 944044111 /nfs/dbraw/zinc/04/41/11/944044111.db2.gz XENOVGVYPYWMCA-TZMCWYRMSA-N 2 1 370.337 3.600 20 0 FHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000418037658 944087349 /nfs/dbraw/zinc/08/73/49/944087349.db2.gz RDRDMAAMVRBRJD-ZRBLBEILSA-N 2 1 350.506 3.671 20 0 FHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000418037658 944087356 /nfs/dbraw/zinc/08/73/56/944087356.db2.gz RDRDMAAMVRBRJD-ZRBLBEILSA-N 2 1 350.506 3.671 20 0 FHADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000517202814 944100751 /nfs/dbraw/zinc/10/07/51/944100751.db2.gz ZPXRSGZDALUWFS-LJQANCHMSA-N 2 1 371.550 3.969 20 0 FHADMP CC(=O)Nc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000517202814 944100756 /nfs/dbraw/zinc/10/07/56/944100756.db2.gz ZPXRSGZDALUWFS-LJQANCHMSA-N 2 1 371.550 3.969 20 0 FHADMP CC(=O)Nc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000517202814 944100764 /nfs/dbraw/zinc/10/07/64/944100764.db2.gz ZPXRSGZDALUWFS-LJQANCHMSA-N 2 1 371.550 3.969 20 0 FHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436286115 944164580 /nfs/dbraw/zinc/16/45/80/944164580.db2.gz ARKDZTUFELEFNV-BIXGBWIQSA-N 2 1 350.547 3.885 20 0 FHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)C[NH+](C)C ZINC000425920212 944173407 /nfs/dbraw/zinc/17/34/07/944173407.db2.gz JYFYUZAXWLSWDP-SOLBZPMBSA-N 2 1 352.494 3.622 20 0 FHADMP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515755669 944183062 /nfs/dbraw/zinc/18/30/62/944183062.db2.gz YORQWGIAYPRPPY-RBUKOAKNSA-N 2 1 359.558 3.701 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756126 944184717 /nfs/dbraw/zinc/18/47/17/944184717.db2.gz MAWQUWWFECRADR-VQTJNVASSA-N 2 1 371.569 3.798 20 0 FHADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882040 944221906 /nfs/dbraw/zinc/22/19/06/944221906.db2.gz BJIYYFRKBLVDJS-XIKOKIGWSA-N 2 1 363.299 3.697 20 0 FHADMP CN(c1ccccc1C[N@@H+](C)C1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000511656100 944312850 /nfs/dbraw/zinc/31/28/50/944312850.db2.gz LHYUPVNHUMTQFH-UHFFFAOYSA-N 2 1 363.549 3.816 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000439083495 944322438 /nfs/dbraw/zinc/32/24/38/944322438.db2.gz GWITXZDKGKLLIN-IRXDYDNUSA-N 2 1 361.530 3.816 20 0 FHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426285655 944356611 /nfs/dbraw/zinc/35/66/11/944356611.db2.gz CIFCJCAMKWEUSV-TYPHKJRUSA-N 2 1 367.512 3.905 20 0 FHADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000517537076 944367667 /nfs/dbraw/zinc/36/76/67/944367667.db2.gz CXIFGZZOUDEUIX-JOCHJYFZSA-N 2 1 355.501 3.603 20 0 FHADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCc1ccc(F)cc1 ZINC000517545130 944392511 /nfs/dbraw/zinc/39/25/11/944392511.db2.gz CZBCEFMNCILZKD-UHFFFAOYSA-N 2 1 369.440 3.708 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000426300206 944397498 /nfs/dbraw/zinc/39/74/98/944397498.db2.gz CULWSTPKWYPPLS-GUDVDZBRSA-N 2 1 370.566 3.704 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000550200153 944402104 /nfs/dbraw/zinc/40/21/04/944402104.db2.gz AESQDEBXHKPRFB-AWEZNQCLSA-N 2 1 355.295 3.752 20 0 FHADMP COc1cccc2c1SC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167977835 944430519 /nfs/dbraw/zinc/43/05/19/944430519.db2.gz GCFJTDZIJYHTPP-MSRNWOCLSA-N 2 1 358.551 3.707 20 0 FHADMP c1ccc(C[NH+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167963923 944430982 /nfs/dbraw/zinc/43/09/82/944430982.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963923 944430988 /nfs/dbraw/zinc/43/09/88/944430988.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963923 944430990 /nfs/dbraw/zinc/43/09/90/944430990.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167963923 944430993 /nfs/dbraw/zinc/43/09/93/944430993.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167963923 944431002 /nfs/dbraw/zinc/43/10/02/944431002.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963923 944431005 /nfs/dbraw/zinc/43/10/05/944431005.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963923 944431010 /nfs/dbraw/zinc/43/10/10/944431010.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 3 1 367.581 3.894 20 0 FHADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CCCCOc2ccccc2)cc1 ZINC000414887544 944439718 /nfs/dbraw/zinc/43/97/18/944439718.db2.gz QREVRCCPMHAVPZ-FGZHOGPDSA-N 2 1 354.494 3.590 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@H+]1C ZINC000426325462 944447022 /nfs/dbraw/zinc/44/70/22/944447022.db2.gz VBTFDHCTVZCTOD-CABCVRRESA-N 2 1 351.332 3.943 20 0 FHADMP CC(C)c1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000426332718 944473716 /nfs/dbraw/zinc/47/37/16/944473716.db2.gz XFDMTIQQBBVYLH-YQQQUEKLSA-N 2 1 370.566 3.989 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000426332839 944477561 /nfs/dbraw/zinc/47/75/61/944477561.db2.gz FPPZAUIHCKYLBK-IPMKNSEASA-N 2 1 356.539 3.627 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000426332839 944477562 /nfs/dbraw/zinc/47/75/62/944477562.db2.gz FPPZAUIHCKYLBK-IPMKNSEASA-N 2 1 356.539 3.627 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949899 944484332 /nfs/dbraw/zinc/48/43/32/944484332.db2.gz FVGNGXBIODMUTL-UHFFFAOYSA-N 2 1 358.917 3.718 20 0 FHADMP COc1cc(Br)ccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000516117319 944502220 /nfs/dbraw/zinc/50/22/20/944502220.db2.gz ASZYNRFRSJXFDC-HNNXBMFYSA-N 2 1 367.331 3.621 20 0 FHADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000388422028 944510210 /nfs/dbraw/zinc/51/02/10/944510210.db2.gz QJNAOCMZLVQFMO-UHFFFAOYSA-N 2 1 372.294 3.645 20 0 FHADMP COc1cccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cc(F)ccc2OC)c1 ZINC000516194059 944566681 /nfs/dbraw/zinc/56/66/81/944566681.db2.gz XCPHXQPTOJHLKM-FVJLSDCUSA-N 2 1 358.457 3.792 20 0 FHADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000093442825 944606235 /nfs/dbraw/zinc/60/62/35/944606235.db2.gz HASOIPWGIBNULG-HSZRJFAPSA-N 2 1 368.521 3.717 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccns3)CC2)cs1 ZINC000925033031 944610037 /nfs/dbraw/zinc/61/00/37/944610037.db2.gz YNWDFNCCFCQKMO-ZDUSSCGKSA-N 2 1 350.557 3.725 20 0 FHADMP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000426017841 944630761 /nfs/dbraw/zinc/63/07/61/944630761.db2.gz NTONWFUGKJGNJQ-MJGOQNOKSA-N 2 1 371.491 3.761 20 0 FHADMP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000426017841 944630767 /nfs/dbraw/zinc/63/07/67/944630767.db2.gz NTONWFUGKJGNJQ-MJGOQNOKSA-N 2 1 371.491 3.761 20 0 FHADMP CC[C@@H]1C[NH+](Cc2ccc(C[N@H+]3CCCO[C@H](CC)C3)cc2)CCCO1 ZINC000439469974 944648105 /nfs/dbraw/zinc/64/81/05/944648105.db2.gz BMUVVQLQSACWLK-FGZHOGPDSA-N 2 1 360.542 3.688 20 0 FHADMP Cc1cccc(CC[N@@H+](C)[C@H]2CCC[NH+](CCc3cccc(C)n3)CC2)n1 ZINC000516283933 944688534 /nfs/dbraw/zinc/68/85/34/944688534.db2.gz RODNRIXFONAAGL-QHCPKHFHSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1cccc(CC[N@H+](C)[C@H]2CCC[NH+](CCc3cccc(C)n3)CC2)n1 ZINC000516283933 944688538 /nfs/dbraw/zinc/68/85/38/944688538.db2.gz RODNRIXFONAAGL-QHCPKHFHSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1cccc(CC[NH+](C)[C@H]2CCC[N@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283933 944688541 /nfs/dbraw/zinc/68/85/41/944688541.db2.gz RODNRIXFONAAGL-QHCPKHFHSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1cccc(CC[NH+](C)[C@H]2CCC[N@@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283933 944688544 /nfs/dbraw/zinc/68/85/44/944688544.db2.gz RODNRIXFONAAGL-QHCPKHFHSA-N 2 1 366.553 3.665 20 0 FHADMP Cc1ccc(CCC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000544128248 944747275 /nfs/dbraw/zinc/74/72/75/944747275.db2.gz VGEHEVMQYQAVDX-SFTDATJTSA-N 2 1 374.569 3.518 20 0 FHADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000366697956 944793205 /nfs/dbraw/zinc/79/32/05/944793205.db2.gz RCLJMJNHXXIQIO-QSFXBCCZSA-N 2 1 373.566 3.984 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000516397494 944794646 /nfs/dbraw/zinc/79/46/46/944794646.db2.gz JRSXUCSNUORWLI-LJQANCHMSA-N 2 1 357.542 3.667 20 0 FHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438571082 944806869 /nfs/dbraw/zinc/80/68/69/944806869.db2.gz UEQSHVHDPQCLOU-JOCHJYFZSA-N 2 1 369.553 3.696 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[NH2+]1 ZINC000414951810 945019517 /nfs/dbraw/zinc/01/95/17/945019517.db2.gz QEGBXXGGOROCJF-GOEBONIOSA-N 2 1 357.885 3.822 20 0 FHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414953679 945038401 /nfs/dbraw/zinc/03/84/01/945038401.db2.gz JZTNXIPORPVWCB-ABAIWWIYSA-N 2 1 366.328 3.660 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388792744 945043429 /nfs/dbraw/zinc/04/34/29/945043429.db2.gz SARXMDLGZPETMB-WSTZPKSXSA-N 2 1 351.494 3.514 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388792744 945043437 /nfs/dbraw/zinc/04/34/37/945043437.db2.gz SARXMDLGZPETMB-WSTZPKSXSA-N 2 1 351.494 3.514 20 0 FHADMP C[NH+](C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000519453968 945424867 /nfs/dbraw/zinc/42/48/67/945424867.db2.gz VRRHFEBCAYRFIK-FQEVSTJZSA-N 2 1 357.542 3.594 20 0 FHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000467410820 945471783 /nfs/dbraw/zinc/47/17/83/945471783.db2.gz KXIOGNPNPILNIZ-UHFFFAOYSA-N 2 1 365.949 3.529 20 0 FHADMP C[C@@H](CCc1ccccc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000519498368 945490891 /nfs/dbraw/zinc/49/08/91/945490891.db2.gz FJLCXKUWAIUYEC-QFIPXVFZSA-N 2 1 365.565 3.757 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000281029778 945501698 /nfs/dbraw/zinc/50/16/98/945501698.db2.gz PBHRZQWHPCZQHS-LJQANCHMSA-N 2 1 370.497 3.615 20 0 FHADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061028 945514218 /nfs/dbraw/zinc/51/42/18/945514218.db2.gz XRFALEPZKZUIAX-FHERZECASA-N 2 1 370.368 3.730 20 0 FHADMP CCCC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000511885819 945562672 /nfs/dbraw/zinc/56/26/72/945562672.db2.gz RCCHWOZRAIECIO-UHFFFAOYSA-N 2 1 357.542 3.665 20 0 FHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443978300 945592794 /nfs/dbraw/zinc/59/27/94/945592794.db2.gz HEDZESSWLCPBPQ-UHFFFAOYSA-N 2 1 358.457 3.818 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4cnccc4o3)CC2)cs1 ZINC000651714165 945746837 /nfs/dbraw/zinc/74/68/37/945746837.db2.gz RWYHJDFHBRBTED-UHFFFAOYSA-N 2 1 370.522 3.849 20 0 FHADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1C ZINC000107730754 945770506 /nfs/dbraw/zinc/77/05/06/945770506.db2.gz GCGMFLXHBABUBJ-SFHLNBCPSA-N 2 1 363.590 3.515 20 0 FHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1ccccc1 ZINC000111108333 945829135 /nfs/dbraw/zinc/82/91/35/945829135.db2.gz SVFUGDVSXLAYFD-OAQYLSRUSA-N 2 1 369.509 3.649 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1ccccc1 ZINC000111108333 945829142 /nfs/dbraw/zinc/82/91/42/945829142.db2.gz SVFUGDVSXLAYFD-OAQYLSRUSA-N 2 1 369.509 3.649 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000111241070 945864144 /nfs/dbraw/zinc/86/41/44/945864144.db2.gz JPIAZIVSPXJOMG-UHFFFAOYSA-N 2 1 355.885 3.614 20 0 FHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428330870 946030942 /nfs/dbraw/zinc/03/09/42/946030942.db2.gz PQYPAOZWIRRQMG-NRFANRHFSA-N 2 1 371.550 3.594 20 0 FHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000428330870 946030954 /nfs/dbraw/zinc/03/09/54/946030954.db2.gz PQYPAOZWIRRQMG-NRFANRHFSA-N 2 1 371.550 3.594 20 0 FHADMP CC(C)c1[nH+]c(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c2ccccn21 ZINC000651845374 946064193 /nfs/dbraw/zinc/06/41/93/946064193.db2.gz KPHXVGLZYXYCJC-UXHICEINSA-N 2 1 362.521 3.893 20 0 FHADMP CC(C)c1[nH+]c(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c2ccccn21 ZINC000651845374 946064207 /nfs/dbraw/zinc/06/42/07/946064207.db2.gz KPHXVGLZYXYCJC-UXHICEINSA-N 2 1 362.521 3.893 20 0 FHADMP CCc1cc(NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000302069118 946107003 /nfs/dbraw/zinc/10/70/03/946107003.db2.gz XKDYIEVPGCNMBX-UHFFFAOYSA-N 2 1 354.498 3.680 20 0 FHADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661453290 946122973 /nfs/dbraw/zinc/12/29/73/946122973.db2.gz BNGWLOWSWTWTNM-LVCYWYKZSA-N 2 1 356.510 3.790 20 0 FHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000188227034 946159649 /nfs/dbraw/zinc/15/96/49/946159649.db2.gz CCRPQXHVEWOLQI-TZUVLKIQSA-N 2 1 351.332 3.985 20 0 FHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000188227034 946159654 /nfs/dbraw/zinc/15/96/54/946159654.db2.gz CCRPQXHVEWOLQI-TZUVLKIQSA-N 2 1 351.332 3.985 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000665580257 946182011 /nfs/dbraw/zinc/18/20/11/946182011.db2.gz SUIUQFQBLJEPDU-GOSISDBHSA-N 2 1 369.553 3.551 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188183445 946233889 /nfs/dbraw/zinc/23/38/89/946233889.db2.gz SYNPCYRRSVDNBC-KBPBESRZSA-N 2 1 350.304 3.811 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cc1 ZINC000651928462 946297262 /nfs/dbraw/zinc/29/72/62/946297262.db2.gz HRJWWHKDKMIMCZ-QFIPXVFZSA-N 2 1 360.517 3.627 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441220007 946311754 /nfs/dbraw/zinc/31/17/54/946311754.db2.gz SBVOYMGNZXUVCF-UHFFFAOYSA-N 2 1 358.505 3.955 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441220007 946311762 /nfs/dbraw/zinc/31/17/62/946311762.db2.gz SBVOYMGNZXUVCF-UHFFFAOYSA-N 2 1 358.505 3.955 20 0 FHADMP c1cncc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCCC2)c1 ZINC000652149788 946382078 /nfs/dbraw/zinc/38/20/78/946382078.db2.gz AVGPNIRLZGFKOO-NRFANRHFSA-N 2 1 357.542 3.938 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150118 946383588 /nfs/dbraw/zinc/38/35/88/946383588.db2.gz MHQQAHGCSSDQMI-WMZOPIPTSA-N 2 1 364.530 3.874 20 0 FHADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652149102 946386764 /nfs/dbraw/zinc/38/67/64/946386764.db2.gz RWJZECLOTSSLMN-YOEHRIQHSA-N 2 1 361.486 3.594 20 0 FHADMP CCN(CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000475135693 946455017 /nfs/dbraw/zinc/45/50/17/946455017.db2.gz NCYOMXGOJVPVQG-UHFFFAOYSA-N 2 1 371.491 3.857 20 0 FHADMP CCN(CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000475135693 946455025 /nfs/dbraw/zinc/45/50/25/946455025.db2.gz NCYOMXGOJVPVQG-UHFFFAOYSA-N 2 1 371.491 3.857 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475514998 946553835 /nfs/dbraw/zinc/55/38/35/946553835.db2.gz WWLQRHJVZGEUMU-SPEDKVCISA-N 2 1 369.553 3.550 20 0 FHADMP CCSc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000473143383 946591659 /nfs/dbraw/zinc/59/16/59/946591659.db2.gz XMQGTKNHISVDOY-UHFFFAOYSA-N 2 1 361.599 3.789 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000475197199 946703725 /nfs/dbraw/zinc/70/37/25/946703725.db2.gz XMEWOVDZCSSNGU-IKGGRYGDSA-N 2 1 361.555 3.879 20 0 FHADMP CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000665821485 946759803 /nfs/dbraw/zinc/75/98/03/946759803.db2.gz NRCHZLYYAJUOMR-OAQYLSRUSA-N 2 1 372.557 3.663 20 0 FHADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877815 946811178 /nfs/dbraw/zinc/81/11/78/946811178.db2.gz ZMNQRIACFCTGGG-VABKMULXSA-N 2 1 372.553 3.559 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288371 946826643 /nfs/dbraw/zinc/82/66/43/946826643.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288371 946826656 /nfs/dbraw/zinc/82/66/56/946826656.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288371 946826668 /nfs/dbraw/zinc/82/66/68/946826668.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288371 946826679 /nfs/dbraw/zinc/82/66/79/946826679.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288371 946826686 /nfs/dbraw/zinc/82/66/86/946826686.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 2 1 363.549 3.619 20 0 FHADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564784 946841153 /nfs/dbraw/zinc/84/11/53/946841153.db2.gz IVSSUFGHBCVZTM-IBGZPJMESA-N 2 1 357.542 3.910 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000164602308 946872152 /nfs/dbraw/zinc/87/21/52/946872152.db2.gz BRMPRRKLDRRQIE-OAHLLOKOSA-N 2 1 355.486 3.606 20 0 FHADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995091 946892319 /nfs/dbraw/zinc/89/23/19/946892319.db2.gz VQZPWHSDGAHIRX-VDNRPAQBSA-N 2 1 367.581 3.988 20 0 FHADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995091 946892327 /nfs/dbraw/zinc/89/23/27/946892327.db2.gz VQZPWHSDGAHIRX-VDNRPAQBSA-N 2 1 367.581 3.988 20 0 FHADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995091 946892337 /nfs/dbraw/zinc/89/23/37/946892337.db2.gz VQZPWHSDGAHIRX-VDNRPAQBSA-N 2 1 367.581 3.988 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)C1 ZINC000652348595 946893686 /nfs/dbraw/zinc/89/36/86/946893686.db2.gz JIFXUOVZGFREPS-XPNTWCBSSA-N 2 1 352.522 3.991 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994676 946912766 /nfs/dbraw/zinc/91/27/66/946912766.db2.gz KBEPLRFMCXFYGZ-QUFMSWDXSA-N 2 1 353.554 3.771 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360962 946928552 /nfs/dbraw/zinc/92/85/52/946928552.db2.gz VCLDWXKNUONHKV-NXHRZFHOSA-N 2 1 354.947 3.793 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647978612 946984811 /nfs/dbraw/zinc/98/48/11/946984811.db2.gz VUFLCMMXLTZRTE-DLBZAZTESA-N 2 1 374.916 3.644 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644514 947065608 /nfs/dbraw/zinc/06/56/08/947065608.db2.gz FIHFZLHNNNBLDE-VXKWHMMOSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644514 947065622 /nfs/dbraw/zinc/06/56/22/947065622.db2.gz FIHFZLHNNNBLDE-VXKWHMMOSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644514 947065647 /nfs/dbraw/zinc/06/56/47/947065647.db2.gz FIHFZLHNNNBLDE-VXKWHMMOSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644514 947065634 /nfs/dbraw/zinc/06/56/34/947065634.db2.gz FIHFZLHNNNBLDE-VXKWHMMOSA-N 2 1 358.526 3.518 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000124572375 947119942 /nfs/dbraw/zinc/11/99/42/947119942.db2.gz SDIUQDRBYDTRPA-LJQANCHMSA-N 2 1 369.484 3.786 20 0 FHADMP CC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987704 947134087 /nfs/dbraw/zinc/13/40/87/947134087.db2.gz MAZOTSFICWMWLD-GMAHTHKFSA-N 2 1 357.586 3.918 20 0 FHADMP COc1ccccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167996154 947160343 /nfs/dbraw/zinc/16/03/43/947160343.db2.gz XUQZNZVSKMNWMU-JIRNRHONSA-N 2 1 356.510 3.554 20 0 FHADMP COc1ccccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167996154 947160348 /nfs/dbraw/zinc/16/03/48/947160348.db2.gz XUQZNZVSKMNWMU-JIRNRHONSA-N 2 1 356.510 3.554 20 0 FHADMP COc1ccccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167996154 947160355 /nfs/dbraw/zinc/16/03/55/947160355.db2.gz XUQZNZVSKMNWMU-JIRNRHONSA-N 2 1 356.510 3.554 20 0 FHADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000652523268 947264788 /nfs/dbraw/zinc/26/47/88/947264788.db2.gz KSSBXXFAQACJFQ-LJQANCHMSA-N 2 1 374.573 3.587 20 0 FHADMP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000652523268 947264799 /nfs/dbraw/zinc/26/47/99/947264799.db2.gz KSSBXXFAQACJFQ-LJQANCHMSA-N 2 1 374.573 3.587 20 0 FHADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000652523268 947264810 /nfs/dbraw/zinc/26/48/10/947264810.db2.gz KSSBXXFAQACJFQ-LJQANCHMSA-N 2 1 374.573 3.587 20 0 FHADMP Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000663188209 947331650 /nfs/dbraw/zinc/33/16/50/947331650.db2.gz DFZMBPFCXQJMQQ-JOCHJYFZSA-N 2 1 364.537 3.908 20 0 FHADMP CC1(C)C[N@@H+](CCC2(O)CCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663217213 947434446 /nfs/dbraw/zinc/43/44/46/947434446.db2.gz GLCYAGMCIHANMW-OAQYLSRUSA-N 2 1 356.554 3.914 20 0 FHADMP Fc1ccccc1-c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000189130152 947616869 /nfs/dbraw/zinc/61/68/69/947616869.db2.gz QGUHZRKMRDGFKX-UHFFFAOYSA-N 2 1 372.488 3.964 20 0 FHADMP Fc1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662253333 947674350 /nfs/dbraw/zinc/67/43/50/947674350.db2.gz JCWUIDBQJCTCOF-OAQYLSRUSA-N 2 1 354.469 3.653 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000189343970 947694706 /nfs/dbraw/zinc/69/47/06/947694706.db2.gz DEMUWBYHPKAYHN-UTKZUKDTSA-N 2 1 355.526 3.770 20 0 FHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274747 947698099 /nfs/dbraw/zinc/69/80/99/947698099.db2.gz WROCSANSXBNTON-MSOLQXFVSA-N 2 1 355.482 3.562 20 0 FHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189427262 947715535 /nfs/dbraw/zinc/71/55/35/947715535.db2.gz MOXWLGXGRNWXOS-LJQANCHMSA-N 2 1 362.876 3.726 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189427262 947715542 /nfs/dbraw/zinc/71/55/42/947715542.db2.gz MOXWLGXGRNWXOS-LJQANCHMSA-N 2 1 362.876 3.726 20 0 FHADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294407 947717612 /nfs/dbraw/zinc/71/76/12/947717612.db2.gz VVGPTWYKELYBHN-IBGZPJMESA-N 2 1 355.551 3.946 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298450 947721271 /nfs/dbraw/zinc/72/12/71/947721271.db2.gz WEKFSKVIMJGHDA-DOTOQJQBSA-N 2 1 363.933 3.687 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CCC[NH3+] ZINC000662311980 947736336 /nfs/dbraw/zinc/73/63/36/947736336.db2.gz FCOWNQHAPSESEW-DYESRHJHSA-N 2 1 352.526 3.700 20 0 FHADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000662315893 947744383 /nfs/dbraw/zinc/74/43/83/947744383.db2.gz VADOMPHENLVPFD-MBOZVWFJSA-N 2 1 363.521 3.575 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CCO1 ZINC000662320552 947749455 /nfs/dbraw/zinc/74/94/55/947749455.db2.gz CFLHTLZENKSGLJ-FQEVSTJZSA-N 2 1 356.510 3.651 20 0 FHADMP C[C@H](c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325753 947750857 /nfs/dbraw/zinc/75/08/57/947750857.db2.gz JKYPYQXVFOSICJ-CRAIPNDOSA-N 2 1 358.448 3.895 20 0 FHADMP C[C@H](c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325753 947750867 /nfs/dbraw/zinc/75/08/67/947750867.db2.gz JKYPYQXVFOSICJ-CRAIPNDOSA-N 2 1 358.448 3.895 20 0 FHADMP COc1cccc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326949 947758685 /nfs/dbraw/zinc/75/86/85/947758685.db2.gz HTHKPPJOIRIENK-INIZCTEOSA-N 2 1 368.525 3.826 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662387288 947777516 /nfs/dbraw/zinc/77/75/16/947777516.db2.gz DSVYKSZAPJTNKW-UHFFFAOYSA-N 2 1 360.461 3.910 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347591 947820743 /nfs/dbraw/zinc/82/07/43/947820743.db2.gz PNSOFVVGUXSPDX-INIZCTEOSA-N 2 1 354.441 3.508 20 0 FHADMP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503450 947873504 /nfs/dbraw/zinc/87/35/04/947873504.db2.gz UISGBFOBUSEULT-FXAWDEMLSA-N 2 1 363.505 3.587 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1)C(C)C ZINC000662598838 947924838 /nfs/dbraw/zinc/92/48/38/947924838.db2.gz ZNOMTKWGFNKLPF-JOCHJYFZSA-N 2 1 371.569 3.769 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc3c2CC[NH2+]C3)c1 ZINC000662684900 947979363 /nfs/dbraw/zinc/97/93/63/947979363.db2.gz LNPOYWUODDTRJL-UHFFFAOYSA-N 2 1 374.488 3.953 20 0 FHADMP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1F ZINC000662684455 947983385 /nfs/dbraw/zinc/98/33/85/947983385.db2.gz ZFLONVLSFVWWSQ-IBGZPJMESA-N 2 1 359.420 3.589 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467075 948057011 /nfs/dbraw/zinc/05/70/11/948057011.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467075 948057019 /nfs/dbraw/zinc/05/70/19/948057019.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467075 948057027 /nfs/dbraw/zinc/05/70/27/948057027.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467075 948057036 /nfs/dbraw/zinc/05/70/36/948057036.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467075 948057042 /nfs/dbraw/zinc/05/70/42/948057042.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467075 948057049 /nfs/dbraw/zinc/05/70/49/948057049.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467075 948057053 /nfs/dbraw/zinc/05/70/53/948057053.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467075 948057061 /nfs/dbraw/zinc/05/70/61/948057061.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467075 948057071 /nfs/dbraw/zinc/05/70/71/948057071.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 2 1 355.570 3.609 20 0 FHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469844 948065129 /nfs/dbraw/zinc/06/51/29/948065129.db2.gz REACMSBMBVQBIB-VQTJNVASSA-N 2 1 360.542 3.737 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473202184 948089137 /nfs/dbraw/zinc/08/91/37/948089137.db2.gz QDVGOUROZSCHEC-NHCUHLMSSA-N 2 1 359.558 3.524 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccc(F)cc1 ZINC000166237893 948097909 /nfs/dbraw/zinc/09/79/09/948097909.db2.gz QWYFIVDSVKXTPH-TZIWHRDSSA-N 2 1 367.468 3.794 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1ccc(F)cc1 ZINC000166237893 948097922 /nfs/dbraw/zinc/09/79/22/948097922.db2.gz QWYFIVDSVKXTPH-TZIWHRDSSA-N 2 1 367.468 3.794 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825720 948126899 /nfs/dbraw/zinc/12/68/99/948126899.db2.gz SRIZNBIDYLSIIK-MOPGFXCFSA-N 3 1 353.595 3.509 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827819 948160002 /nfs/dbraw/zinc/16/00/02/948160002.db2.gz XUFVDZSUQNQSFT-ROUUACIJSA-N 2 1 355.567 3.686 20 0 FHADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432368425 948240434 /nfs/dbraw/zinc/24/04/34/948240434.db2.gz PUKHPMSQMPXNOA-CVEARBPZSA-N 2 1 369.347 3.643 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCOc4cc(F)ccc43)CC2)nc(C)[nH+]1 ZINC000182110136 948256510 /nfs/dbraw/zinc/25/65/10/948256510.db2.gz KRVUGRSUVZDCGJ-IBGZPJMESA-N 2 1 370.472 3.705 20 0 FHADMP c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001168003563 948303282 /nfs/dbraw/zinc/30/32/82/948303282.db2.gz PLADJOSLCOYEIY-CBQGHPETSA-N 2 1 364.537 3.629 20 0 FHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411355 948357379 /nfs/dbraw/zinc/35/73/79/948357379.db2.gz XMSRWMAQYLFQFV-QAPCUYQASA-N 2 1 354.922 3.890 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411355 948357383 /nfs/dbraw/zinc/35/73/83/948357383.db2.gz XMSRWMAQYLFQFV-QAPCUYQASA-N 2 1 354.922 3.890 20 0 FHADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412368 948358540 /nfs/dbraw/zinc/35/85/40/948358540.db2.gz BPTZOLUHGXQIEJ-JKSUJKDBSA-N 2 1 352.544 3.569 20 0 FHADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412368 948358546 /nfs/dbraw/zinc/35/85/46/948358546.db2.gz BPTZOLUHGXQIEJ-JKSUJKDBSA-N 2 1 352.544 3.569 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412108 948360142 /nfs/dbraw/zinc/36/01/42/948360142.db2.gz AGSYEOLVKZYVOU-RTBURBONSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412108 948360149 /nfs/dbraw/zinc/36/01/49/948360149.db2.gz AGSYEOLVKZYVOU-RTBURBONSA-N 2 1 353.510 3.900 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414215 948367087 /nfs/dbraw/zinc/36/70/87/948367087.db2.gz JWBSKYANUOGHCC-MAUKXSAKSA-N 2 1 369.347 3.991 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001167841803 948368515 /nfs/dbraw/zinc/36/85/15/948368515.db2.gz RIFSFMSSOUTIPQ-IBGZPJMESA-N 2 1 351.579 3.612 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367367 948386328 /nfs/dbraw/zinc/38/63/28/948386328.db2.gz WLXXRQMITUKXHR-IAGOWNOFSA-N 2 1 358.530 3.695 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426722 948390382 /nfs/dbraw/zinc/39/03/82/948390382.db2.gz UPMPUMUQFAFZPO-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426722 948390388 /nfs/dbraw/zinc/39/03/88/948390388.db2.gz UPMPUMUQFAFZPO-MAUKXSAKSA-N 2 1 352.906 3.644 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167842923 948395070 /nfs/dbraw/zinc/39/50/70/948395070.db2.gz ZRAJIXWVRMAEHP-KURKYZTESA-N 2 1 355.567 3.732 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428176 948395831 /nfs/dbraw/zinc/39/58/31/948395831.db2.gz IXKCIFCLEFQIDH-GJZGRUSLSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)(F)F ZINC000432428176 948395835 /nfs/dbraw/zinc/39/58/35/948395835.db2.gz IXKCIFCLEFQIDH-GJZGRUSLSA-N 2 1 360.420 3.737 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427532 948398023 /nfs/dbraw/zinc/39/80/23/948398023.db2.gz ZFTFBEWMFWJGEF-CRAIPNDOSA-N 2 1 356.457 3.830 20 0 FHADMP C[NH+](C)Cc1cnc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000512124938 948487391 /nfs/dbraw/zinc/48/73/91/948487391.db2.gz VDZFCPKECWGVFM-UHFFFAOYSA-N 2 1 372.582 3.871 20 0 FHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512130923 948506520 /nfs/dbraw/zinc/50/65/20/948506520.db2.gz PUBDYMAQKVZARL-HNNXBMFYSA-N 2 1 366.431 3.713 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512130923 948506525 /nfs/dbraw/zinc/50/65/25/948506525.db2.gz PUBDYMAQKVZARL-HNNXBMFYSA-N 2 1 366.431 3.713 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000512137590 948530594 /nfs/dbraw/zinc/53/05/94/948530594.db2.gz VQHGAXIHLIILGA-KRWDZBQOSA-N 2 1 372.582 3.869 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000512137590 948530600 /nfs/dbraw/zinc/53/06/00/948530600.db2.gz VQHGAXIHLIILGA-KRWDZBQOSA-N 2 1 372.582 3.869 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000189858630 948603929 /nfs/dbraw/zinc/60/39/29/948603929.db2.gz CSXYTICLKOQDLD-LBPRGKRZSA-N 2 1 359.367 3.748 20 0 FHADMP COCCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179898 948681266 /nfs/dbraw/zinc/68/12/66/948681266.db2.gz NBTXUSHFFKKLQC-HXUWFJFHSA-N 2 1 360.542 3.656 20 0 FHADMP COCCOc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179898 948681270 /nfs/dbraw/zinc/68/12/70/948681270.db2.gz NBTXUSHFFKKLQC-HXUWFJFHSA-N 2 1 360.542 3.656 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000512181386 948700624 /nfs/dbraw/zinc/70/06/24/948700624.db2.gz BKLIAGFSWJJCGS-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000512181386 948700627 /nfs/dbraw/zinc/70/06/27/948700627.db2.gz BKLIAGFSWJJCGS-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000046279375 208363829 /nfs/dbraw/zinc/36/38/29/208363829.db2.gz TUMNROZJTNAWDY-QGZVFWFLSA-N 2 1 371.529 3.907 20 0 FHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000221925187 567990068 /nfs/dbraw/zinc/99/00/68/567990068.db2.gz WPTSZSHYOCGSKY-CYBMUJFWSA-N 2 1 360.283 3.672 20 0 FHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000221925187 567990069 /nfs/dbraw/zinc/99/00/69/567990069.db2.gz WPTSZSHYOCGSKY-CYBMUJFWSA-N 2 1 360.283 3.672 20 0 FHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1)CC(C)C ZINC000602797976 568035792 /nfs/dbraw/zinc/03/57/92/568035792.db2.gz DVOORPNQRDXSCB-INIZCTEOSA-N 2 1 365.518 3.602 20 0 FHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1)CC(C)C ZINC000602797976 568035793 /nfs/dbraw/zinc/03/57/93/568035793.db2.gz DVOORPNQRDXSCB-INIZCTEOSA-N 2 1 365.518 3.602 20 0 FHADMP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000604414991 568279674 /nfs/dbraw/zinc/27/96/74/568279674.db2.gz ZXGLNCNXRCLYRH-NRFANRHFSA-N 2 1 373.516 3.756 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604774294 568363972 /nfs/dbraw/zinc/36/39/72/568363972.db2.gz NXRHDATXELPIDQ-RHSMWYFYSA-N 2 1 353.938 3.931 20 0 FHADMP C[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000604885431 568380772 /nfs/dbraw/zinc/38/07/72/568380772.db2.gz PCGGLEHPGXSMEV-NRFANRHFSA-N 2 1 351.538 3.540 20 0 FHADMP CCCn1cc(CN[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000604891391 568381856 /nfs/dbraw/zinc/38/18/56/568381856.db2.gz BHQSVVSMNGYRGC-OAQYLSRUSA-N 2 1 354.542 3.856 20 0 FHADMP CCCn1cc(CN[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000604891391 568381857 /nfs/dbraw/zinc/38/18/57/568381857.db2.gz BHQSVVSMNGYRGC-OAQYLSRUSA-N 2 1 354.542 3.856 20 0 FHADMP Cc1noc(C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc2)n1 ZINC000365288601 568415399 /nfs/dbraw/zinc/41/53/99/568415399.db2.gz BUYPSJVWBSHRQV-FQEVSTJZSA-N 2 1 354.498 3.658 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820697935 607013845 /nfs/dbraw/zinc/01/38/45/607013845.db2.gz OEAGPGXBFLGXOB-QINHECLXSA-N 2 1 368.529 3.560 20 0 FHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000583135045 937157052 /nfs/dbraw/zinc/15/70/52/937157052.db2.gz JMIHWKQVNLEDME-QZTJIDSGSA-N 2 1 358.448 3.899 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3C(C)(C)CC)CC2)CC1 ZINC000654939140 927628968 /nfs/dbraw/zinc/62/89/68/927628968.db2.gz WHWLTDYHOKCUFR-FQEVSTJZSA-N 2 1 363.590 3.610 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510078211 927823143 /nfs/dbraw/zinc/82/31/43/927823143.db2.gz YIHRZOJGNAFPDL-UXHICEINSA-N 2 1 359.558 3.570 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)CC(C)(C)C)CC2)C1 ZINC001208665952 928378423 /nfs/dbraw/zinc/37/84/23/928378423.db2.gz SUHSFOHJZMVUOR-ZWKOTPCHSA-N 2 1 352.563 3.798 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154477646 928859439 /nfs/dbraw/zinc/85/94/39/928859439.db2.gz JYENRDZTQAGRQZ-INIZCTEOSA-N 2 1 353.551 3.616 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000179678756 928931035 /nfs/dbraw/zinc/93/10/35/928931035.db2.gz AQRGRVFRYRHCMT-UHFFFAOYSA-N 2 1 361.555 3.867 20 0 FHADMP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274978093 929095344 /nfs/dbraw/zinc/09/53/44/929095344.db2.gz YYKBHOAFCWHVGH-VJBMBRPKSA-N 2 1 352.522 3.653 20 0 FHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CCc4ccccc4C3)c2C1 ZINC000134781591 929238119 /nfs/dbraw/zinc/23/81/19/929238119.db2.gz PQSZMWHKYWQBGX-QGZVFWFLSA-N 2 1 363.505 3.798 20 0 FHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CCc4ccccc4C3)c2C1 ZINC000134781591 929238125 /nfs/dbraw/zinc/23/81/25/929238125.db2.gz PQSZMWHKYWQBGX-QGZVFWFLSA-N 2 1 363.505 3.798 20 0 FHADMP Cn1cc([C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2cccc(F)c2)cn1 ZINC000180011347 929308417 /nfs/dbraw/zinc/30/84/17/929308417.db2.gz LAFKUVCVHDMTTE-NRFANRHFSA-N 2 1 352.457 3.500 20 0 FHADMP Cn1cc([C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)c2cccc(F)c2)cn1 ZINC000180011331 929309274 /nfs/dbraw/zinc/30/92/74/929309274.db2.gz LAFKUVCVHDMTTE-OAQYLSRUSA-N 2 1 352.457 3.500 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515751 929536151 /nfs/dbraw/zinc/53/61/51/929536151.db2.gz JLCSZGMNMIYMPW-OAQYLSRUSA-N 2 1 374.475 3.881 20 0 FHADMP Fc1cccc(Oc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000657750818 937347493 /nfs/dbraw/zinc/34/74/93/937347493.db2.gz DIYATCIBGWGKCJ-FQEVSTJZSA-N 2 1 370.468 3.961 20 0 FHADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000275661660 929766144 /nfs/dbraw/zinc/76/61/44/929766144.db2.gz OCPWEJYOVZHBIH-PKOBYXMFSA-N 2 1 372.557 3.565 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000123694225 930095454 /nfs/dbraw/zinc/09/54/54/930095454.db2.gz WWZMNWBFZVNBBQ-AZUAARDMSA-N 2 1 369.475 3.703 20 0 FHADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(Br)c1 ZINC000566501091 937388955 /nfs/dbraw/zinc/38/89/55/937388955.db2.gz VEBTWZMNFQLINJ-RBSFLKMASA-N 2 1 354.336 3.863 20 0 FHADMP COC1CC[NH+](CCNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000080250106 937398772 /nfs/dbraw/zinc/39/87/72/937398772.db2.gz FXARXGQUTMGGPQ-UHFFFAOYSA-N 2 1 364.287 3.520 20 0 FHADMP CCn1c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc2ccccc21 ZINC000580169003 930328608 /nfs/dbraw/zinc/32/86/08/930328608.db2.gz JZXSLUFMKKXZAY-PKOBYXMFSA-N 2 1 366.484 3.678 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000580179418 930336599 /nfs/dbraw/zinc/33/65/99/930336599.db2.gz OVHBNSFINOOMEP-UHFFFAOYSA-N 2 1 351.498 3.758 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000580179418 930336603 /nfs/dbraw/zinc/33/66/03/930336603.db2.gz OVHBNSFINOOMEP-UHFFFAOYSA-N 2 1 351.498 3.758 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000379631838 930483663 /nfs/dbraw/zinc/48/36/63/930483663.db2.gz MEWIFLQWCOCIQL-VQIMIIECSA-N 2 1 370.468 3.755 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000379631838 930483670 /nfs/dbraw/zinc/48/36/70/930483670.db2.gz MEWIFLQWCOCIQL-VQIMIIECSA-N 2 1 370.468 3.755 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314538 930485859 /nfs/dbraw/zinc/48/58/59/930485859.db2.gz YHEMYLBEWZVHLL-LPHOPBHVSA-N 2 1 372.475 3.711 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314540 930486226 /nfs/dbraw/zinc/48/62/26/930486226.db2.gz YHEMYLBEWZVHLL-VQIMIIECSA-N 2 1 372.475 3.711 20 0 FHADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838268 930641430 /nfs/dbraw/zinc/64/14/30/930641430.db2.gz DZSSXLSVQAQJJW-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838268 930641432 /nfs/dbraw/zinc/64/14/32/930641432.db2.gz DZSSXLSVQAQJJW-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838268 930641441 /nfs/dbraw/zinc/64/14/41/930641441.db2.gz DZSSXLSVQAQJJW-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838268 930641444 /nfs/dbraw/zinc/64/14/44/930641444.db2.gz DZSSXLSVQAQJJW-RTWAWAEBSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485010 930644951 /nfs/dbraw/zinc/64/49/51/930644951.db2.gz QTKNEIDOVYDDCB-KRWDZBQOSA-N 2 1 354.494 3.754 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485010 930644953 /nfs/dbraw/zinc/64/49/53/930644953.db2.gz QTKNEIDOVYDDCB-KRWDZBQOSA-N 2 1 354.494 3.754 20 0 FHADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000580573961 930867768 /nfs/dbraw/zinc/86/77/68/930867768.db2.gz UXGYUSWBIWCXAH-NRFANRHFSA-N 2 1 352.478 3.687 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000047978676 930969354 /nfs/dbraw/zinc/96/93/54/930969354.db2.gz BMQXZTDYYQXMJL-UHFFFAOYSA-N 2 1 351.922 3.641 20 0 FHADMP c1ccc(C[C@@H]2CC[N@@H+]2C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326157 /nfs/dbraw/zinc/32/61/57/931326157.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@@H]2CCN2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326161 /nfs/dbraw/zinc/32/61/61/931326161.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@@H]2CCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326166 /nfs/dbraw/zinc/32/61/66/931326166.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 1 350.506 3.595 20 0 FHADMP COCCc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000631140548 931406798 /nfs/dbraw/zinc/40/67/98/931406798.db2.gz ONIKTHUDUKFCLN-IBGZPJMESA-N 2 1 373.566 3.724 20 0 FHADMP COCCc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631140548 931406814 /nfs/dbraw/zinc/40/68/14/931406814.db2.gz ONIKTHUDUKFCLN-IBGZPJMESA-N 2 1 373.566 3.724 20 0 FHADMP Cc1nc2c(c(N(C)C3CCN(CCC(F)(F)F)CC3)n1)CCCC2 ZINC000581053022 931527455 /nfs/dbraw/zinc/52/74/55/931527455.db2.gz WGQDDHGPCMTIFO-UHFFFAOYSA-N 2 1 356.436 3.517 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581101196 931565656 /nfs/dbraw/zinc/56/56/56/931565656.db2.gz WSTRPHHLNHOKBA-GOTSBHOMSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581101196 931565662 /nfs/dbraw/zinc/56/56/62/931565662.db2.gz WSTRPHHLNHOKBA-GOTSBHOMSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581101196 931565667 /nfs/dbraw/zinc/56/56/67/931565667.db2.gz WSTRPHHLNHOKBA-GOTSBHOMSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581101196 931565670 /nfs/dbraw/zinc/56/56/70/931565670.db2.gz WSTRPHHLNHOKBA-GOTSBHOMSA-N 2 1 372.516 3.826 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559200 931844812 /nfs/dbraw/zinc/84/48/12/931844812.db2.gz ZYZFBNVRRAVGRC-MJGOQNOKSA-N 2 1 351.494 3.741 20 0 FHADMP COCCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092067006 932027159 /nfs/dbraw/zinc/02/71/59/932027159.db2.gz JUHUVTZMZWPAOA-KNQAVFIVSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092067006 932027167 /nfs/dbraw/zinc/02/71/67/932027167.db2.gz JUHUVTZMZWPAOA-KNQAVFIVSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092067006 932027175 /nfs/dbraw/zinc/02/71/75/932027175.db2.gz JUHUVTZMZWPAOA-KNQAVFIVSA-N 2 1 358.526 3.551 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000656537886 932030010 /nfs/dbraw/zinc/03/00/10/932030010.db2.gz IILLATISGUFMSB-BHDDXSALSA-N 2 1 362.521 3.744 20 0 FHADMP C[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625653061 932371892 /nfs/dbraw/zinc/37/18/92/932371892.db2.gz HFMZHBVWKFGLFT-CRNKYXIYSA-N 2 1 350.444 3.989 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000656783856 932419815 /nfs/dbraw/zinc/41/98/15/932419815.db2.gz VLVAUYNMXLRWHP-IBGZPJMESA-N 2 1 352.526 3.607 20 0 FHADMP c1sc(COc2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784794 932420113 /nfs/dbraw/zinc/42/01/13/932420113.db2.gz HJSQWTYPFLTULX-SFHVURJKSA-N 2 1 371.550 3.934 20 0 FHADMP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000656792247 932425050 /nfs/dbraw/zinc/42/50/50/932425050.db2.gz SCQWVHDIAQIHFM-JOCHJYFZSA-N 2 1 353.485 3.692 20 0 FHADMP COc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656786773 932426043 /nfs/dbraw/zinc/42/60/43/932426043.db2.gz XMWLNFUDBRJAFE-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000625832082 932488435 /nfs/dbraw/zinc/48/84/35/932488435.db2.gz BKNHACFEHBITEC-AZUAARDMSA-N 2 1 358.530 3.713 20 0 FHADMP CC[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000581782046 932670676 /nfs/dbraw/zinc/67/06/76/932670676.db2.gz OLOFEDMHBIFJQZ-QHAWAJNXSA-N 2 1 374.569 3.770 20 0 FHADMP CC[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000581782046 932670681 /nfs/dbraw/zinc/67/06/81/932670681.db2.gz OLOFEDMHBIFJQZ-QHAWAJNXSA-N 2 1 374.569 3.770 20 0 FHADMP Cc1ccsc1[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647189800 932830730 /nfs/dbraw/zinc/83/07/30/932830730.db2.gz PXELOUGVEXRCLR-MOPGFXCFSA-N 2 1 356.535 3.877 20 0 FHADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647189800 932830737 /nfs/dbraw/zinc/83/07/37/932830737.db2.gz PXELOUGVEXRCLR-MOPGFXCFSA-N 2 1 356.535 3.877 20 0 FHADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647189800 932830741 /nfs/dbraw/zinc/83/07/41/932830741.db2.gz PXELOUGVEXRCLR-MOPGFXCFSA-N 2 1 356.535 3.877 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3SC)CC2)CC1 ZINC000581892877 932896266 /nfs/dbraw/zinc/89/62/66/932896266.db2.gz ZPVQTQYCGOUTPY-UHFFFAOYSA-N 2 1 361.555 3.543 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000581943309 933091255 /nfs/dbraw/zinc/09/12/55/933091255.db2.gz AGPSTUHCKASACY-IRXDYDNUSA-N 2 1 369.896 3.634 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000581943309 933091265 /nfs/dbraw/zinc/09/12/65/933091265.db2.gz AGPSTUHCKASACY-IRXDYDNUSA-N 2 1 369.896 3.634 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851117 933136706 /nfs/dbraw/zinc/13/67/06/933136706.db2.gz PDLRISLVZCWPRD-ROUUACIJSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851117 933136710 /nfs/dbraw/zinc/13/67/10/933136710.db2.gz PDLRISLVZCWPRD-ROUUACIJSA-N 2 1 366.465 3.502 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000610575118 933156911 /nfs/dbraw/zinc/15/69/11/933156911.db2.gz DIILVJSGGYORBJ-RUZDIDTESA-N 2 1 358.551 3.672 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000610575118 933156913 /nfs/dbraw/zinc/15/69/13/933156913.db2.gz DIILVJSGGYORBJ-RUZDIDTESA-N 2 1 358.551 3.672 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000430721000 933170821 /nfs/dbraw/zinc/17/08/21/933170821.db2.gz APADZUOTYUNFIB-PSWRPDDJSA-N 2 1 371.569 3.796 20 0 FHADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000430742143 933193022 /nfs/dbraw/zinc/19/30/22/933193022.db2.gz NUXJVOQJVGJWAY-RFQIGKHKSA-N 2 1 369.553 3.596 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510674983 933397668 /nfs/dbraw/zinc/39/76/68/933397668.db2.gz LMGSLRXVWKAVTQ-ZACQAIPSSA-N 2 1 354.485 3.765 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994560 933697665 /nfs/dbraw/zinc/69/76/65/933697665.db2.gz CZKCVLOECHXGCO-HKUYNNGSSA-N 2 1 372.475 3.566 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cn3)CC2)cs1 ZINC000092748385 934059424 /nfs/dbraw/zinc/05/94/24/934059424.db2.gz FMQUNEQSDBXYNI-AWEZNQCLSA-N 2 1 362.518 3.802 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561412 934093788 /nfs/dbraw/zinc/09/37/88/934093788.db2.gz SFFJFTAADBVQGQ-LMDPOFIKSA-N 2 1 352.563 3.989 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380427423 934137565 /nfs/dbraw/zinc/13/75/65/934137565.db2.gz JJERJVOOZQIRIG-QFBILLFUSA-N 2 1 370.468 3.613 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844575 934180047 /nfs/dbraw/zinc/18/00/47/934180047.db2.gz RDZWHNLXYWFNCP-SFHVURJKSA-N 2 1 367.541 3.948 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC(F)F)c1 ZINC000535811319 934401941 /nfs/dbraw/zinc/40/19/41/934401941.db2.gz CUIOOZVZEDISDH-UHFFFAOYSA-N 2 1 356.457 3.849 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000277000441 934432924 /nfs/dbraw/zinc/43/29/24/934432924.db2.gz YZACIPIGHMLYIV-QGZVFWFLSA-N 2 1 355.530 3.697 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000277000441 934432926 /nfs/dbraw/zinc/43/29/26/934432926.db2.gz YZACIPIGHMLYIV-QGZVFWFLSA-N 2 1 355.530 3.697 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510987589 934462750 /nfs/dbraw/zinc/46/27/50/934462750.db2.gz SRDNWYMFEOAIJH-YUXAGFNASA-N 2 1 350.506 3.880 20 0 FHADMP CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000657293530 934980027 /nfs/dbraw/zinc/98/00/27/934980027.db2.gz PVQHZAFGLSRHDW-UHFFFAOYSA-N 2 1 368.521 3.906 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(Br)c1 ZINC000511033932 934983743 /nfs/dbraw/zinc/98/37/43/934983743.db2.gz BXFBAIOYHGZKRW-GFCCVEGCSA-N 2 1 352.276 3.704 20 0 FHADMP C[N@H+](CCOc1ccccc1Br)CC[C@H]1CCCC[NH+]1C ZINC001167510217 935040037 /nfs/dbraw/zinc/04/00/37/935040037.db2.gz VHMBTJAVISGXNB-OAHLLOKOSA-N 2 1 355.320 3.634 20 0 FHADMP C[N@@H+](CCOc1ccccc1Br)CC[C@H]1CCCC[NH+]1C ZINC001167510217 935040042 /nfs/dbraw/zinc/04/00/42/935040042.db2.gz VHMBTJAVISGXNB-OAHLLOKOSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1ccccc1Br)CC[C@H]1CCCC[N@@H+]1C ZINC001167510217 935040048 /nfs/dbraw/zinc/04/00/48/935040048.db2.gz VHMBTJAVISGXNB-OAHLLOKOSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1ccccc1Br)CC[C@H]1CCCC[N@H+]1C ZINC001167510217 935040054 /nfs/dbraw/zinc/04/00/54/935040054.db2.gz VHMBTJAVISGXNB-OAHLLOKOSA-N 2 1 355.320 3.634 20 0 FHADMP Cc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)sc1C(C)(C)C ZINC001167536415 935148169 /nfs/dbraw/zinc/14/81/69/935148169.db2.gz YZBBQKSRWXRMJS-UHFFFAOYSA-N 2 1 365.587 3.826 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC001167543908 935186784 /nfs/dbraw/zinc/18/67/84/935186784.db2.gz GLWQOENRMVOXRI-OAQYLSRUSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC001167543908 935186785 /nfs/dbraw/zinc/18/67/85/935186785.db2.gz GLWQOENRMVOXRI-OAQYLSRUSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC001167543908 935186786 /nfs/dbraw/zinc/18/67/86/935186786.db2.gz GLWQOENRMVOXRI-OAQYLSRUSA-N 2 1 371.569 3.540 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(c3ccccn3)C2)CC1 ZINC000438826348 945083746 /nfs/dbraw/zinc/08/37/46/945083746.db2.gz MONPHDLYWLRHIY-ORFBVSJDSA-N 2 1 364.537 3.693 20 0 FHADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nnn1C1CCC1 ZINC000657337233 935260847 /nfs/dbraw/zinc/26/08/47/935260847.db2.gz NFJPNNVFBNHSDR-UHFFFAOYSA-N 2 1 353.514 3.669 20 0 FHADMP C[C@@H]1CSCCC[N@H+]1Cc1cncc(C[NH+]2CCCSC[C@@H]2C)c1 ZINC000934297138 935286540 /nfs/dbraw/zinc/28/65/40/935286540.db2.gz AKFSMFMTYBKUDZ-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H]1CSCCC[NH+]1Cc1cncc(C[N@@H+]2CCCSC[C@@H]2C)c1 ZINC000934297138 935286543 /nfs/dbraw/zinc/28/65/43/935286543.db2.gz AKFSMFMTYBKUDZ-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H]1CSCCC[NH+]1Cc1cncc(C[N@H+]2CCCSC[C@@H]2C)c1 ZINC000934297138 935286551 /nfs/dbraw/zinc/28/65/51/935286551.db2.gz AKFSMFMTYBKUDZ-CALCHBBNSA-N 2 1 365.612 3.736 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+][C@H](CN3CC[NH+](C)CC3)c3ccccc3)cc21 ZINC000657344789 935297605 /nfs/dbraw/zinc/29/76/05/935297605.db2.gz DGIASCHNDFQGBC-HSZRJFAPSA-N 2 1 362.521 3.555 20 0 FHADMP c1c2ccncc2sc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657351327 935316007 /nfs/dbraw/zinc/31/60/07/935316007.db2.gz CKLPVHDIYHRGGN-GOSISDBHSA-N 2 1 351.519 3.951 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C)CCCCCC3)CC2)CC1 ZINC000516662627 945092432 /nfs/dbraw/zinc/09/24/32/945092432.db2.gz XLZVDVHHUCXYKG-UHFFFAOYSA-N 2 1 363.590 3.659 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000563276493 935378997 /nfs/dbraw/zinc/37/89/97/935378997.db2.gz ZCQJNPOUUZNLGO-QGZVFWFLSA-N 2 1 360.420 3.737 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268207 935470475 /nfs/dbraw/zinc/47/04/75/935470475.db2.gz CNKSELKMSORUGJ-QZTJIDSGSA-N 2 1 372.475 3.637 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268207 935470479 /nfs/dbraw/zinc/47/04/79/935470479.db2.gz CNKSELKMSORUGJ-QZTJIDSGSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268207 935470480 /nfs/dbraw/zinc/47/04/80/935470480.db2.gz CNKSELKMSORUGJ-QZTJIDSGSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000582268207 935470482 /nfs/dbraw/zinc/47/04/82/935470482.db2.gz CNKSELKMSORUGJ-QZTJIDSGSA-N 2 1 372.475 3.637 20 0 FHADMP CCOc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000657390323 935507590 /nfs/dbraw/zinc/50/75/90/935507590.db2.gz WJWMGAMFPQHFHI-UHFFFAOYSA-N 2 1 354.498 3.559 20 0 FHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1OC(C)C ZINC000647248536 935547214 /nfs/dbraw/zinc/54/72/14/935547214.db2.gz GURUBXFGFGNHBW-RTWAWAEBSA-N 2 1 368.521 3.917 20 0 FHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1OC(C)C ZINC000647248536 935547224 /nfs/dbraw/zinc/54/72/24/935547224.db2.gz GURUBXFGFGNHBW-RTWAWAEBSA-N 2 1 368.521 3.917 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415632 935640301 /nfs/dbraw/zinc/64/03/01/935640301.db2.gz NEHVJALQWJXMDB-PKOBYXMFSA-N 2 1 352.526 3.688 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643138 945113818 /nfs/dbraw/zinc/11/38/18/945113818.db2.gz NAHCBPDAMPNQLG-MRXNPFEDSA-N 2 1 356.297 3.944 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643138 945113824 /nfs/dbraw/zinc/11/38/24/945113824.db2.gz NAHCBPDAMPNQLG-MRXNPFEDSA-N 2 1 356.297 3.944 20 0 FHADMP CN(C)C(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000072895396 935658999 /nfs/dbraw/zinc/65/89/99/935658999.db2.gz UXIPJHXFQXPSPY-JOCHJYFZSA-N 2 1 365.521 3.592 20 0 FHADMP C[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000237109806 935751378 /nfs/dbraw/zinc/75/13/78/935751378.db2.gz NRUAWRLTGYASSV-AWEZNQCLSA-N 2 1 370.337 3.742 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000511149909 935800762 /nfs/dbraw/zinc/80/07/62/935800762.db2.gz KWWZCKJMYKOQOB-UHFFFAOYSA-N 2 1 350.478 3.556 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000657452843 935809896 /nfs/dbraw/zinc/80/98/96/935809896.db2.gz KPDBLYTUOPFTSC-UGKGYDQZSA-N 2 1 368.521 3.712 20 0 FHADMP CC(C)(C)c1ncc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698201 935954121 /nfs/dbraw/zinc/95/41/21/935954121.db2.gz XOYXNQPJNGHQGU-SFTDATJTSA-N 2 1 364.537 3.728 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100979 935961679 /nfs/dbraw/zinc/96/16/79/935961679.db2.gz DSSJQUGSZTZWRZ-KRWDZBQOSA-N 2 1 356.297 3.992 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)cc2)C1 ZINC000657598063 936080594 /nfs/dbraw/zinc/08/05/94/936080594.db2.gz XQGIUIIBNMWYHM-XMMPIXPASA-N 2 1 373.500 3.605 20 0 FHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)CC2)cc1 ZINC000657655499 936169048 /nfs/dbraw/zinc/16/90/48/936169048.db2.gz WCJLGQFLAYJTSX-GMAHTHKFSA-N 2 1 350.506 3.813 20 0 FHADMP Brc1ccc(CC2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660774 936182276 /nfs/dbraw/zinc/18/22/76/936182276.db2.gz RBWHIUAZIGRKJY-ROUUACIJSA-N 2 1 363.343 3.988 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000611728277 936222637 /nfs/dbraw/zinc/22/26/37/936222637.db2.gz JXJYIRHDBMZFPI-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000472270984 936261372 /nfs/dbraw/zinc/26/13/72/936261372.db2.gz ANVGGFGCIYAZEI-MRXNPFEDSA-N 2 1 363.527 3.644 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000472270984 936261379 /nfs/dbraw/zinc/26/13/79/936261379.db2.gz ANVGGFGCIYAZEI-MRXNPFEDSA-N 2 1 363.527 3.644 20 0 FHADMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000582932304 936299057 /nfs/dbraw/zinc/29/90/57/936299057.db2.gz ZLNGYTIHTCCPAV-UHFFFAOYSA-N 2 1 352.478 3.554 20 0 FHADMP C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000582932304 936299059 /nfs/dbraw/zinc/29/90/59/936299059.db2.gz ZLNGYTIHTCCPAV-UHFFFAOYSA-N 2 1 352.478 3.554 20 0 FHADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080338708 938249321 /nfs/dbraw/zinc/24/93/21/938249321.db2.gz WZSGQJBBOYHKSP-UGKGYDQZSA-N 2 1 368.521 3.855 20 0 FHADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080338708 938249322 /nfs/dbraw/zinc/24/93/22/938249322.db2.gz WZSGQJBBOYHKSP-UGKGYDQZSA-N 2 1 368.521 3.855 20 0 FHADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705325 938282871 /nfs/dbraw/zinc/28/28/71/938282871.db2.gz DLZLWELYHIFQMA-NPPFBWRTSA-N 2 1 354.494 3.567 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(C)c1OC(F)F ZINC000650705796 938284201 /nfs/dbraw/zinc/28/42/01/938284201.db2.gz WCUZRDUDZSJODZ-OKZBNKHCSA-N 2 1 368.468 3.623 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706123 938285178 /nfs/dbraw/zinc/28/51/78/938285178.db2.gz DRCFECWOAAZQDI-MJEQTWJJSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706210 938285318 /nfs/dbraw/zinc/28/53/18/938285318.db2.gz GNJPHGKZEINCFW-IPELMVKDSA-N 2 1 359.901 3.607 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706355 938285896 /nfs/dbraw/zinc/28/58/96/938285896.db2.gz JCBXYCGDSLZROL-YLQAJVPDSA-N 2 1 373.324 3.720 20 0 FHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706741 938286687 /nfs/dbraw/zinc/28/66/87/938286687.db2.gz RRCCFQPOLNMRHN-CMKODMSKSA-N 2 1 371.550 3.837 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707431 938289568 /nfs/dbraw/zinc/28/95/68/938289568.db2.gz GCWUBKWUFUJZQN-KHYOSLBOSA-N 2 1 354.897 3.630 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292054 938301967 /nfs/dbraw/zinc/30/19/67/938301967.db2.gz KQYQISUJFQVTAQ-HKUYNNGSSA-N 2 1 357.498 3.835 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299406 938307779 /nfs/dbraw/zinc/30/77/79/938307779.db2.gz FADWLIGYFHTYRP-VXKWHMMOSA-N 2 1 353.510 3.525 20 0 FHADMP COc1cc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000650723441 938310699 /nfs/dbraw/zinc/31/06/99/938310699.db2.gz NQZDAOMLABRQTP-FDQGKXFDSA-N 2 1 373.324 3.863 20 0 FHADMP COc1cc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000650723441 938310700 /nfs/dbraw/zinc/31/07/00/938310700.db2.gz NQZDAOMLABRQTP-FDQGKXFDSA-N 2 1 373.324 3.863 20 0 FHADMP Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724034 938311185 /nfs/dbraw/zinc/31/11/85/938311185.db2.gz XKNFJBIDGRZTTH-KURKYZTESA-N 2 1 367.331 3.618 20 0 FHADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657773844 938318950 /nfs/dbraw/zinc/31/89/50/938318950.db2.gz URTNIDPQMIENRG-OAQYLSRUSA-N 2 1 352.526 3.856 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000728572174 938332129 /nfs/dbraw/zinc/33/21/29/938332129.db2.gz UDLPJIXBIPJNEK-GOSISDBHSA-N 2 1 369.347 3.535 20 0 FHADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665592 938349410 /nfs/dbraw/zinc/34/94/10/938349410.db2.gz FGMVTQMSXLEIMI-YADHBBJMSA-N 2 1 371.569 3.606 20 0 FHADMP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc1 ZINC000583689009 938361928 /nfs/dbraw/zinc/36/19/28/938361928.db2.gz OKTPWTDFWJRNEN-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000151125388 938385628 /nfs/dbraw/zinc/38/56/28/938385628.db2.gz SBWYCBMVTJZNHY-ZBEGNZNMSA-N 2 1 355.345 3.916 20 0 FHADMP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)[C@H]21 ZINC000657790727 938387754 /nfs/dbraw/zinc/38/77/54/938387754.db2.gz ZGEHDCYFROQDRD-YTFSRNRJSA-N 2 1 350.481 3.761 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3c(C)cccn23)CC1)CC1CC1 ZINC000536140810 938439280 /nfs/dbraw/zinc/43/92/80/938439280.db2.gz LRSWOJODJOHQMW-UHFFFAOYSA-N 2 1 354.542 3.977 20 0 FHADMP Cc1csc(N2CCC([NH2+]CCCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000157858666 938443681 /nfs/dbraw/zinc/44/36/81/938443681.db2.gz ZLCHILOXXUWVHN-QGZVFWFLSA-N 2 1 350.576 3.665 20 0 FHADMP COCc1cc(C[NH2+]C2CCN(CCc3ccccc3)CC2)ccc1F ZINC000151190543 938465125 /nfs/dbraw/zinc/46/51/25/938465125.db2.gz MZIXODNSUCNCSX-UHFFFAOYSA-N 2 1 356.485 3.769 20 0 FHADMP COCc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1F ZINC000151190543 938465127 /nfs/dbraw/zinc/46/51/27/938465127.db2.gz MZIXODNSUCNCSX-UHFFFAOYSA-N 2 1 356.485 3.769 20 0 FHADMP Cc1ccc(OCCC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000060368505 945177201 /nfs/dbraw/zinc/17/72/01/945177201.db2.gz SQHARHRLQWFQPC-OYRHEFFESA-N 2 1 374.569 3.894 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000536158662 938478351 /nfs/dbraw/zinc/47/83/51/938478351.db2.gz PKOPIGNYCWQOTP-WIYYLYMNSA-N 2 1 362.533 3.875 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000583922393 938487620 /nfs/dbraw/zinc/48/76/20/938487620.db2.gz PAUGLSPOTUTOEA-OUFMZXHOSA-N 2 1 352.522 3.966 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000583922393 938487621 /nfs/dbraw/zinc/48/76/21/938487621.db2.gz PAUGLSPOTUTOEA-OUFMZXHOSA-N 2 1 352.522 3.966 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362789 945182227 /nfs/dbraw/zinc/18/22/27/945182227.db2.gz ROAGOFPCBUQMGC-FQEVSTJZSA-N 2 1 362.558 3.528 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362789 945182233 /nfs/dbraw/zinc/18/22/33/945182233.db2.gz ROAGOFPCBUQMGC-FQEVSTJZSA-N 2 1 362.558 3.528 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000151356096 938533383 /nfs/dbraw/zinc/53/33/83/938533383.db2.gz BEJALBAYRAIASR-JOCHJYFZSA-N 2 1 374.475 3.685 20 0 FHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(c1ccccc1)c1ccccc1 ZINC000151372496 938537081 /nfs/dbraw/zinc/53/70/81/938537081.db2.gz VIGBRWMYMXPGEF-IBGZPJMESA-N 2 1 352.522 3.643 20 0 FHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000584220431 938644288 /nfs/dbraw/zinc/64/42/88/938644288.db2.gz PRIOPOSPKHZBCE-OALUTQOASA-N 2 1 370.884 3.510 20 0 FHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000584220431 938644289 /nfs/dbraw/zinc/64/42/89/938644289.db2.gz PRIOPOSPKHZBCE-OALUTQOASA-N 2 1 370.884 3.510 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000584255833 938661216 /nfs/dbraw/zinc/66/12/16/938661216.db2.gz YUBLXUZRMPCKLY-LIRRHRJNSA-N 2 1 351.425 3.974 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000584290753 938672936 /nfs/dbraw/zinc/67/29/36/938672936.db2.gz CXPYGRCVUXOEPG-HXUWFJFHSA-N 2 1 364.489 3.745 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000584290753 938672940 /nfs/dbraw/zinc/67/29/40/938672940.db2.gz CXPYGRCVUXOEPG-HXUWFJFHSA-N 2 1 364.489 3.745 20 0 FHADMP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC1CC1 ZINC000628190302 938702152 /nfs/dbraw/zinc/70/21/52/938702152.db2.gz BBQLFCLPMXGPNX-FXAWDEMLSA-N 2 1 356.510 3.685 20 0 FHADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC1CC1 ZINC000628190302 938702154 /nfs/dbraw/zinc/70/21/54/938702154.db2.gz BBQLFCLPMXGPNX-FXAWDEMLSA-N 2 1 356.510 3.685 20 0 FHADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC1CC1 ZINC000628190302 938702156 /nfs/dbraw/zinc/70/21/56/938702156.db2.gz BBQLFCLPMXGPNX-FXAWDEMLSA-N 2 1 356.510 3.685 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853085 938805914 /nfs/dbraw/zinc/80/59/14/938805914.db2.gz ZBQYHJULBCUDSH-SJORKVTESA-N 2 1 365.477 3.899 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853085 938805916 /nfs/dbraw/zinc/80/59/16/938805916.db2.gz ZBQYHJULBCUDSH-SJORKVTESA-N 2 1 365.477 3.899 20 0 FHADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278761045 938822345 /nfs/dbraw/zinc/82/23/45/938822345.db2.gz BOIVLWCJRIZHGL-UHFFFAOYSA-N 2 1 366.509 3.736 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666744 938862643 /nfs/dbraw/zinc/86/26/43/938862643.db2.gz ZYESLCLQTNUCME-SIKLNZKXSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666744 938862645 /nfs/dbraw/zinc/86/26/45/938862645.db2.gz ZYESLCLQTNUCME-SIKLNZKXSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000090708788 938881869 /nfs/dbraw/zinc/88/18/69/938881869.db2.gz WXCIMJSATJOPJU-BVFWVQIHSA-N 2 1 370.562 3.985 20 0 FHADMP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090727455 938882294 /nfs/dbraw/zinc/88/22/94/938882294.db2.gz AASBPQFTVRAUDQ-HNNXBMFYSA-N 2 1 359.489 3.831 20 0 FHADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091306490 938899672 /nfs/dbraw/zinc/89/96/72/938899672.db2.gz FCGKKAVDFOGXNB-SFHVURJKSA-N 2 1 358.448 3.839 20 0 FHADMP COCc1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821623 938921921 /nfs/dbraw/zinc/92/19/21/938921921.db2.gz LFRKRFPJQJPPAQ-UHFFFAOYSA-N 2 1 353.510 3.967 20 0 FHADMP CCC[N@H+](Cc1cnc(CC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417518 938933551 /nfs/dbraw/zinc/93/35/51/938933551.db2.gz OWSSDVGDIWIQDE-UHFFFAOYSA-N 2 1 373.570 3.993 20 0 FHADMP CCC[N@@H+](Cc1cnc(CC)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417518 938933553 /nfs/dbraw/zinc/93/35/53/938933553.db2.gz OWSSDVGDIWIQDE-UHFFFAOYSA-N 2 1 373.570 3.993 20 0 FHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657871968 938958189 /nfs/dbraw/zinc/95/81/89/938958189.db2.gz LMUBZEUWNGMVAK-IBGZPJMESA-N 2 1 371.491 3.644 20 0 FHADMP CCN(CC)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685325565 938974034 /nfs/dbraw/zinc/97/40/34/938974034.db2.gz JHYNSHJHXNXNTE-IPQPSQTFSA-N 2 1 354.498 3.841 20 0 FHADMP CC[NH+](CC)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000685325565 938974037 /nfs/dbraw/zinc/97/40/37/938974037.db2.gz JHYNSHJHXNXNTE-IPQPSQTFSA-N 2 1 354.498 3.841 20 0 FHADMP CC[NH+](CC)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685325565 938974039 /nfs/dbraw/zinc/97/40/39/938974039.db2.gz JHYNSHJHXNXNTE-IPQPSQTFSA-N 2 1 354.498 3.841 20 0 FHADMP CCN(CC)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685325566 938974067 /nfs/dbraw/zinc/97/40/67/938974067.db2.gz JHYNSHJHXNXNTE-XVLXNVKGSA-N 2 1 354.498 3.841 20 0 FHADMP CC[NH+](CC)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000685325566 938974068 /nfs/dbraw/zinc/97/40/68/938974068.db2.gz JHYNSHJHXNXNTE-XVLXNVKGSA-N 2 1 354.498 3.841 20 0 FHADMP CC[NH+](CC)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685325566 938974069 /nfs/dbraw/zinc/97/40/69/938974069.db2.gz JHYNSHJHXNXNTE-XVLXNVKGSA-N 2 1 354.498 3.841 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657887793 938977749 /nfs/dbraw/zinc/97/77/49/938977749.db2.gz KADFUKHMSIHOEJ-CMKODMSKSA-N 2 1 366.571 3.552 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657887793 938977751 /nfs/dbraw/zinc/97/77/51/938977751.db2.gz KADFUKHMSIHOEJ-CMKODMSKSA-N 2 1 366.571 3.552 20 0 FHADMP CN(C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428164 938985389 /nfs/dbraw/zinc/98/53/89/938985389.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428164 938985390 /nfs/dbraw/zinc/98/53/90/938985390.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 1 372.459 3.547 20 0 FHADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428164 938985391 /nfs/dbraw/zinc/98/53/91/938985391.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 1 372.459 3.547 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCc2cc(O)ccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685429411 938986454 /nfs/dbraw/zinc/98/64/54/938986454.db2.gz JPPLRZNTFLTLDA-BULFRSBZSA-N 2 1 350.506 3.750 20 0 FHADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456719 938987771 /nfs/dbraw/zinc/98/77/71/938987771.db2.gz NKTYZZGWPOROBC-UHFFFAOYSA-N 3 1 363.509 3.659 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000685458382 938988021 /nfs/dbraw/zinc/98/80/21/938988021.db2.gz AGIZNTQXQYAPQP-UHFFFAOYSA-N 2 1 366.553 3.524 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566858 939001287 /nfs/dbraw/zinc/00/12/87/939001287.db2.gz YQTJDRVHJPWPTD-YJBOKZPZSA-N 2 1 359.539 3.566 20 0 FHADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453448 939003467 /nfs/dbraw/zinc/00/34/67/939003467.db2.gz QGUZCCDAGHOKMD-QFIPXVFZSA-N 2 1 369.553 3.648 20 0 FHADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453448 939003468 /nfs/dbraw/zinc/00/34/68/939003468.db2.gz QGUZCCDAGHOKMD-QFIPXVFZSA-N 2 1 369.553 3.648 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653814 939009036 /nfs/dbraw/zinc/00/90/36/939009036.db2.gz XECVKWPPFOZJNP-UTKZUKDTSA-N 2 1 361.489 3.652 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657974574 939014931 /nfs/dbraw/zinc/01/49/31/939014931.db2.gz QSFKJCSKJAHFNF-SPEDKVCISA-N 2 1 354.494 3.544 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657974574 939014932 /nfs/dbraw/zinc/01/49/32/939014932.db2.gz QSFKJCSKJAHFNF-SPEDKVCISA-N 2 1 354.494 3.544 20 0 FHADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564157 939015733 /nfs/dbraw/zinc/01/57/33/939015733.db2.gz HOBSPNDYWZIBCI-IBGZPJMESA-N 2 1 354.498 3.536 20 0 FHADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564157 939015734 /nfs/dbraw/zinc/01/57/34/939015734.db2.gz HOBSPNDYWZIBCI-IBGZPJMESA-N 2 1 354.498 3.536 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000658002428 939018375 /nfs/dbraw/zinc/01/83/75/939018375.db2.gz CJFUMCZPJIHQMO-FGZHOGPDSA-N 2 1 374.569 3.708 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000658002428 939018376 /nfs/dbraw/zinc/01/83/76/939018376.db2.gz CJFUMCZPJIHQMO-FGZHOGPDSA-N 2 1 374.569 3.708 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658118342 939031447 /nfs/dbraw/zinc/03/14/47/939031447.db2.gz DUJZMUSPXGXTCU-IEBWSBKVSA-N 2 1 354.494 3.704 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658118342 939031451 /nfs/dbraw/zinc/03/14/51/939031451.db2.gz DUJZMUSPXGXTCU-IEBWSBKVSA-N 2 1 354.494 3.704 20 0 FHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658141481 939034816 /nfs/dbraw/zinc/03/48/16/939034816.db2.gz BMNPHESFYWAYEP-UTKZUKDTSA-N 2 1 354.494 3.503 20 0 FHADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142149 939035617 /nfs/dbraw/zinc/03/56/17/939035617.db2.gz VCFULSFEYPPMAE-DNVCBOLYSA-N 2 1 374.525 3.965 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143175 939035836 /nfs/dbraw/zinc/03/58/36/939035836.db2.gz XHKHKROPPPOUCY-IFMALSPDSA-N 2 1 354.494 3.503 20 0 FHADMP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143162 939036013 /nfs/dbraw/zinc/03/60/13/939036013.db2.gz XGAQYEVDNYLJHH-UWJYYQICSA-N 2 1 356.485 3.503 20 0 FHADMP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143160 939036035 /nfs/dbraw/zinc/03/60/35/939036035.db2.gz XGAQYEVDNYLJHH-LAUBAEHRSA-N 2 1 356.485 3.503 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3c3ccc(F)cc3)cc2)C1 ZINC000658143484 939036569 /nfs/dbraw/zinc/03/65/69/939036569.db2.gz YVNCYRIJDKEAFD-VJBWXMMDSA-N 2 1 368.496 3.818 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145299 939037634 /nfs/dbraw/zinc/03/76/34/939037634.db2.gz RKIWZZULWMAMBB-OXJNMPFZSA-N 2 1 350.462 3.850 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511828519 945224948 /nfs/dbraw/zinc/22/49/48/945224948.db2.gz YESCAEPZHVBEFG-DNVJHFABSA-N 2 1 355.570 3.671 20 0 FHADMP CC[N@@H+]1CCC[C@H]1CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000023381047 939091956 /nfs/dbraw/zinc/09/19/56/939091956.db2.gz QVSOKZDSNOHMLH-INIZCTEOSA-N 2 1 373.570 3.800 20 0 FHADMP CC[N@H+]1CCC[C@H]1CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000023381047 939091960 /nfs/dbraw/zinc/09/19/60/939091960.db2.gz QVSOKZDSNOHMLH-INIZCTEOSA-N 2 1 373.570 3.800 20 0 FHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421826537 939122897 /nfs/dbraw/zinc/12/28/97/939122897.db2.gz SWJTYHMVWLRXGD-GMAHTHKFSA-N 2 1 367.537 3.628 20 0 FHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421826537 939122901 /nfs/dbraw/zinc/12/29/01/939122901.db2.gz SWJTYHMVWLRXGD-GMAHTHKFSA-N 2 1 367.537 3.628 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1)CC(C)C ZINC000516797524 945253811 /nfs/dbraw/zinc/25/38/11/945253811.db2.gz DIAPDTUTPOPCAU-UHFFFAOYSA-N 2 1 365.606 3.713 20 0 FHADMP COc1cc2c(c(C[NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000518266171 945268816 /nfs/dbraw/zinc/26/88/16/945268816.db2.gz OLIORRCDEPWJCP-KSZLIROESA-N 2 1 360.542 3.866 20 0 FHADMP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000507499288 945269491 /nfs/dbraw/zinc/26/94/91/945269491.db2.gz YIQPLLOXPVGEHP-JFDBCFPISA-N 2 1 364.537 3.867 20 0 FHADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000507517233 945279950 /nfs/dbraw/zinc/27/99/50/945279950.db2.gz YVZSLEAQFHGSDK-DYQZNNLLSA-N 2 1 374.569 3.600 20 0 FHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000647490436 940209163 /nfs/dbraw/zinc/20/91/63/940209163.db2.gz XIZMCNLZTBZYOD-QGZVFWFLSA-N 2 1 364.468 3.767 20 0 FHADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000376112460 940325652 /nfs/dbraw/zinc/32/56/52/940325652.db2.gz HYWWSZGJJWXXIT-VWLOTQADSA-N 2 1 362.583 3.699 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC[C@H]1[NH3+] ZINC000647497798 940377184 /nfs/dbraw/zinc/37/71/84/940377184.db2.gz WAMATCABUQOASD-DYESRHJHSA-N 2 1 367.493 3.507 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431729522 940427403 /nfs/dbraw/zinc/42/74/03/940427403.db2.gz RBXDEWZBMYEBMU-KNQAVFIVSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431729522 940427408 /nfs/dbraw/zinc/42/74/08/940427408.db2.gz RBXDEWZBMYEBMU-KNQAVFIVSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431729522 940427409 /nfs/dbraw/zinc/42/74/09/940427409.db2.gz RBXDEWZBMYEBMU-KNQAVFIVSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000177774402 940429183 /nfs/dbraw/zinc/42/91/83/940429183.db2.gz ZZHOUBWGUGIAJK-SJLPKXTDSA-N 2 1 353.551 3.629 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000644096815 940444450 /nfs/dbraw/zinc/44/44/50/940444450.db2.gz SMRLVWWWQGTTKE-XMSQKQJNSA-N 2 1 365.521 3.661 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000414097183 940502564 /nfs/dbraw/zinc/50/25/64/940502564.db2.gz IFCWDVRBSUWAJR-HOTGVXAUSA-N 2 1 350.466 3.866 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100865 940504395 /nfs/dbraw/zinc/50/43/95/940504395.db2.gz LOMQGKLAEWISNF-HBFSDRIKSA-N 2 1 352.526 3.781 20 0 FHADMP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nc2c(s1)CCC2 ZINC000414156023 940684980 /nfs/dbraw/zinc/68/49/80/940684980.db2.gz OTEMQAPLYZKARZ-HUUCEWRRSA-N 2 1 359.539 3.984 20 0 FHADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@H]1CCCC[NH+]1C ZINC000173952428 940689816 /nfs/dbraw/zinc/68/98/16/940689816.db2.gz JFIUDTFTJJWKGG-OAHLLOKOSA-N 2 1 355.885 3.614 20 0 FHADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000173952428 940689820 /nfs/dbraw/zinc/68/98/20/940689820.db2.gz JFIUDTFTJJWKGG-OAHLLOKOSA-N 2 1 355.885 3.614 20 0 FHADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@H]1CCCC[N@H+]1C ZINC000173952428 940689822 /nfs/dbraw/zinc/68/98/22/940689822.db2.gz JFIUDTFTJJWKGG-OAHLLOKOSA-N 2 1 355.885 3.614 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892580483 940835818 /nfs/dbraw/zinc/83/58/18/940835818.db2.gz KSUMCANXOGILNX-QGZVFWFLSA-N 2 1 352.526 3.962 20 0 FHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000414257603 940846031 /nfs/dbraw/zinc/84/60/31/940846031.db2.gz FLKFEGUKZZRDPM-STZQEDGTSA-N 2 1 353.510 3.578 20 0 FHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000414257603 940846032 /nfs/dbraw/zinc/84/60/32/940846032.db2.gz FLKFEGUKZZRDPM-STZQEDGTSA-N 2 1 353.510 3.578 20 0 FHADMP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660658478 945359825 /nfs/dbraw/zinc/35/98/25/945359825.db2.gz CUXXSXBOVUCFPC-JOCHJYFZSA-N 2 1 357.542 3.748 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657484 945358413 /nfs/dbraw/zinc/35/84/13/945358413.db2.gz QNIJLIXKBUJVQO-JOCHJYFZSA-N 2 1 351.494 3.586 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657484 945358423 /nfs/dbraw/zinc/35/84/23/945358423.db2.gz QNIJLIXKBUJVQO-JOCHJYFZSA-N 2 1 351.494 3.586 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657484 945358437 /nfs/dbraw/zinc/35/84/37/945358437.db2.gz QNIJLIXKBUJVQO-JOCHJYFZSA-N 2 1 351.494 3.586 20 0 FHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414326424 940980781 /nfs/dbraw/zinc/98/07/81/940980781.db2.gz ANOFECPCAJNLSC-OOYIDZMOSA-N 2 1 356.554 3.818 20 0 FHADMP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601618 941001426 /nfs/dbraw/zinc/00/14/26/941001426.db2.gz IRFMQZVTVMKPOA-HOTGVXAUSA-N 2 1 354.441 3.651 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601618 941001429 /nfs/dbraw/zinc/00/14/29/941001429.db2.gz IRFMQZVTVMKPOA-HOTGVXAUSA-N 2 1 354.441 3.651 20 0 FHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)C1 ZINC000580104766 941048158 /nfs/dbraw/zinc/04/81/58/941048158.db2.gz CZZJUFWWEKTBMS-YOEHRIQHSA-N 2 1 353.457 3.816 20 0 FHADMP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889795 941069666 /nfs/dbraw/zinc/06/96/66/941069666.db2.gz HXNKJSTWPANCQQ-KRWDZBQOSA-N 2 1 361.505 3.741 20 0 FHADMP C(CCC[N@H+]1CCCC12CCOCC2)CC[NH+]1CCCC12CCOCC2 ZINC000376541809 941124842 /nfs/dbraw/zinc/12/48/42/941124842.db2.gz VSANOLACCGWSLA-UHFFFAOYSA-N 2 1 364.574 3.837 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285882 941147347 /nfs/dbraw/zinc/14/73/47/941147347.db2.gz SVCQTFIIIXWPRL-VFNWGFHPSA-N 2 1 360.461 3.593 20 0 FHADMP C[C@H]1CCC[C@@](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000311245970 941150863 /nfs/dbraw/zinc/15/08/63/941150863.db2.gz UIOPTOGFJIBZIJ-GHQDRPGLSA-N 2 1 367.578 3.922 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000311258635 941156978 /nfs/dbraw/zinc/15/69/78/941156978.db2.gz UJVSAWNJOHBUQV-UJWQCDCRSA-N 2 1 365.562 3.627 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000311258635 941156979 /nfs/dbraw/zinc/15/69/79/941156979.db2.gz UJVSAWNJOHBUQV-UJWQCDCRSA-N 2 1 365.562 3.627 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210002 941164457 /nfs/dbraw/zinc/16/44/57/941164457.db2.gz IQJRNVHNOZSGBE-YWZLYKJASA-N 2 1 355.457 3.839 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210002 941164459 /nfs/dbraw/zinc/16/44/59/941164459.db2.gz IQJRNVHNOZSGBE-YWZLYKJASA-N 2 1 355.457 3.839 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210025 941164521 /nfs/dbraw/zinc/16/45/21/941164521.db2.gz IQJRNVHNOZSGBE-MGPUTAFESA-N 2 1 355.457 3.839 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210025 941164522 /nfs/dbraw/zinc/16/45/22/941164522.db2.gz IQJRNVHNOZSGBE-MGPUTAFESA-N 2 1 355.457 3.839 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178368021 941237697 /nfs/dbraw/zinc/23/76/97/941237697.db2.gz HZPFVYJGIUFMMB-LPHOPBHVSA-N 2 1 369.475 3.656 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000178368021 941237698 /nfs/dbraw/zinc/23/76/98/941237698.db2.gz HZPFVYJGIUFMMB-LPHOPBHVSA-N 2 1 369.475 3.656 20 0 FHADMP Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000647651182 941263443 /nfs/dbraw/zinc/26/34/43/941263443.db2.gz CPFAFFBQAFSWTD-OAQYLSRUSA-N 2 1 366.509 3.594 20 0 FHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647651182 941263447 /nfs/dbraw/zinc/26/34/47/941263447.db2.gz CPFAFFBQAFSWTD-OAQYLSRUSA-N 2 1 366.509 3.594 20 0 FHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000647651182 941263454 /nfs/dbraw/zinc/26/34/54/941263454.db2.gz CPFAFFBQAFSWTD-OAQYLSRUSA-N 2 1 366.509 3.594 20 0 FHADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000179174013 941338745 /nfs/dbraw/zinc/33/87/45/941338745.db2.gz PCAANPBJNUZKBZ-APWZRJJASA-N 2 1 368.477 3.668 20 0 FHADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2o1 ZINC000179174013 941338748 /nfs/dbraw/zinc/33/87/48/941338748.db2.gz PCAANPBJNUZKBZ-APWZRJJASA-N 2 1 368.477 3.668 20 0 FHADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2o1 ZINC000179174013 941338752 /nfs/dbraw/zinc/33/87/52/941338752.db2.gz PCAANPBJNUZKBZ-APWZRJJASA-N 2 1 368.477 3.668 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000376832047 941443637 /nfs/dbraw/zinc/44/36/37/941443637.db2.gz UIBXLYKQUQFVQL-NUTKFTJISA-N 2 1 353.388 3.941 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000173423894 941504145 /nfs/dbraw/zinc/50/41/45/941504145.db2.gz FRPYUMQZWMWZIK-INIZCTEOSA-N 2 1 355.482 3.727 20 0 FHADMP FC(F)(F)c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415030927 941554460 /nfs/dbraw/zinc/55/44/60/941554460.db2.gz DDVMDOVKFADSQM-OAHLLOKOSA-N 2 1 370.440 3.902 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415034283 941557270 /nfs/dbraw/zinc/55/72/70/941557270.db2.gz CPNFQFNHAIKSNO-JXFKEZNVSA-N 2 1 358.917 3.798 20 0 FHADMP Brc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051616 941567586 /nfs/dbraw/zinc/56/75/86/941567586.db2.gz MFWHMUUKAANGJU-KBXCAEBGSA-N 2 1 374.326 3.961 20 0 FHADMP Brc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051616 941567588 /nfs/dbraw/zinc/56/75/88/941567588.db2.gz MFWHMUUKAANGJU-KBXCAEBGSA-N 2 1 374.326 3.961 20 0 FHADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000415052028 941567611 /nfs/dbraw/zinc/56/76/11/941567611.db2.gz GSAGKOSUXGEVSS-XMSQKQJNSA-N 2 1 353.510 3.694 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415051706 941567716 /nfs/dbraw/zinc/56/77/16/941567716.db2.gz MKWRDYLPCDGLGT-TZIWHRDSSA-N 2 1 351.494 3.721 20 0 FHADMP Brc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051618 941567740 /nfs/dbraw/zinc/56/77/40/941567740.db2.gz MFWHMUUKAANGJU-KSSFIOAISA-N 2 1 374.326 3.961 20 0 FHADMP Brc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051618 941567742 /nfs/dbraw/zinc/56/77/42/941567742.db2.gz MFWHMUUKAANGJU-KSSFIOAISA-N 2 1 374.326 3.961 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058764 941571046 /nfs/dbraw/zinc/57/10/46/941571046.db2.gz WETWCIHSZSRMTK-RXVVDRJESA-N 2 1 371.550 3.995 20 0 FHADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000415089383 941597738 /nfs/dbraw/zinc/59/77/38/941597738.db2.gz WMHKYGUUERJFKY-UWVAXJGDSA-N 2 1 357.448 3.626 20 0 FHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000415109698 941606870 /nfs/dbraw/zinc/60/68/70/941606870.db2.gz NYKRTYCMZUCCQK-IAGOWNOFSA-N 2 1 360.395 3.563 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195425 941770678 /nfs/dbraw/zinc/77/06/78/941770678.db2.gz BMUJZUCYAOTIFA-SFHVURJKSA-N 2 1 367.415 3.592 20 0 FHADMP O[C@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513204668 941780323 /nfs/dbraw/zinc/78/03/23/941780323.db2.gz UGSSTQFPZAQFEK-UXHICEINSA-N 2 1 366.496 3.610 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513204752 941780454 /nfs/dbraw/zinc/78/04/54/941780454.db2.gz WBTYAQHLDPSZRA-GHTZIAJQSA-N 2 1 351.494 3.658 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513204752 941780456 /nfs/dbraw/zinc/78/04/56/941780456.db2.gz WBTYAQHLDPSZRA-GHTZIAJQSA-N 2 1 351.494 3.658 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263369315 941845628 /nfs/dbraw/zinc/84/56/28/941845628.db2.gz XJVDDKXTRQVJHA-GCJKJVERSA-N 2 1 365.521 3.767 20 0 FHADMP C[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377628018 941854739 /nfs/dbraw/zinc/85/47/39/941854739.db2.gz QBBRQGXGVKENQW-DLBZAZTESA-N 2 1 369.475 3.726 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893028580 941909382 /nfs/dbraw/zinc/90/93/82/941909382.db2.gz GVCCLDOTVPOVLP-HXUWFJFHSA-N 2 1 364.534 3.599 20 0 FHADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709109 941919954 /nfs/dbraw/zinc/91/99/54/941919954.db2.gz UOBYMUCJMKACOT-UHFFFAOYSA-N 2 1 361.493 3.677 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([S@@](C)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513512673 941983699 /nfs/dbraw/zinc/98/36/99/941983699.db2.gz PHWXXSDHRPVNGO-JJHGTGHCSA-N 2 1 370.562 3.814 20 0 FHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1nc3ccc(Br)cc3o1)CC2 ZINC001279748999 941998763 /nfs/dbraw/zinc/99/87/63/941998763.db2.gz RCXCSLJKKFXXKR-UHFFFAOYSA-N 2 1 364.287 3.508 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513652493 942056237 /nfs/dbraw/zinc/05/62/37/942056237.db2.gz ASSZPRTVQULMKO-HBMCJLEFSA-N 2 1 352.526 3.958 20 0 FHADMP C[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)C[NH+]1CCCCC1 ZINC000513648264 942063822 /nfs/dbraw/zinc/06/38/22/942063822.db2.gz OQSOJDDSUGWWBX-LJQANCHMSA-N 2 1 353.510 3.872 20 0 FHADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513666248 942064429 /nfs/dbraw/zinc/06/44/29/942064429.db2.gz KIEQPVNQNBRHBU-BDTNDASRSA-N 2 1 352.526 3.576 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000415894874 942122551 /nfs/dbraw/zinc/12/25/51/942122551.db2.gz ACEDDSXIUBUMMM-UHFFFAOYSA-N 2 1 366.509 3.582 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415905877 942133786 /nfs/dbraw/zinc/13/37/86/942133786.db2.gz JCHQLKQIUHAUCY-ICSRJNTNSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000415905881 942134126 /nfs/dbraw/zinc/13/41/26/942134126.db2.gz JCHQLKQIUHAUCY-UYAOXDASSA-N 2 1 372.557 3.914 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000415907671 942135779 /nfs/dbraw/zinc/13/57/79/942135779.db2.gz BSFCQJUQWRFMTE-ZWKOTPCHSA-N 2 1 358.530 3.524 20 0 FHADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](CCC(C)(C)C)C2 ZINC001279880117 942163985 /nfs/dbraw/zinc/16/39/85/942163985.db2.gz PWTCWOGDXNJFHV-UGKGYDQZSA-N 2 1 365.606 3.715 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000501991169 942167535 /nfs/dbraw/zinc/16/75/35/942167535.db2.gz VPNAINMLNNVJSW-GIVPXCGWSA-N 2 1 359.558 3.570 20 0 FHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974111 942211133 /nfs/dbraw/zinc/21/11/33/942211133.db2.gz RKRJPZVLJQPPQO-MRXNPFEDSA-N 2 1 372.435 3.550 20 0 FHADMP COc1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000420910320 942249024 /nfs/dbraw/zinc/24/90/24/942249024.db2.gz ZXFDTKXFHLEWNO-UHFFFAOYSA-N 2 1 366.505 3.692 20 0 FHADMP COc1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000420910320 942249029 /nfs/dbraw/zinc/24/90/29/942249029.db2.gz ZXFDTKXFHLEWNO-UHFFFAOYSA-N 2 1 366.505 3.692 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3csc4ccccc34)CC2)CC1 ZINC000420986057 942282717 /nfs/dbraw/zinc/28/27/17/942282717.db2.gz XNAMMPRSPBCIOG-UHFFFAOYSA-N 2 1 357.567 3.893 20 0 FHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260402 942319637 /nfs/dbraw/zinc/31/96/37/942319637.db2.gz WUUVHRQLVYLXID-NHCUHLMSSA-N 2 1 360.542 3.635 20 0 FHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260402 942319642 /nfs/dbraw/zinc/31/96/42/942319642.db2.gz WUUVHRQLVYLXID-NHCUHLMSSA-N 2 1 360.542 3.635 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)CC1 ZINC000501153646 942328306 /nfs/dbraw/zinc/32/83/06/942328306.db2.gz KPUZQPYBWIAUSG-UHFFFAOYSA-N 2 1 370.368 3.768 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)CC1 ZINC000501153646 942328309 /nfs/dbraw/zinc/32/83/09/942328309.db2.gz KPUZQPYBWIAUSG-UHFFFAOYSA-N 2 1 370.368 3.768 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404206 942434496 /nfs/dbraw/zinc/43/44/96/942434496.db2.gz ZPNPXBPWQRWREY-LJQANCHMSA-N 2 1 352.526 3.559 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404206 942434500 /nfs/dbraw/zinc/43/45/00/942434500.db2.gz ZPNPXBPWQRWREY-LJQANCHMSA-N 2 1 352.526 3.559 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404206 942434502 /nfs/dbraw/zinc/43/45/02/942434502.db2.gz ZPNPXBPWQRWREY-LJQANCHMSA-N 2 1 352.526 3.559 20 0 FHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299828 942455870 /nfs/dbraw/zinc/45/58/70/942455870.db2.gz ZKMZJXOUDNIPCE-OAQYLSRUSA-N 2 1 361.574 3.508 20 0 FHADMP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513714028 942461797 /nfs/dbraw/zinc/46/17/97/942461797.db2.gz XBVDWLHZPIQLRU-KJXAQDMKSA-N 2 1 366.553 3.763 20 0 FHADMP c1cncc([C@H]2CCC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000501431240 942474763 /nfs/dbraw/zinc/47/47/63/942474763.db2.gz AVHLECXKKGRGPF-PZJWPPBQSA-N 2 1 357.542 3.733 20 0 FHADMP Cc1nccn1C[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000513713755 942475416 /nfs/dbraw/zinc/47/54/16/942475416.db2.gz SQVMOHGKBVMRBD-XTWGIRIWSA-N 2 1 354.542 3.860 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000513713755 942475421 /nfs/dbraw/zinc/47/54/21/942475421.db2.gz SQVMOHGKBVMRBD-XTWGIRIWSA-N 3 1 354.542 3.860 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000513713755 942475428 /nfs/dbraw/zinc/47/54/28/942475428.db2.gz SQVMOHGKBVMRBD-XTWGIRIWSA-N 3 1 354.542 3.860 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[C@@H](C)[NH+](C)C)c2c1C ZINC000664244090 942490869 /nfs/dbraw/zinc/49/08/69/942490869.db2.gz PBPMNEOTBIWIKJ-CYBMUJFWSA-N 2 1 361.559 3.656 20 0 FHADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414833427 942495216 /nfs/dbraw/zinc/49/52/16/942495216.db2.gz FRAABBYVRZTMGQ-LLVKDONJSA-N 2 1 351.235 3.514 20 0 FHADMP COCC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501483004 942505460 /nfs/dbraw/zinc/50/54/60/942505460.db2.gz VGNNMUNSCLRBGB-SQFISAMPSA-N 2 1 356.432 3.809 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)on1 ZINC000420293722 942596664 /nfs/dbraw/zinc/59/66/64/942596664.db2.gz RRKCPYAGLJFDPE-RDTXWAMCSA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)on1 ZINC000420293722 942596666 /nfs/dbraw/zinc/59/66/66/942596666.db2.gz RRKCPYAGLJFDPE-RDTXWAMCSA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc(CC[N@@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccsc2)cc1OC ZINC000420295232 942598572 /nfs/dbraw/zinc/59/85/72/942598572.db2.gz BYXCONZTMNDHBI-SFHVURJKSA-N 2 1 374.550 3.810 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccco1 ZINC000163965439 942601963 /nfs/dbraw/zinc/60/19/63/942601963.db2.gz WQDVLAPTBLZODM-KRWDZBQOSA-N 2 1 358.482 3.620 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1 ZINC000420299274 942610265 /nfs/dbraw/zinc/61/02/65/942610265.db2.gz IPRXZKJXRZACDX-KPLVRAHFSA-N 2 1 354.494 3.508 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1 ZINC000420299274 942610271 /nfs/dbraw/zinc/61/02/71/942610271.db2.gz IPRXZKJXRZACDX-KPLVRAHFSA-N 2 1 354.494 3.508 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305778 942612129 /nfs/dbraw/zinc/61/21/29/942612129.db2.gz KLYMOPMCKDOHTK-TZMCWYRMSA-N 2 1 360.914 3.885 20 0 FHADMP FC1(F)CCC[C@@H](C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000420307539 942613175 /nfs/dbraw/zinc/61/31/75/942613175.db2.gz IZHOVMYUKRAMEZ-HUUCEWRRSA-N 2 1 355.498 3.913 20 0 FHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311739 942615291 /nfs/dbraw/zinc/61/52/91/942615291.db2.gz RJWWBFKMRNGWBU-IPELMVKDSA-N 2 1 356.901 3.665 20 0 FHADMP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1(C[NH3+])CCC1 ZINC000420323651 942622051 /nfs/dbraw/zinc/62/20/51/942622051.db2.gz GPIINVRFWHQCSM-UHFFFAOYSA-N 2 1 353.466 3.621 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1(C[NH3+])CCC1 ZINC000420323651 942622054 /nfs/dbraw/zinc/62/20/54/942622054.db2.gz GPIINVRFWHQCSM-UHFFFAOYSA-N 2 1 353.466 3.621 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338298 942622885 /nfs/dbraw/zinc/62/28/85/942622885.db2.gz KPUHHMMAXAUJBZ-LEWJYISDSA-N 2 1 363.505 3.760 20 0 FHADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341987 942626031 /nfs/dbraw/zinc/62/60/31/942626031.db2.gz PDDWUEOLQAUESH-XIRDDKMYSA-N 2 1 358.461 3.567 20 0 FHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345662 942626602 /nfs/dbraw/zinc/62/66/02/942626602.db2.gz WHPYORIRGWLVTF-UXHICEINSA-N 2 1 363.505 3.614 20 0 FHADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCCC2 ZINC000181851736 942627677 /nfs/dbraw/zinc/62/76/77/942627677.db2.gz RAZRXGJPJVVTRD-PMACEKPBSA-N 2 1 352.563 3.593 20 0 FHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327054 942630398 /nfs/dbraw/zinc/63/03/98/942630398.db2.gz CRJGWCDWGYLYDK-UIFIKXQLSA-N 2 1 363.505 3.931 20 0 FHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000420357345 942636895 /nfs/dbraw/zinc/63/68/95/942636895.db2.gz HKTKRQOXEMPSJZ-CYBMUJFWSA-N 2 1 363.246 3.528 20 0 FHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000420396429 942654504 /nfs/dbraw/zinc/65/45/04/942654504.db2.gz FEBRWYSXHMQWIH-VHSXEESVSA-N 2 1 354.317 3.879 20 0 FHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406022 942663787 /nfs/dbraw/zinc/66/37/87/942663787.db2.gz NIBKMQDWNKNVFW-FUHIMQAGSA-N 2 1 351.494 3.917 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H](O)c1c(F)cccc1F ZINC000378398788 942717267 /nfs/dbraw/zinc/71/72/67/942717267.db2.gz DTFRYGQCGCWJJW-QUCCMNQESA-N 2 1 352.469 3.773 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000514082726 942734325 /nfs/dbraw/zinc/73/43/25/942734325.db2.gz IDXDXDLNQDXRFM-HSALFYBXSA-N 2 1 355.457 3.975 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741318 /nfs/dbraw/zinc/74/13/18/942741318.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741319 /nfs/dbraw/zinc/74/13/19/942741319.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741324 /nfs/dbraw/zinc/74/13/24/942741324.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741330 /nfs/dbraw/zinc/74/13/30/942741330.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741336 /nfs/dbraw/zinc/74/13/36/942741336.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741339 /nfs/dbraw/zinc/74/13/39/942741339.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741344 /nfs/dbraw/zinc/74/13/44/942741344.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741349 /nfs/dbraw/zinc/74/13/49/942741349.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741352 /nfs/dbraw/zinc/74/13/52/942741352.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749485 /nfs/dbraw/zinc/74/94/85/942749485.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749489 /nfs/dbraw/zinc/74/94/89/942749489.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749493 /nfs/dbraw/zinc/74/94/93/942749493.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 3 1 355.570 3.609 20 0 FHADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749496 /nfs/dbraw/zinc/74/94/96/942749496.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749500 /nfs/dbraw/zinc/74/95/00/942749500.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749502 /nfs/dbraw/zinc/74/95/02/942749502.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749505 /nfs/dbraw/zinc/74/95/05/942749505.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421820577 942831261 /nfs/dbraw/zinc/83/12/61/942831261.db2.gz MWVGHIOPLWVCGC-NRFANRHFSA-N 2 1 365.537 3.539 20 0 FHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686030 942864600 /nfs/dbraw/zinc/86/46/00/942864600.db2.gz SWRJAYFWSGCTFQ-FGTMMUONSA-N 2 1 372.557 3.577 20 0 FHADMP c1cnn(-c2cccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c2)c1 ZINC000434688084 942865159 /nfs/dbraw/zinc/86/51/59/942865159.db2.gz ICEKAIWHSJTRCA-UHFFFAOYSA-N 2 1 361.493 3.785 20 0 FHADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OCc1cccnc1 ZINC000414852068 942925470 /nfs/dbraw/zinc/92/54/70/942925470.db2.gz QFJDSOBHUBICPH-HXUWFJFHSA-N 2 1 369.509 3.666 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000503077491 942960895 /nfs/dbraw/zinc/96/08/95/942960895.db2.gz ZFXOQWYJJJBUDY-UHFFFAOYSA-N 2 1 364.497 3.636 20 0 FHADMP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000414568164 942974400 /nfs/dbraw/zinc/97/44/00/942974400.db2.gz MJQNTQBKYDZSRI-ZDUSSCGKSA-N 2 1 360.502 3.556 20 0 FHADMP Cc1noc(C2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000271900940 943067584 /nfs/dbraw/zinc/06/75/84/943067584.db2.gz ALRGQGCYKDKPMZ-UHFFFAOYSA-N 2 1 354.498 3.658 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000414650697 943096055 /nfs/dbraw/zinc/09/60/55/943096055.db2.gz BFEUEVYBBUUJPO-YLJYHZDGSA-N 2 1 354.494 3.833 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000414650697 943096065 /nfs/dbraw/zinc/09/60/65/943096065.db2.gz BFEUEVYBBUUJPO-YLJYHZDGSA-N 2 1 354.494 3.833 20 0 FHADMP COc1cc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)n1 ZINC000435059879 943132718 /nfs/dbraw/zinc/13/27/18/943132718.db2.gz QUKVUPNFSYGXEP-UHFFFAOYSA-N 2 1 354.498 3.619 20 0 FHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H](C)[NH2+]Cc4ccc(F)cc43)sc2C1 ZINC000414865937 943137642 /nfs/dbraw/zinc/13/76/42/943137642.db2.gz GEHHXFXRCJISFQ-CQSZACIVSA-N 2 1 374.529 3.547 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000514634323 943165940 /nfs/dbraw/zinc/16/59/40/943165940.db2.gz FGYKMMNGJOBIOD-OXJNMPFZSA-N 2 1 368.477 3.649 20 0 FHADMP CC(C)CC(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648841 943193083 /nfs/dbraw/zinc/19/30/83/943193083.db2.gz JTUFACAGJOHEBD-CTNGQTDRSA-N 2 1 371.569 3.524 20 0 FHADMP CCCCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673002 943201907 /nfs/dbraw/zinc/20/19/07/943201907.db2.gz BJWJEOKOOWDZQG-GOSISDBHSA-N 2 1 365.949 3.530 20 0 FHADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422695005 943248514 /nfs/dbraw/zinc/24/85/14/943248514.db2.gz OTFULIWIBOEVTO-XQAUZQBESA-N 2 1 356.441 3.741 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1)C(C)C ZINC000511593549 943248917 /nfs/dbraw/zinc/24/89/17/943248917.db2.gz NWVVQRPRVQCWOS-UHFFFAOYSA-N 2 1 359.558 3.911 20 0 FHADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422724020 943258791 /nfs/dbraw/zinc/25/87/91/943258791.db2.gz UBHXOGMFEZEIFM-UWJYYQICSA-N 2 1 353.510 3.719 20 0 FHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000416969633 943262728 /nfs/dbraw/zinc/26/27/28/943262728.db2.gz CDYADCPZYHHTDB-WIYYLYMNSA-N 2 1 374.573 3.576 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764324 943284838 /nfs/dbraw/zinc/28/48/38/943284838.db2.gz PWNHAOKXVUMNDT-ILXVDBEPSA-N 2 1 357.464 3.804 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764324 943284840 /nfs/dbraw/zinc/28/48/40/943284840.db2.gz PWNHAOKXVUMNDT-ILXVDBEPSA-N 2 1 357.464 3.804 20 0 FHADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422806007 943289882 /nfs/dbraw/zinc/28/98/82/943289882.db2.gz HOYCVLVQZPQTLL-VXKWHMMOSA-N 2 1 365.521 3.752 20 0 FHADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422806008 943290286 /nfs/dbraw/zinc/29/02/86/943290286.db2.gz HOYCVLVQZPQTLL-YADHBBJMSA-N 2 1 365.521 3.752 20 0 FHADMP Brc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422788960 943293191 /nfs/dbraw/zinc/29/31/91/943293191.db2.gz WGMQVELOTCAHPF-IEBWSBKVSA-N 2 1 373.294 3.795 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422865479 943310746 /nfs/dbraw/zinc/31/07/46/943310746.db2.gz YFQVTEDXCIVFOD-BEFAXECRSA-N 2 1 359.901 3.525 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880444 943314817 /nfs/dbraw/zinc/31/48/17/943314817.db2.gz LWVMFCVGOJSVRW-KSZLIROESA-N 2 1 352.526 3.823 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422873801 943322832 /nfs/dbraw/zinc/32/28/32/943322832.db2.gz BCLSOFLZZKXEAO-QZTJIDSGSA-N 3 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422873801 943322838 /nfs/dbraw/zinc/32/28/38/943322838.db2.gz BCLSOFLZZKXEAO-QZTJIDSGSA-N 2 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422873801 943322843 /nfs/dbraw/zinc/32/28/43/943322843.db2.gz BCLSOFLZZKXEAO-QZTJIDSGSA-N 2 1 366.553 3.931 20 0 FHADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422902190 943325343 /nfs/dbraw/zinc/32/53/43/943325343.db2.gz TZKNXWNCUWYCQF-RJGXRXQPSA-N 2 1 355.570 3.860 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909494 943328144 /nfs/dbraw/zinc/32/81/44/943328144.db2.gz OESLTMOPWKHWBD-XQFWAAQXSA-N 2 1 371.569 3.733 20 0 FHADMP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909494 943328146 /nfs/dbraw/zinc/32/81/46/943328146.db2.gz OESLTMOPWKHWBD-XQFWAAQXSA-N 2 1 371.569 3.733 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)c2ccccc21 ZINC000422912676 943328962 /nfs/dbraw/zinc/32/89/62/943328962.db2.gz WRPVWQNFUBZMGX-LVXYXVKQSA-N 2 1 357.448 3.664 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)c2ccccc21 ZINC000422912675 943329021 /nfs/dbraw/zinc/32/90/21/943329021.db2.gz WRPVWQNFUBZMGX-IFZYUDKTSA-N 2 1 357.448 3.664 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000511600975 943333929 /nfs/dbraw/zinc/33/39/29/943333929.db2.gz XWXRDFAFEYDDRZ-UHFFFAOYSA-N 2 1 359.558 3.524 20 0 FHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000414707460 943344384 /nfs/dbraw/zinc/34/43/84/943344384.db2.gz HYWGIIMEPVEKLH-SJORKVTESA-N 2 1 358.530 3.665 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435375096 943356505 /nfs/dbraw/zinc/35/65/05/943356505.db2.gz ZOHBCXJHYXLTSU-QFBILLFUSA-N 2 1 367.493 3.507 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435375095 943356634 /nfs/dbraw/zinc/35/66/34/943356634.db2.gz ZOHBCXJHYXLTSU-LPHOPBHVSA-N 2 1 367.493 3.507 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000422998159 943359388 /nfs/dbraw/zinc/35/93/88/943359388.db2.gz CKRBNUPCZSCPJC-FHGIMWBPSA-N 3 1 355.570 3.797 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996933 943359689 /nfs/dbraw/zinc/35/96/89/943359689.db2.gz AJKQQBJPJWARMB-SHBJFUFKSA-N 3 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996933 943359697 /nfs/dbraw/zinc/35/96/97/943359697.db2.gz AJKQQBJPJWARMB-SHBJFUFKSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996933 943359705 /nfs/dbraw/zinc/35/97/05/943359705.db2.gz AJKQQBJPJWARMB-SHBJFUFKSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000414711766 943365157 /nfs/dbraw/zinc/36/51/57/943365157.db2.gz MXZKTSIIFFTEIV-VQIMIIECSA-N 2 1 358.530 3.652 20 0 FHADMP CC[N@@H+](CCCC1CC[NH+](Cc2conc2C)CC1)Cc1conc1C ZINC000660159266 943365596 /nfs/dbraw/zinc/36/55/96/943365596.db2.gz ZGBUUVIUWPHKHV-UHFFFAOYSA-N 2 1 360.502 3.794 20 0 FHADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022829 943369815 /nfs/dbraw/zinc/36/98/15/943369815.db2.gz FZRHSUXOOHWYOM-VXGBXAGGSA-N 2 1 368.102 3.604 20 0 FHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000423044430 943375799 /nfs/dbraw/zinc/37/57/99/943375799.db2.gz BFLORJYUQBWFRD-BPQIPLTHSA-N 2 1 355.551 3.893 20 0 FHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423061567 943379000 /nfs/dbraw/zinc/37/90/00/943379000.db2.gz KYIMVXSIBKNBJG-ZLNRFVROSA-N 2 1 350.506 3.909 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])OC(C)C ZINC000423052032 943384363 /nfs/dbraw/zinc/38/43/63/943384363.db2.gz OWNNAIJKKDEIRR-ZNLUXHQJSA-N 2 1 356.510 3.709 20 0 FHADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085194 943388924 /nfs/dbraw/zinc/38/89/24/943388924.db2.gz JZOOLXCUSIARIJ-CPLYBDICSA-N 2 1 373.507 3.692 20 0 FHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423101867 943394799 /nfs/dbraw/zinc/39/47/99/943394799.db2.gz DJWUDXVTZDRFED-HAGHYFMRSA-N 2 1 350.934 3.826 20 0 FHADMP CCn1ccnc1C[N@@H+](C[C@H](C)Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433252 943397050 /nfs/dbraw/zinc/39/70/50/943397050.db2.gz MZONXZCELNCORC-CTNGQTDRSA-N 2 1 366.553 3.726 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122960 943397792 /nfs/dbraw/zinc/39/77/92/943397792.db2.gz KJZJKJPOYHKSQU-AFXVXQJMSA-N 2 1 373.585 3.977 20 0 FHADMP CC(=O)Nc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435420885 943399886 /nfs/dbraw/zinc/39/98/86/943399886.db2.gz GHPXJDGQGNIHAX-FQEVSTJZSA-N 2 1 369.534 3.851 20 0 FHADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000503885220 943402780 /nfs/dbraw/zinc/40/27/80/943402780.db2.gz KPKDSWMFKBEERW-FVVUREQNSA-N 2 1 350.453 3.647 20 0 FHADMP c1cc(C[N@@H+](Cc2ccc3c(c2)OCCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430053 943408794 /nfs/dbraw/zinc/40/87/94/943408794.db2.gz XREKIWANELTSJW-FQEVSTJZSA-N 2 1 370.518 3.664 20 0 FHADMP COc1ccc([C@H](C)C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436950 943416378 /nfs/dbraw/zinc/41/63/78/943416378.db2.gz HOORTFXOGVJAAJ-VQIMIIECSA-N 2 1 371.550 3.900 20 0 FHADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000423167793 943424564 /nfs/dbraw/zinc/42/45/64/943424564.db2.gz XFPOUZBSJVMSNM-VWKPWSFCSA-N 2 1 374.406 3.937 20 0 FHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCS2 ZINC000423180350 943429170 /nfs/dbraw/zinc/42/91/70/943429170.db2.gz AWMPSBORLWTKLX-IBGZPJMESA-N 2 1 357.523 3.787 20 0 FHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423209234 943432230 /nfs/dbraw/zinc/43/22/30/943432230.db2.gz IPBFUQAZRXGZBB-DYVFJYSZSA-N 2 1 355.320 3.744 20 0 FHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423209235 943432411 /nfs/dbraw/zinc/43/24/11/943432411.db2.gz IPBFUQAZRXGZBB-GUYCJALGSA-N 2 1 355.320 3.744 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1OC(F)(F)F ZINC000423193994 943438038 /nfs/dbraw/zinc/43/80/38/943438038.db2.gz XXDSEQFGUZVIBI-AWEZNQCLSA-N 2 1 353.388 3.811 20 0 FHADMP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414727420 943457231 /nfs/dbraw/zinc/45/72/31/943457231.db2.gz BCMZHDJBPSMHFG-CABCVRRESA-N 2 1 371.447 3.742 20 0 FHADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423286404 943464768 /nfs/dbraw/zinc/46/47/68/943464768.db2.gz GZYOMDPVAJAIMM-NVXWUHKLSA-N 2 1 352.494 3.942 20 0 FHADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1ccc(F)cc1 ZINC000423292652 943466195 /nfs/dbraw/zinc/46/61/95/943466195.db2.gz NTEQMEGGFBQELW-KGLIPLIRSA-N 2 1 353.445 3.585 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423293906 943475388 /nfs/dbraw/zinc/47/53/88/943475388.db2.gz SMCQBKWONVNEKL-MOPGFXCFSA-N 2 1 351.538 3.892 20 0 FHADMP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734353 943484137 /nfs/dbraw/zinc/48/41/37/943484137.db2.gz DOLGLZNSVNJEQN-QGZVFWFLSA-N 2 1 369.347 3.804 20 0 FHADMP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734353 943484140 /nfs/dbraw/zinc/48/41/40/943484140.db2.gz DOLGLZNSVNJEQN-QGZVFWFLSA-N 2 1 369.347 3.804 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1F ZINC000423358207 943489834 /nfs/dbraw/zinc/48/98/34/943489834.db2.gz BKGWPYLKLSQVAK-FXAWDEMLSA-N 2 1 364.480 3.739 20 0 FHADMP CC[N@@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435616890 943517054 /nfs/dbraw/zinc/51/70/54/943517054.db2.gz MFKRPMDDGKAVRQ-QGZVFWFLSA-N 2 1 362.315 3.961 20 0 FHADMP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423504160 943530906 /nfs/dbraw/zinc/53/09/06/943530906.db2.gz GKQHXKNGWGJCCC-LEOMRAHMSA-N 2 1 368.352 3.787 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496111 943537656 /nfs/dbraw/zinc/53/76/56/943537656.db2.gz DFUOXKXZQMKPIC-VGSWGCGISA-N 2 1 355.526 3.540 20 0 FHADMP CC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423548765 943554130 /nfs/dbraw/zinc/55/41/30/943554130.db2.gz DWUIVSBUVCEULB-OAQYLSRUSA-N 2 1 355.501 3.860 20 0 FHADMP FC(F)(F)COCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691242 943559270 /nfs/dbraw/zinc/55/92/70/943559270.db2.gz FVMPBIJHZMZRMD-HNNXBMFYSA-N 2 1 362.461 3.661 20 0 FHADMP CC(C)C[C@H]([NH3+])CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000414755418 943587409 /nfs/dbraw/zinc/58/74/09/943587409.db2.gz PATIIEYFUOTCAV-INIZCTEOSA-N 2 1 358.357 3.527 20 0 FHADMP Cc1c(-c2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4C(C)C)C3)on2)cnn1C ZINC000364122467 943610938 /nfs/dbraw/zinc/61/09/38/943610938.db2.gz CHTHYWLNCHCKAD-MRXNPFEDSA-N 2 1 368.485 3.541 20 0 FHADMP Cc1c(-c2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4C(C)C)C3)on2)cnn1C ZINC000364122467 943610941 /nfs/dbraw/zinc/61/09/41/943610941.db2.gz CHTHYWLNCHCKAD-MRXNPFEDSA-N 2 1 368.485 3.541 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000423986426 943674096 /nfs/dbraw/zinc/67/40/96/943674096.db2.gz XZVMQNIZXVUSTA-NHCUHLMSSA-N 2 1 357.542 3.523 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773976 943729521 /nfs/dbraw/zinc/72/95/21/943729521.db2.gz FAOCPYWZMOYLMY-HZPDHXFCSA-N 2 1 352.906 3.569 20 0 FHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000584839580 943737912 /nfs/dbraw/zinc/73/79/12/943737912.db2.gz RCWBKOCHDGVUAY-JYJNAYRXSA-N 2 1 372.431 3.586 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257427 943795649 /nfs/dbraw/zinc/79/56/49/943795649.db2.gz SUAIWSNOQDUFOW-RZQQEMMASA-N 2 1 373.566 3.732 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000515318330 943798100 /nfs/dbraw/zinc/79/81/00/943798100.db2.gz AUPLEZJFACFBNF-QRWLVFNGSA-N 2 1 353.441 3.574 20 0 FHADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424301120 943828106 /nfs/dbraw/zinc/82/81/06/943828106.db2.gz XBPMYXCXSZDRBJ-ZDUSSCGKSA-N 2 1 370.324 3.786 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781176 943830524 /nfs/dbraw/zinc/83/05/24/943830524.db2.gz MQRZVGJNUFLWHM-HOTGVXAUSA-N 2 1 354.441 3.508 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cncc(OCc3ccccc3)c1)CC[NH2+]CC2 ZINC000424284680 943836618 /nfs/dbraw/zinc/83/66/18/943836618.db2.gz DNVUDXHXCUXLNQ-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424375881 943887249 /nfs/dbraw/zinc/88/72/49/943887249.db2.gz KJYPALSRFYFOAV-AWEZNQCLSA-N 2 1 352.906 3.711 20 0 FHADMP CCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424385723 943892409 /nfs/dbraw/zinc/89/24/09/943892409.db2.gz WLYNLRKHEVFVFW-AWEZNQCLSA-N 2 1 352.906 3.711 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424436715 943929004 /nfs/dbraw/zinc/92/90/04/943929004.db2.gz MTFUQBSIYUWSNQ-OAQYLSRUSA-N 2 1 366.509 3.582 20 0 FHADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000290363268 943976999 /nfs/dbraw/zinc/97/69/99/943976999.db2.gz AAUPIBMQZORYBB-WMZOPIPTSA-N 2 1 359.539 3.588 20 0 FHADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290363268 943977002 /nfs/dbraw/zinc/97/70/02/943977002.db2.gz AAUPIBMQZORYBB-WMZOPIPTSA-N 2 1 359.539 3.588 20 0 FHADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511643755 943980150 /nfs/dbraw/zinc/98/01/50/943980150.db2.gz FDRMCFTZBMMMEV-CEXWTWQISA-N 2 1 357.542 3.915 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417938954 943981005 /nfs/dbraw/zinc/98/10/05/943981005.db2.gz JJIUWRAIMXWOIE-PXNSSMCTSA-N 2 1 371.550 3.623 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417938954 943981008 /nfs/dbraw/zinc/98/10/08/943981008.db2.gz JJIUWRAIMXWOIE-PXNSSMCTSA-N 2 1 371.550 3.623 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500059459 944031497 /nfs/dbraw/zinc/03/14/97/944031497.db2.gz MASHWEUOSHPDKV-JTHBVZDNSA-N 2 1 371.569 3.668 20 0 FHADMP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000647937365 944041190 /nfs/dbraw/zinc/04/11/90/944041190.db2.gz WUEXRCHEACYWLM-DUXKGJEZSA-N 2 1 371.569 3.707 20 0 FHADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000647937365 944041198 /nfs/dbraw/zinc/04/11/98/944041198.db2.gz WUEXRCHEACYWLM-DUXKGJEZSA-N 2 1 371.569 3.707 20 0 FHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000517199283 944096931 /nfs/dbraw/zinc/09/69/31/944096931.db2.gz OAIYIORXIRFYQB-FQEVSTJZSA-N 2 1 354.469 3.860 20 0 FHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000517199283 944096944 /nfs/dbraw/zinc/09/69/44/944096944.db2.gz OAIYIORXIRFYQB-FQEVSTJZSA-N 2 1 354.469 3.860 20 0 FHADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000414812278 944104781 /nfs/dbraw/zinc/10/47/81/944104781.db2.gz QYZDGEUDSFYWPQ-KRWDZBQOSA-N 3 1 355.501 3.642 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000414812278 944104785 /nfs/dbraw/zinc/10/47/85/944104785.db2.gz QYZDGEUDSFYWPQ-KRWDZBQOSA-N 2 1 355.501 3.642 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000436279572 944159414 /nfs/dbraw/zinc/15/94/14/944159414.db2.gz HUZSHSZUBVSLJN-UHFFFAOYSA-N 2 1 366.534 3.935 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)c2)CCO1 ZINC000436278923 944159598 /nfs/dbraw/zinc/15/95/98/944159598.db2.gz GZQWZQCANHMDHZ-MRXNPFEDSA-N 2 1 367.468 3.818 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)c2)CCO1 ZINC000436278923 944159601 /nfs/dbraw/zinc/15/96/01/944159601.db2.gz GZQWZQCANHMDHZ-MRXNPFEDSA-N 2 1 367.468 3.818 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436286028 944165029 /nfs/dbraw/zinc/16/50/29/944165029.db2.gz QKYIARMJQGRTMG-FCEUIQTBSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436286028 944165031 /nfs/dbraw/zinc/16/50/31/944165031.db2.gz QKYIARMJQGRTMG-FCEUIQTBSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436286028 944165036 /nfs/dbraw/zinc/16/50/36/944165036.db2.gz QKYIARMJQGRTMG-FCEUIQTBSA-N 2 1 365.606 3.510 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@@H]1C ZINC000436296660 944181014 /nfs/dbraw/zinc/18/10/14/944181014.db2.gz SGHABJGARPSJSR-QGZVKYPTSA-N 2 1 350.547 3.741 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756127 944184785 /nfs/dbraw/zinc/18/47/85/944184785.db2.gz MAWQUWWFECRADR-WOJBJXKFSA-N 2 1 371.569 3.798 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756124 944184866 /nfs/dbraw/zinc/18/48/66/944184866.db2.gz MAWQUWWFECRADR-PMACEKPBSA-N 2 1 371.569 3.798 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nccn1-c1ccccc1 ZINC000515828728 944246872 /nfs/dbraw/zinc/24/68/72/944246872.db2.gz DVOHHYVESPVWOG-KPDCDPCYSA-N 2 1 374.488 3.779 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CCCO1 ZINC000894567074 944265992 /nfs/dbraw/zinc/26/59/92/944265992.db2.gz OZQORXIPJZBFSI-CYBMUJFWSA-N 2 1 353.919 3.540 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CCCO1 ZINC000894567074 944266000 /nfs/dbraw/zinc/26/60/00/944266000.db2.gz OZQORXIPJZBFSI-CYBMUJFWSA-N 2 1 353.919 3.540 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475280 944288190 /nfs/dbraw/zinc/28/81/90/944288190.db2.gz UXKWIJAOLPUEOG-RTBURBONSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475280 944288196 /nfs/dbraw/zinc/28/81/96/944288196.db2.gz UXKWIJAOLPUEOG-RTBURBONSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475280 944288206 /nfs/dbraw/zinc/28/82/06/944288206.db2.gz UXKWIJAOLPUEOG-RTBURBONSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475280 944288216 /nfs/dbraw/zinc/28/82/16/944288216.db2.gz UXKWIJAOLPUEOG-RTBURBONSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475571 944294043 /nfs/dbraw/zinc/29/40/43/944294043.db2.gz XZNSFMYGKUOVDR-SFTDATJTSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475571 944294051 /nfs/dbraw/zinc/29/40/51/944294051.db2.gz XZNSFMYGKUOVDR-SFTDATJTSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000506475571 944294054 /nfs/dbraw/zinc/29/40/54/944294054.db2.gz XZNSFMYGKUOVDR-SFTDATJTSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000506475571 944294060 /nfs/dbraw/zinc/29/40/60/944294060.db2.gz XZNSFMYGKUOVDR-SFTDATJTSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H](CCc1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942807 944300102 /nfs/dbraw/zinc/30/01/02/944300102.db2.gz GUMIQAZYGMOGRW-NZQKXSOJSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942807 944300106 /nfs/dbraw/zinc/30/01/06/944300106.db2.gz GUMIQAZYGMOGRW-NZQKXSOJSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@@H](CCc1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425942807 944300115 /nfs/dbraw/zinc/30/01/15/944300115.db2.gz GUMIQAZYGMOGRW-NZQKXSOJSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@@H](CCc1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425942807 944300124 /nfs/dbraw/zinc/30/01/24/944300124.db2.gz GUMIQAZYGMOGRW-NZQKXSOJSA-N 2 1 352.522 3.577 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000439077376 944309310 /nfs/dbraw/zinc/30/93/10/944309310.db2.gz KYXZSRQNDUENBW-MRXNPFEDSA-N 2 1 361.530 3.959 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000439077376 944309316 /nfs/dbraw/zinc/30/93/16/944309316.db2.gz KYXZSRQNDUENBW-MRXNPFEDSA-N 2 1 361.530 3.959 20 0 FHADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167975479 944328206 /nfs/dbraw/zinc/32/82/06/944328206.db2.gz QDPYOVCGOOXYGG-IHWFROFDSA-N 2 1 370.537 3.696 20 0 FHADMP COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167975479 944328215 /nfs/dbraw/zinc/32/82/15/944328215.db2.gz QDPYOVCGOOXYGG-IHWFROFDSA-N 2 1 370.537 3.696 20 0 FHADMP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000425954131 944377714 /nfs/dbraw/zinc/37/77/14/944377714.db2.gz YMGFIWQUMNLRGN-RPCJCACASA-N 2 1 358.526 3.882 20 0 FHADMP CC(C)N(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001167977892 944432910 /nfs/dbraw/zinc/43/29/10/944432910.db2.gz IGFAKILGUDHCTK-YQQQUEKLSA-N 2 1 365.562 3.627 20 0 FHADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000311245969 944447724 /nfs/dbraw/zinc/44/77/24/944447724.db2.gz UIOPTOGFJIBZIJ-FRVUEHSBSA-N 2 1 367.578 3.922 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390581687 944513762 /nfs/dbraw/zinc/51/37/62/944513762.db2.gz DSFSVNSEORKZGA-TZIWHRDSSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390581687 944513765 /nfs/dbraw/zinc/51/37/65/944513765.db2.gz DSFSVNSEORKZGA-TZIWHRDSSA-N 2 1 352.526 3.688 20 0 FHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3ccccc3)C[C@@H]2C1 ZINC000425994641 944573537 /nfs/dbraw/zinc/57/35/37/944573537.db2.gz QTKYUMKRQRUWPV-SZPZYZBQSA-N 2 1 372.516 3.592 20 0 FHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3ccccc3)C[C@@H]2C1 ZINC000425994641 944573545 /nfs/dbraw/zinc/57/35/45/944573545.db2.gz QTKYUMKRQRUWPV-SZPZYZBQSA-N 2 1 372.516 3.592 20 0 FHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3ccccc3)C[C@@H]2C1 ZINC000425994641 944573553 /nfs/dbraw/zinc/57/35/53/944573553.db2.gz QTKYUMKRQRUWPV-SZPZYZBQSA-N 2 1 372.516 3.592 20 0 FHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3-c3ccccc3)C[C@@H]2C1 ZINC000425994641 944573556 /nfs/dbraw/zinc/57/35/56/944573556.db2.gz QTKYUMKRQRUWPV-SZPZYZBQSA-N 2 1 372.516 3.592 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(Br)n1 ZINC000292927769 944613371 /nfs/dbraw/zinc/61/33/71/944613371.db2.gz SUTSFGMHGSKMCW-UHFFFAOYSA-N 2 1 351.292 3.515 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(Br)n1 ZINC000292927769 944613377 /nfs/dbraw/zinc/61/33/77/944613377.db2.gz SUTSFGMHGSKMCW-UHFFFAOYSA-N 2 1 351.292 3.515 20 0 FHADMP CC[C@@H]1C[NH+](Cc2ccc(C[N@H+]3CCCO[C@@H](CC)C3)cc2)CCCO1 ZINC000439469975 944647705 /nfs/dbraw/zinc/64/77/05/944647705.db2.gz BMUVVQLQSACWLK-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCO[C@@H](CC)C3)cc2)CCCO1 ZINC000439469975 944647707 /nfs/dbraw/zinc/64/77/07/944647707.db2.gz BMUVVQLQSACWLK-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCO[C@@H](CC)C3)cc2)CCCO1 ZINC000439469975 944647713 /nfs/dbraw/zinc/64/77/13/944647713.db2.gz BMUVVQLQSACWLK-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C(C)(C)C)CC1 ZINC000469446871 944666259 /nfs/dbraw/zinc/66/62/59/944666259.db2.gz UOHCFFZWCYAGKE-SFHVURJKSA-N 2 1 359.558 3.524 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000500376928 944681945 /nfs/dbraw/zinc/68/19/45/944681945.db2.gz MVGYBTOCYIDCIA-SSZFMOIBSA-N 2 1 369.475 3.724 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000162740250 944704179 /nfs/dbraw/zinc/70/41/79/944704179.db2.gz PJIZJSWWNGYCOI-GOSISDBHSA-N 2 1 367.493 3.816 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000426410067 944721521 /nfs/dbraw/zinc/72/15/21/944721521.db2.gz JZXLGBITJJDSHB-GOSISDBHSA-N 2 1 368.521 3.976 20 0 FHADMP CCCc1csc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000426421949 944747924 /nfs/dbraw/zinc/74/79/24/944747924.db2.gz SKCSHBSMJSIMCK-IAGOWNOFSA-N 2 1 365.587 3.807 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572761 944789526 /nfs/dbraw/zinc/78/95/26/944789526.db2.gz GKYGZVWRVWOCHG-MOPGFXCFSA-N 2 1 363.571 3.654 20 0 FHADMP CC[N@H+](CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000426066452 944802449 /nfs/dbraw/zinc/80/24/49/944802449.db2.gz JXVVBMSDFDSUBU-WMZOPIPTSA-N 2 1 363.512 3.893 20 0 FHADMP CC[N@@H+](CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000426066452 944802457 /nfs/dbraw/zinc/80/24/57/944802457.db2.gz JXVVBMSDFDSUBU-WMZOPIPTSA-N 2 1 363.512 3.893 20 0 FHADMP CCCc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000426786028 944802659 /nfs/dbraw/zinc/80/26/59/944802659.db2.gz SCSBJLUQTVLKAT-IAGOWNOFSA-N 2 1 365.587 3.807 20 0 FHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000093769398 944887426 /nfs/dbraw/zinc/88/74/26/944887426.db2.gz URPSYCWCWVAQLX-UHFFFAOYSA-N 2 1 373.463 3.671 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000093769398 944887434 /nfs/dbraw/zinc/88/74/34/944887434.db2.gz URPSYCWCWVAQLX-UHFFFAOYSA-N 2 1 373.463 3.671 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000414895233 944899273 /nfs/dbraw/zinc/89/92/73/944899273.db2.gz WFEFKDGDORWKSC-GOSISDBHSA-N 2 1 360.885 3.755 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698206 944913044 /nfs/dbraw/zinc/91/30/44/944913044.db2.gz YDMKWDPKSKAZFQ-QZTJIDSGSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698206 944913050 /nfs/dbraw/zinc/91/30/50/944913050.db2.gz YDMKWDPKSKAZFQ-QZTJIDSGSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698206 944913055 /nfs/dbraw/zinc/91/30/55/944913055.db2.gz YDMKWDPKSKAZFQ-QZTJIDSGSA-N 2 1 357.542 3.521 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000414896169 944942840 /nfs/dbraw/zinc/94/28/40/944942840.db2.gz AXPXIGYENUOLAV-QGZVFWFLSA-N 2 1 369.513 3.566 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414896168 944943063 /nfs/dbraw/zinc/94/30/63/944943063.db2.gz AXPXIGYENUOLAV-KRWDZBQOSA-N 2 1 369.513 3.566 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414950371 945012734 /nfs/dbraw/zinc/01/27/34/945012734.db2.gz OODZBBIYXPOQDP-RDTXWAMCSA-N 2 1 357.885 3.822 20 0 FHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000439844812 945023669 /nfs/dbraw/zinc/02/36/69/945023669.db2.gz WJPYWYGSOKGQJB-CTNGQTDRSA-N 2 1 361.574 3.508 20 0 FHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414952802 945027234 /nfs/dbraw/zinc/02/72/34/945027234.db2.gz QZHKXIUWJHXQDM-PXNSSMCTSA-N 2 1 354.494 3.894 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000660696745 945401610 /nfs/dbraw/zinc/40/16/10/945401610.db2.gz OWTTZLZBLIWYRH-UHFFFAOYSA-N 2 1 372.475 3.711 20 0 FHADMP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CCOCC1 ZINC000187780870 945596712 /nfs/dbraw/zinc/59/67/12/945596712.db2.gz FKXOGQPQGMPGHZ-YYDVJCTNSA-N 2 1 374.569 3.696 20 0 FHADMP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000629701413 945662724 /nfs/dbraw/zinc/66/27/24/945662724.db2.gz BTACQJXESZLGQU-PXNSSMCTSA-N 2 1 352.522 3.756 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(OCc2cccnc2)c1 ZINC000443986462 945690353 /nfs/dbraw/zinc/69/03/53/945690353.db2.gz HIDOHFJZZUDHNG-VQTJNVASSA-N 2 1 369.509 3.632 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(OCc2cccnc2)c1 ZINC000443986459 945690488 /nfs/dbraw/zinc/69/04/88/945690488.db2.gz HIDOHFJZZUDHNG-UXHICEINSA-N 2 1 369.509 3.632 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@@H](C)C1 ZINC000544373828 945750164 /nfs/dbraw/zinc/75/01/64/945750164.db2.gz UCLCMSPHLHGMPA-SUMWQHHRSA-N 2 1 364.331 3.793 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000651719225 945771344 /nfs/dbraw/zinc/77/13/44/945771344.db2.gz MZVQGMVAXAJBDM-OXQOHEQNSA-N 2 1 367.522 3.502 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000651719225 945771345 /nfs/dbraw/zinc/77/13/45/945771345.db2.gz MZVQGMVAXAJBDM-OXQOHEQNSA-N 2 1 367.522 3.502 20 0 FHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065967 945796326 /nfs/dbraw/zinc/79/63/26/945796326.db2.gz ZJERXXVHNZHNHH-JIYJMNMHSA-N 2 1 368.443 3.832 20 0 FHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000444090328 945839930 /nfs/dbraw/zinc/83/99/30/945839930.db2.gz RHFOGMSVDXAWIB-SXFAUFNYSA-N 2 1 371.569 3.759 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000164677988 945981762 /nfs/dbraw/zinc/98/17/62/945981762.db2.gz WGGJXQPONXJCJF-UHFFFAOYSA-N 2 1 374.916 3.520 20 0 FHADMP CC[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000522848908 945989201 /nfs/dbraw/zinc/98/92/01/945989201.db2.gz XLTXUEHVFJYOIL-RTBURBONSA-N 2 1 365.949 3.714 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000662824858 946074974 /nfs/dbraw/zinc/07/49/74/946074974.db2.gz DLSJMOWYPKACCB-QUCCMNQESA-N 2 1 351.579 3.501 20 0 FHADMP CCc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc(C)[nH+]1 ZINC000302059312 946100958 /nfs/dbraw/zinc/10/09/58/946100958.db2.gz SCUKMUUDUBBPPJ-INIZCTEOSA-N 2 1 354.498 3.659 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000302071113 946106983 /nfs/dbraw/zinc/10/69/83/946106983.db2.gz YLILTMUFXFVWJJ-SFHVURJKSA-N 2 1 351.425 3.553 20 0 FHADMP Cc1nc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[nH]c1C ZINC000896913866 946125064 /nfs/dbraw/zinc/12/50/64/946125064.db2.gz MLFDUJDYTXXERN-UHFFFAOYSA-N 2 1 362.477 3.589 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000665580258 946181554 /nfs/dbraw/zinc/18/15/54/946181554.db2.gz SUIUQFQBLJEPDU-SFHVURJKSA-N 2 1 369.553 3.551 20 0 FHADMP CN(C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000441145719 946271767 /nfs/dbraw/zinc/27/17/67/946271767.db2.gz IDTZTSXWROPWMX-HXUWFJFHSA-N 2 1 357.542 3.628 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259914 946356931 /nfs/dbraw/zinc/35/69/31/946356931.db2.gz FEURSESXMYFVET-GIVPXCGWSA-N 2 1 360.542 3.546 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271550 946383217 /nfs/dbraw/zinc/38/32/17/946383217.db2.gz RBXZGZCEXGTODY-SYYKKAFVSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271550 946383228 /nfs/dbraw/zinc/38/32/28/946383228.db2.gz RBXZGZCEXGTODY-SYYKKAFVSA-N 2 1 367.493 3.557 20 0 FHADMP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccn2)cc1 ZINC000652154802 946402217 /nfs/dbraw/zinc/40/22/17/946402217.db2.gz OXRWXJMTHUWIFL-OAQYLSRUSA-N 2 1 350.466 3.755 20 0 FHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000101589823 946436836 /nfs/dbraw/zinc/43/68/36/946436836.db2.gz WPTJNUJDHLHREX-UHFFFAOYSA-N 2 1 360.420 3.600 20 0 FHADMP CC(C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+]1CCCCC1 ZINC000520355091 946442781 /nfs/dbraw/zinc/44/27/81/946442781.db2.gz DNRLPQHSHAYWQY-OAQYLSRUSA-N 2 1 359.558 3.654 20 0 FHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000441356711 946475448 /nfs/dbraw/zinc/47/54/48/946475448.db2.gz QISMWLOAQFBZPR-JOCHJYFZSA-N 2 1 373.585 3.627 20 0 FHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368095 946517262 /nfs/dbraw/zinc/51/72/62/946517262.db2.gz ASOZPVNIULCIIN-VQTJNVASSA-N 2 1 362.558 3.530 20 0 FHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368095 946517268 /nfs/dbraw/zinc/51/72/68/946517268.db2.gz ASOZPVNIULCIIN-VQTJNVASSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368095 946517276 /nfs/dbraw/zinc/51/72/76/946517276.db2.gz ASOZPVNIULCIIN-VQTJNVASSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368095 946517281 /nfs/dbraw/zinc/51/72/81/946517281.db2.gz ASOZPVNIULCIIN-VQTJNVASSA-N 2 1 362.558 3.530 20 0 FHADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000441376515 946530381 /nfs/dbraw/zinc/53/03/81/946530381.db2.gz ATGBIGVBXKAQSZ-UHFFFAOYSA-N 2 1 359.489 3.510 20 0 FHADMP CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423028542 946565752 /nfs/dbraw/zinc/56/57/52/946565752.db2.gz GQNVHCDYTWPBTC-RZUBCFFCSA-N 2 1 371.569 3.538 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191076 946623685 /nfs/dbraw/zinc/62/36/85/946623685.db2.gz CCTZJOVEOGVDNO-XUWVNRHRSA-N 2 1 356.963 3.984 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475191076 946623694 /nfs/dbraw/zinc/62/36/94/946623694.db2.gz CCTZJOVEOGVDNO-XUWVNRHRSA-N 2 1 356.963 3.984 20 0 FHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000261391557 946642615 /nfs/dbraw/zinc/64/26/15/946642615.db2.gz GFAUBQBMZNLPOP-UHFFFAOYSA-N 2 1 371.569 3.576 20 0 FHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000105457055 946662304 /nfs/dbraw/zinc/66/23/04/946662304.db2.gz AVUNKGPNXFWIEO-LJQANCHMSA-N 2 1 353.510 3.871 20 0 FHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000105457055 946662311 /nfs/dbraw/zinc/66/23/11/946662311.db2.gz AVUNKGPNXFWIEO-LJQANCHMSA-N 2 1 353.510 3.871 20 0 FHADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000565158302 946822432 /nfs/dbraw/zinc/82/24/32/946822432.db2.gz VTSCBEVHOQBDTF-FZMZJTMJSA-N 2 1 366.328 3.884 20 0 FHADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000565158302 946822440 /nfs/dbraw/zinc/82/24/40/946822440.db2.gz VTSCBEVHOQBDTF-FZMZJTMJSA-N 2 1 366.328 3.884 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000475291517 946829967 /nfs/dbraw/zinc/82/99/67/946829967.db2.gz PJIUPMGQCFRRJM-QGZVFWFLSA-N 2 1 352.507 3.750 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000444454601 946884859 /nfs/dbraw/zinc/88/48/59/946884859.db2.gz OZDBCMUJSIRWJS-UWJYYQICSA-N 2 1 368.525 3.868 20 0 FHADMP c1ccc2c(c1)CC1(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC1)O2 ZINC001167994945 946890637 /nfs/dbraw/zinc/89/06/37/946890637.db2.gz QYZFDMCDWMILMM-WCRBZPEASA-N 2 1 352.522 3.862 20 0 FHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995003 946892823 /nfs/dbraw/zinc/89/28/23/946892823.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 2 1 367.581 3.846 20 0 FHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995003 946892834 /nfs/dbraw/zinc/89/28/34/946892834.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 2 1 367.581 3.846 20 0 FHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995003 946892844 /nfs/dbraw/zinc/89/28/44/946892844.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 3 1 367.581 3.846 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1CC[NH3+] ZINC000652353722 946903900 /nfs/dbraw/zinc/90/39/00/946903900.db2.gz AQDAMXXMPVGQIR-UWJYYQICSA-N 2 1 351.494 3.888 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000164620783 946910905 /nfs/dbraw/zinc/91/09/05/946910905.db2.gz BRRFMUMUUWZUTG-QGZVFWFLSA-N 2 1 367.497 3.635 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)cc1 ZINC000647978465 946970945 /nfs/dbraw/zinc/97/09/45/946970945.db2.gz SNUZOSSGGDTAAC-FGZHOGPDSA-N 2 1 365.521 3.872 20 0 FHADMP COc1ccccc1O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995622 946971658 /nfs/dbraw/zinc/97/16/58/946971658.db2.gz LOIRBNKFFXSSHA-JKWVGCSGSA-N 2 1 370.537 3.944 20 0 FHADMP COc1ccccc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995622 946971666 /nfs/dbraw/zinc/97/16/66/946971666.db2.gz LOIRBNKFFXSSHA-JKWVGCSGSA-N 2 1 370.537 3.944 20 0 FHADMP COc1ccccc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995622 946971671 /nfs/dbraw/zinc/97/16/71/946971671.db2.gz LOIRBNKFFXSSHA-JKWVGCSGSA-N 2 1 370.537 3.944 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981413 /nfs/dbraw/zinc/98/14/13/946981413.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981424 /nfs/dbraw/zinc/98/14/24/946981424.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981438 /nfs/dbraw/zinc/98/14/38/946981438.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981450 /nfs/dbraw/zinc/98/14/50/946981450.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981460 /nfs/dbraw/zinc/98/14/60/946981460.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981472 /nfs/dbraw/zinc/98/14/72/946981472.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981482 /nfs/dbraw/zinc/98/14/82/946981482.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP C[C@@H]1C[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062696 946996576 /nfs/dbraw/zinc/99/65/76/946996576.db2.gz LQVQSFNSGRUDEE-YHELAOLJSA-N 2 1 352.526 3.964 20 0 FHADMP COc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)c1 ZINC000655711190 947004690 /nfs/dbraw/zinc/00/46/90/947004690.db2.gz HYFSFYFFVNNVNL-JOCHJYFZSA-N 2 1 372.553 3.740 20 0 FHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644513 947065338 /nfs/dbraw/zinc/06/53/38/947065338.db2.gz FIHFZLHNNNBLDE-FGZHOGPDSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644513 947065350 /nfs/dbraw/zinc/06/53/50/947065350.db2.gz FIHFZLHNNNBLDE-FGZHOGPDSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644513 947065361 /nfs/dbraw/zinc/06/53/61/947065361.db2.gz FIHFZLHNNNBLDE-FGZHOGPDSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644513 947065373 /nfs/dbraw/zinc/06/53/73/947065373.db2.gz FIHFZLHNNNBLDE-FGZHOGPDSA-N 2 1 358.526 3.518 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167949912 947083828 /nfs/dbraw/zinc/08/38/28/947083828.db2.gz LJJUHLNDGUKBAY-VQIMIIECSA-N 2 1 371.529 3.528 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444669984 947094602 /nfs/dbraw/zinc/09/46/02/947094602.db2.gz HRAPHVAVLGHTMS-NQIIRXRSSA-N 2 1 369.578 3.873 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1)CC1CC1 ZINC000444677582 947102855 /nfs/dbraw/zinc/10/28/55/947102855.db2.gz WSFIRVJSUIFVGM-UHFFFAOYSA-N 2 1 367.541 3.601 20 0 FHADMP CC[N@H+](CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1)CC1CC1 ZINC000444677582 947102844 /nfs/dbraw/zinc/10/28/44/947102844.db2.gz WSFIRVJSUIFVGM-UHFFFAOYSA-N 2 1 367.541 3.601 20 0 FHADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000192918777 947105027 /nfs/dbraw/zinc/10/50/27/947105027.db2.gz LPYODSNUQXVFNY-DENIHFKCSA-N 2 1 350.506 3.664 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192923559 947105870 /nfs/dbraw/zinc/10/58/70/947105870.db2.gz YJDBHSLVYXDJRG-WIYYLYMNSA-N 2 1 368.521 3.747 20 0 FHADMP CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766024 947201844 /nfs/dbraw/zinc/20/18/44/947201844.db2.gz GGGCAUBDNDMZHU-TZIWHRDSSA-N 2 1 371.569 3.524 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000475612262 947213344 /nfs/dbraw/zinc/21/33/44/947213344.db2.gz LQIFDYVBESNPKZ-CQSZACIVSA-N 2 1 352.548 3.624 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301212945 947235267 /nfs/dbraw/zinc/23/52/67/947235267.db2.gz WDPUVLDPRHJCOF-INIZCTEOSA-N 2 1 373.570 3.658 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CCC[N@H+](C)C3)c2c1C ZINC000301212945 947235276 /nfs/dbraw/zinc/23/52/76/947235276.db2.gz WDPUVLDPRHJCOF-INIZCTEOSA-N 2 1 373.570 3.658 20 0 FHADMP COc1cccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCC2)c1 ZINC000662110496 947291605 /nfs/dbraw/zinc/29/16/05/947291605.db2.gz IEAOGAXNMHJDCZ-UHFFFAOYSA-N 2 1 366.505 3.696 20 0 FHADMP COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000248876679 947300744 /nfs/dbraw/zinc/30/07/44/947300744.db2.gz MTQGQJYZCVIYQN-GUYCJALGSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000248876679 947300759 /nfs/dbraw/zinc/30/07/59/947300759.db2.gz MTQGQJYZCVIYQN-GUYCJALGSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000248876679 947300772 /nfs/dbraw/zinc/30/07/72/947300772.db2.gz MTQGQJYZCVIYQN-GUYCJALGSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000248876679 947300786 /nfs/dbraw/zinc/30/07/86/947300786.db2.gz MTQGQJYZCVIYQN-GUYCJALGSA-N 2 1 350.890 3.503 20 0 FHADMP COc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000248876679 947300800 /nfs/dbraw/zinc/30/08/00/947300800.db2.gz MTQGQJYZCVIYQN-GUYCJALGSA-N 2 1 350.890 3.503 20 0 FHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152837 947381074 /nfs/dbraw/zinc/38/10/74/947381074.db2.gz HUWJWYFDVBDVHQ-FQEVSTJZSA-N 2 1 368.521 3.658 20 0 FHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152837 947381084 /nfs/dbraw/zinc/38/10/84/947381084.db2.gz HUWJWYFDVBDVHQ-FQEVSTJZSA-N 2 1 368.521 3.658 20 0 FHADMP Brc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444853 947445886 /nfs/dbraw/zinc/44/58/86/947445886.db2.gz FAQIDPPTARJVFD-MRXNPFEDSA-N 2 1 367.331 3.636 20 0 FHADMP Brc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444853 947445888 /nfs/dbraw/zinc/44/58/88/947445888.db2.gz FAQIDPPTARJVFD-MRXNPFEDSA-N 2 1 367.331 3.636 20 0 FHADMP Brc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444851 947445906 /nfs/dbraw/zinc/44/59/06/947445906.db2.gz FAQIDPPTARJVFD-INIZCTEOSA-N 2 1 367.331 3.636 20 0 FHADMP Brc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441444851 947445909 /nfs/dbraw/zinc/44/59/09/947445909.db2.gz FAQIDPPTARJVFD-INIZCTEOSA-N 2 1 367.331 3.636 20 0 FHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000523851490 947652024 /nfs/dbraw/zinc/65/20/24/947652024.db2.gz SRHYVYZVSYGNEQ-YOEHRIQHSA-N 2 1 353.938 3.931 20 0 FHADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251896 947673806 /nfs/dbraw/zinc/67/38/06/947673806.db2.gz IGNJHRAEPKLJIF-UHFFFAOYSA-N 2 1 360.505 3.787 20 0 FHADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662290705 947713752 /nfs/dbraw/zinc/71/37/52/947713752.db2.gz IKWFADHAUCKPCE-IBGZPJMESA-N 2 1 354.498 3.511 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294184 947716764 /nfs/dbraw/zinc/71/67/64/947716764.db2.gz BTQAESLFSBRGEH-KRWDZBQOSA-N 2 1 374.916 3.644 20 0 FHADMP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298422 947720704 /nfs/dbraw/zinc/72/07/04/947720704.db2.gz WCANKADRPKGCQT-CZUORRHYSA-N 2 1 374.554 3.786 20 0 FHADMP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298422 947720715 /nfs/dbraw/zinc/72/07/15/947720715.db2.gz WCANKADRPKGCQT-CZUORRHYSA-N 2 1 374.554 3.786 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313247 947738798 /nfs/dbraw/zinc/73/87/98/947738798.db2.gz HVBHRCQEHJHSNZ-GPMSIDNRSA-N 2 1 365.587 3.791 20 0 FHADMP C[C@@H](c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325754 947750435 /nfs/dbraw/zinc/75/04/35/947750435.db2.gz JKYPYQXVFOSICJ-MAUKXSAKSA-N 2 1 358.448 3.895 20 0 FHADMP C[C@@H](c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325754 947750445 /nfs/dbraw/zinc/75/04/45/947750445.db2.gz JKYPYQXVFOSICJ-MAUKXSAKSA-N 2 1 358.448 3.895 20 0 FHADMP Fc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1F ZINC000662327182 947751708 /nfs/dbraw/zinc/75/17/08/947751708.db2.gz FJHKKXDHHIGPHU-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662343426 947757498 /nfs/dbraw/zinc/75/74/98/947757498.db2.gz QAEWNVKNUBUFOE-HXUWFJFHSA-N 2 1 369.896 3.510 20 0 FHADMP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)s1 ZINC000662327759 947758272 /nfs/dbraw/zinc/75/82/72/947758272.db2.gz UUVVTEWCULDVAB-UHFFFAOYSA-N 2 1 364.946 3.971 20 0 FHADMP Clc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326965 947758648 /nfs/dbraw/zinc/75/86/48/947758648.db2.gz BPTZODAGHXOMCM-UHFFFAOYSA-N 2 1 358.917 3.910 20 0 FHADMP Cc1ccc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327532 947760315 /nfs/dbraw/zinc/76/03/15/947760315.db2.gz QZCXONSXNMOYSK-UHFFFAOYSA-N 2 1 352.526 3.607 20 0 FHADMP C[NH2+][C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000662375667 947772766 /nfs/dbraw/zinc/77/27/66/947772766.db2.gz RBKHWYUVSMIJGI-KRWDZBQOSA-N 2 1 366.292 3.954 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344102 947807297 /nfs/dbraw/zinc/80/72/97/947807297.db2.gz OFHKEIREXISMLC-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344102 947807305 /nfs/dbraw/zinc/80/73/05/947807305.db2.gz OFHKEIREXISMLC-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344102 947807317 /nfs/dbraw/zinc/80/73/17/947807317.db2.gz OFHKEIREXISMLC-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344380 947811697 /nfs/dbraw/zinc/81/16/97/947811697.db2.gz SJQDFAWGJBZOLD-LJQANCHMSA-N 2 1 352.526 3.607 20 0 FHADMP COc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347420 947821087 /nfs/dbraw/zinc/82/10/87/947821087.db2.gz ZKBNJEVOMFVWQL-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347420 947821095 /nfs/dbraw/zinc/82/10/95/947821095.db2.gz ZKBNJEVOMFVWQL-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347420 947821104 /nfs/dbraw/zinc/82/11/04/947821104.db2.gz ZKBNJEVOMFVWQL-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000165288339 947874914 /nfs/dbraw/zinc/87/49/14/947874914.db2.gz CNIGUUSBWVFFAW-WIYYLYMNSA-N 2 1 365.521 3.860 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662526931 947895823 /nfs/dbraw/zinc/89/58/23/947895823.db2.gz NKDXBQRTCOLNNL-OVQGTLEDSA-N 2 1 369.553 3.543 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675983 947974042 /nfs/dbraw/zinc/97/40/42/947974042.db2.gz SDKJOGUNVJYVAZ-VLIAUNLRSA-N 2 1 373.447 3.835 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675983 947974043 /nfs/dbraw/zinc/97/40/43/947974043.db2.gz SDKJOGUNVJYVAZ-VLIAUNLRSA-N 2 1 373.447 3.835 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCCC1 ZINC000662694449 947984381 /nfs/dbraw/zinc/98/43/81/947984381.db2.gz WPJSCAOEGPOUNH-UHFFFAOYSA-N 2 1 369.553 3.729 20 0 FHADMP [NH3+][C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1F ZINC000662698362 947989333 /nfs/dbraw/zinc/98/93/33/947989333.db2.gz KMDLJSXLOSTPNK-HXUWFJFHSA-N 2 1 373.447 3.979 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000549612264 948013663 /nfs/dbraw/zinc/01/36/63/948013663.db2.gz ULDPOHQBJCOVGA-DUXKGJEZSA-N 2 1 358.526 3.878 20 0 FHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663463657 948049823 /nfs/dbraw/zinc/04/98/23/948049823.db2.gz ASZFHNBNVBCFEL-ZIFCJYIRSA-N 2 1 360.542 3.907 20 0 FHADMP Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000511986019 948055037 /nfs/dbraw/zinc/05/50/37/948055037.db2.gz AWKRZYRAVPNBGV-YLJYHZDGSA-N 2 1 359.539 3.771 20 0 FHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469863 948063810 /nfs/dbraw/zinc/06/38/10/948063810.db2.gz RGKCXVAMOGKZIR-FXAWDEMLSA-N 2 1 352.526 3.953 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470141 948064512 /nfs/dbraw/zinc/06/45/12/948064512.db2.gz SLPOPXNNOJIETD-AEFFLSMTSA-N 2 1 370.541 3.743 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144067 948214616 /nfs/dbraw/zinc/21/46/16/948214616.db2.gz AXELSSGYJDIYMK-MOPGFXCFSA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144067 948214628 /nfs/dbraw/zinc/21/46/28/948214628.db2.gz AXELSSGYJDIYMK-MOPGFXCFSA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144067 948214632 /nfs/dbraw/zinc/21/46/32/948214632.db2.gz AXELSSGYJDIYMK-MOPGFXCFSA-N 2 1 362.477 3.567 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000512045278 948299814 /nfs/dbraw/zinc/29/98/14/948299814.db2.gz LPIFIMFAMIZHAQ-PEOKUMBASA-N 2 1 352.469 3.705 20 0 FHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512055076 948323063 /nfs/dbraw/zinc/32/30/63/948323063.db2.gz WTYCXMLJYXFXPW-OAHLLOKOSA-N 2 1 366.431 3.713 20 0 FHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512055076 948323073 /nfs/dbraw/zinc/32/30/73/948323073.db2.gz WTYCXMLJYXFXPW-OAHLLOKOSA-N 2 1 366.431 3.713 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409733 948353059 /nfs/dbraw/zinc/35/30/59/948353059.db2.gz IMBZIFBKHKNWRW-HZPDHXFCSA-N 2 1 374.447 3.779 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416407 948369159 /nfs/dbraw/zinc/36/91/59/948369159.db2.gz GVUNXZCLVIZWML-KGLIPLIRSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416407 948369164 /nfs/dbraw/zinc/36/91/64/948369164.db2.gz GVUNXZCLVIZWML-KGLIPLIRSA-N 2 1 373.310 3.740 20 0 FHADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419204 948375092 /nfs/dbraw/zinc/37/50/92/948375092.db2.gz ZWEPRAYLXHUVBH-VQIMIIECSA-N 2 1 364.555 3.713 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(Br)c1 ZINC000278999262 948386262 /nfs/dbraw/zinc/38/62/62/948386262.db2.gz RCJARJVVVFRAHF-RYUDHWBXSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512097385 948414262 /nfs/dbraw/zinc/41/42/62/948414262.db2.gz DILUBVOJHRSWQN-GFCCVEGCSA-N 2 1 357.445 3.944 20 0 FHADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000152374878 948425921 /nfs/dbraw/zinc/42/59/21/948425921.db2.gz UTMNUSLJTYVRIK-ZDUSSCGKSA-N 2 1 358.313 3.596 20 0 FHADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000152374878 948425922 /nfs/dbraw/zinc/42/59/22/948425922.db2.gz UTMNUSLJTYVRIK-ZDUSSCGKSA-N 2 1 358.313 3.596 20 0 FHADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000152374878 948425929 /nfs/dbraw/zinc/42/59/29/948425929.db2.gz UTMNUSLJTYVRIK-ZDUSSCGKSA-N 2 1 358.313 3.596 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000279055860 948439901 /nfs/dbraw/zinc/43/99/01/948439901.db2.gz YKVJXJWLRXHVJP-QWHCGFSZSA-N 2 1 364.287 3.567 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432451424 948458520 /nfs/dbraw/zinc/45/85/20/948458520.db2.gz ZWDSMIPYEDOHMC-LPHOPBHVSA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432451424 948458525 /nfs/dbraw/zinc/45/85/25/948458525.db2.gz ZWDSMIPYEDOHMC-LPHOPBHVSA-N 2 1 366.933 3.953 20 0 FHADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000520655022 948508640 /nfs/dbraw/zinc/50/86/40/948508640.db2.gz YNJCUNIYXBPCQI-OALUTQOASA-N 2 1 374.573 3.591 20 0 FHADMP CN(C)c1nc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc[nH+]1 ZINC000524841776 516845500 /nfs/dbraw/zinc/84/55/00/516845500.db2.gz HCHCNHWOECIGDC-UHFFFAOYSA-N 2 1 359.905 3.520 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc(C)nc3C)CC2)cs1 ZINC000161778803 567967331 /nfs/dbraw/zinc/96/73/31/567967331.db2.gz WLEVILHWEPCNAF-AWEZNQCLSA-N 2 1 373.570 3.675 20 0 FHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)on1 ZINC000602518842 567986942 /nfs/dbraw/zinc/98/69/42/567986942.db2.gz QXKZACJCWGWCEU-UHFFFAOYSA-N 2 1 371.481 3.516 20 0 FHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)on1 ZINC000602518842 567986943 /nfs/dbraw/zinc/98/69/43/567986943.db2.gz QXKZACJCWGWCEU-UHFFFAOYSA-N 2 1 371.481 3.516 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602672366 568008202 /nfs/dbraw/zinc/00/82/02/568008202.db2.gz XJKSICZFRAZLHO-WSNOQYBDSA-N 2 1 368.546 3.882 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602672366 568008203 /nfs/dbraw/zinc/00/82/03/568008203.db2.gz XJKSICZFRAZLHO-WSNOQYBDSA-N 2 1 368.546 3.882 20 0 FHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1)CC(C)C ZINC000602797977 568035752 /nfs/dbraw/zinc/03/57/52/568035752.db2.gz DVOORPNQRDXSCB-MRXNPFEDSA-N 2 1 365.518 3.602 20 0 FHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1)CC(C)C ZINC000602797977 568035754 /nfs/dbraw/zinc/03/57/54/568035754.db2.gz DVOORPNQRDXSCB-MRXNPFEDSA-N 2 1 365.518 3.602 20 0 FHADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119999 568224763 /nfs/dbraw/zinc/22/47/63/568224763.db2.gz OKRCFQUIYWGGOW-DHIUTWEWSA-N 2 1 364.533 3.767 20 0 FHADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563119999 568224764 /nfs/dbraw/zinc/22/47/64/568224764.db2.gz OKRCFQUIYWGGOW-DHIUTWEWSA-N 2 1 364.533 3.767 20 0 FHADMP c1ccc([C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC000643250632 568318268 /nfs/dbraw/zinc/31/82/68/568318268.db2.gz SDFNZASPFOXABI-JOCHJYFZSA-N 2 1 368.546 3.809 20 0 FHADMP c1ccc([C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC000643250632 568318269 /nfs/dbraw/zinc/31/82/69/568318269.db2.gz SDFNZASPFOXABI-JOCHJYFZSA-N 2 1 368.546 3.809 20 0 FHADMP CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1cccc(Cl)c1 ZINC000365226334 568338887 /nfs/dbraw/zinc/33/88/87/568338887.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 2 1 361.961 3.938 20 0 FHADMP C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338888 /nfs/dbraw/zinc/33/88/88/568338888.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 2 1 361.961 3.938 20 0 FHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338889 /nfs/dbraw/zinc/33/88/89/568338889.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338890 /nfs/dbraw/zinc/33/88/90/568338890.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338891 /nfs/dbraw/zinc/33/88/91/568338891.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 2 1 361.961 3.938 20 0 FHADMP C[N@@H+](CCN1CC[NH+](CCSc2ccccc2)CC1)Cc1ccccc1 ZINC000605150645 568587691 /nfs/dbraw/zinc/58/76/91/568587691.db2.gz JSVRZIQPHLHAOS-UHFFFAOYSA-N 2 1 369.578 3.528 20 0 FHADMP C[N@H+]1CCC[C@H](CNCc2cn[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165434 568593691 /nfs/dbraw/zinc/59/36/91/568593691.db2.gz BNOLDFCUBNKKBS-NVXWUHKLSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165434 568593693 /nfs/dbraw/zinc/59/36/93/568593693.db2.gz BNOLDFCUBNKKBS-NVXWUHKLSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165434 568593695 /nfs/dbraw/zinc/59/36/95/568593695.db2.gz BNOLDFCUBNKKBS-NVXWUHKLSA-N 2 1 352.404 3.601 20 0 FHADMP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164904905 721704104 /nfs/dbraw/zinc/70/41/04/721704104.db2.gz FKYOAFNYTCZYGE-FQEVSTJZSA-N 2 1 372.463 3.831 20 0 FHADMP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164904905 721704109 /nfs/dbraw/zinc/70/41/09/721704109.db2.gz FKYOAFNYTCZYGE-FQEVSTJZSA-N 2 1 372.463 3.831 20 0 FHADMP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027681 721800728 /nfs/dbraw/zinc/80/07/28/721800728.db2.gz XGACAQNEJTUVTF-TYPHKJRUSA-N 2 1 350.510 3.830 20 0 FHADMP C[NH+](C)Cc1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995197 722210470 /nfs/dbraw/zinc/21/04/70/722210470.db2.gz HBTHSWUYRNCVCR-JOCHJYFZSA-N 2 1 368.500 3.527 20 0 FHADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000121924553 936361741 /nfs/dbraw/zinc/36/17/41/936361741.db2.gz RTGFCQHSISKZFR-SFHVURJKSA-N 2 1 374.554 3.623 20 0 FHADMP C[C@H](CC[NH2+][C@H](C)c1ccccc1-n1ccnn1)[N@@H+](C)Cc1ccccc1 ZINC000583075858 937097729 /nfs/dbraw/zinc/09/77/29/937097729.db2.gz DYHRBLDNZBUDPQ-RTBURBONSA-N 2 1 363.509 3.829 20 0 FHADMP Cc1nc2ccccn2c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579696215 927111955 /nfs/dbraw/zinc/11/19/55/927111955.db2.gz HLQHYCGGEODTPC-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579696215 927111962 /nfs/dbraw/zinc/11/19/62/927111962.db2.gz HLQHYCGGEODTPC-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579696215 927111965 /nfs/dbraw/zinc/11/19/65/927111965.db2.gz HLQHYCGGEODTPC-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579696215 927111967 /nfs/dbraw/zinc/11/19/67/927111967.db2.gz HLQHYCGGEODTPC-SFTDATJTSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000579700907 927133056 /nfs/dbraw/zinc/13/30/56/927133056.db2.gz QDTYJKWYPLVMCZ-JOCHJYFZSA-N 2 1 366.509 3.630 20 0 FHADMP [NH3+]C1(CN[C@H]2CCc3c2cc(F)cc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000643544607 927381248 /nfs/dbraw/zinc/38/12/48/927381248.db2.gz GKGQLMACHWIQKW-NRFANRHFSA-N 2 1 371.475 3.535 20 0 FHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776686 927388104 /nfs/dbraw/zinc/38/81/04/927388104.db2.gz ZNBASJDDOFADJS-YJBOKZPZSA-N 2 1 358.448 3.635 20 0 FHADMP c1cn(-c2[nH+]ccc3c2ccn3Cc2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001167057005 927653025 /nfs/dbraw/zinc/65/30/25/927653025.db2.gz RZSKZUOZLSKCMN-GOSISDBHSA-N 2 1 357.461 3.737 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3=CCCCCC3)CC2)CC1 ZINC000655001682 927807010 /nfs/dbraw/zinc/80/70/10/927807010.db2.gz GSBCRCCEHQYYJL-UHFFFAOYSA-N 2 1 361.574 3.580 20 0 FHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150818311 937226700 /nfs/dbraw/zinc/22/67/00/937226700.db2.gz VAQNUGMDLMJXKU-SFHVURJKSA-N 2 1 351.494 3.586 20 0 FHADMP CC(C)[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208605997 928239807 /nfs/dbraw/zinc/23/98/07/928239807.db2.gz DAMFBUCCMVIGOY-MOPGFXCFSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208605997 928239821 /nfs/dbraw/zinc/23/98/21/928239821.db2.gz DAMFBUCCMVIGOY-MOPGFXCFSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208605997 928239830 /nfs/dbraw/zinc/23/98/30/928239830.db2.gz DAMFBUCCMVIGOY-MOPGFXCFSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208605997 928239840 /nfs/dbraw/zinc/23/98/40/928239840.db2.gz DAMFBUCCMVIGOY-MOPGFXCFSA-N 2 1 367.578 3.828 20 0 FHADMP COc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162745329 937271523 /nfs/dbraw/zinc/27/15/23/937271523.db2.gz ZKBHNSPAECADEA-INIZCTEOSA-N 2 1 357.498 3.863 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000583282203 937313674 /nfs/dbraw/zinc/31/36/74/937313674.db2.gz HSHIIMXCYCPYPU-FUHWJXTLSA-N 2 1 357.464 3.513 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000583282203 937313675 /nfs/dbraw/zinc/31/36/75/937313675.db2.gz HSHIIMXCYCPYPU-FUHWJXTLSA-N 2 1 357.464 3.513 20 0 FHADMP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000583290410 937322920 /nfs/dbraw/zinc/32/29/20/937322920.db2.gz VDZBRDVRPLAOCN-OAHLLOKOSA-N 2 1 367.331 3.621 20 0 FHADMP CCCC[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161129 929409427 /nfs/dbraw/zinc/40/94/27/929409427.db2.gz WDPKJTLROVEZPW-ACIOBRDBSA-N 2 1 355.570 3.751 20 0 FHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161129 929409435 /nfs/dbraw/zinc/40/94/35/929409435.db2.gz WDPKJTLROVEZPW-ACIOBRDBSA-N 3 1 355.570 3.751 20 0 FHADMP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161129 929409441 /nfs/dbraw/zinc/40/94/41/929409441.db2.gz WDPKJTLROVEZPW-ACIOBRDBSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180452229 929514197 /nfs/dbraw/zinc/51/41/97/929514197.db2.gz BURQRUFNJZNCQT-UHFFFAOYSA-N 2 1 351.538 3.639 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000079992528 929591066 /nfs/dbraw/zinc/59/10/66/929591066.db2.gz CXJPIRPZITVWNE-XVAXZDLZSA-N 2 1 357.542 3.593 20 0 FHADMP Fc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1-c1cccs1 ZINC000657751565 937343675 /nfs/dbraw/zinc/34/36/75/937343675.db2.gz SANKIYTUKRWNMM-QGZVFWFLSA-N 2 1 360.498 3.897 20 0 FHADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583321997 937349374 /nfs/dbraw/zinc/34/93/74/937349374.db2.gz OSVQMZJZBDKWOS-CABCVRRESA-N 2 1 374.326 3.819 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)CC1 ZINC000683765933 930085012 /nfs/dbraw/zinc/08/50/12/930085012.db2.gz KNXDZEFZRJLEDR-UHFFFAOYSA-N 2 1 374.532 3.662 20 0 FHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc2c1CCCC2 ZINC000092821369 937391663 /nfs/dbraw/zinc/39/16/63/937391663.db2.gz CKKZWWDOEVVAJL-UHFFFAOYSA-N 2 1 354.498 3.687 20 0 FHADMP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000098081492 937396865 /nfs/dbraw/zinc/39/68/65/937396865.db2.gz CNLVVYGGHLXSNH-UHFFFAOYSA-N 2 1 352.457 3.720 20 0 FHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c1OC ZINC000580297651 930449490 /nfs/dbraw/zinc/44/94/90/930449490.db2.gz SMYPGAFUMIAIJT-HXUWFJFHSA-N 2 1 368.521 3.666 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397953582 930480063 /nfs/dbraw/zinc/48/00/63/930480063.db2.gz ASEBDTQBAZIHRB-AYWYSENESA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397953582 930480065 /nfs/dbraw/zinc/48/00/65/930480065.db2.gz ASEBDTQBAZIHRB-AYWYSENESA-N 2 1 358.526 3.609 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126647828 937427744 /nfs/dbraw/zinc/42/77/44/937427744.db2.gz WZYWZVGBSKLXOD-IFMALSPDSA-N 2 1 363.505 3.964 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126647828 937427747 /nfs/dbraw/zinc/42/77/47/937427747.db2.gz WZYWZVGBSKLXOD-IFMALSPDSA-N 2 1 363.505 3.964 20 0 FHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475092 930721483 /nfs/dbraw/zinc/72/14/83/930721483.db2.gz CLVAHDHEYUZONR-GJZGRUSLSA-N 2 1 371.447 3.887 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475092 930721487 /nfs/dbraw/zinc/72/14/87/930721487.db2.gz CLVAHDHEYUZONR-GJZGRUSLSA-N 2 1 371.447 3.887 20 0 FHADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1OC ZINC000684026361 931013215 /nfs/dbraw/zinc/01/32/15/931013215.db2.gz ZABMTSLMOCRFAN-VQIMIIECSA-N 2 1 356.466 3.921 20 0 FHADMP CC[C@@H](C)Oc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1OC ZINC000684026361 931013223 /nfs/dbraw/zinc/01/32/23/931013223.db2.gz ZABMTSLMOCRFAN-VQIMIIECSA-N 2 1 356.466 3.921 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434447 931142067 /nfs/dbraw/zinc/14/20/67/931142067.db2.gz VUOPYYXOTMNRPI-JMUQELJHSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434447 931142072 /nfs/dbraw/zinc/14/20/72/931142072.db2.gz VUOPYYXOTMNRPI-JMUQELJHSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001167434447 931142085 /nfs/dbraw/zinc/14/20/85/931142085.db2.gz VUOPYYXOTMNRPI-JMUQELJHSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001167434447 931142099 /nfs/dbraw/zinc/14/20/99/931142099.db2.gz VUOPYYXOTMNRPI-JMUQELJHSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000580895047 931310337 /nfs/dbraw/zinc/31/03/37/931310337.db2.gz PGDMEQATRLRSIZ-WIYYLYMNSA-N 2 1 357.542 3.580 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000548153675 931553006 /nfs/dbraw/zinc/55/30/06/931553006.db2.gz ZLTOUJQNHVPWGP-CQSZACIVSA-N 2 1 360.299 3.904 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@H]2CCCCO2)cc1 ZINC000656405093 931592799 /nfs/dbraw/zinc/59/27/99/931592799.db2.gz HVKVWXLCBCZXQI-BUPNWXMQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC[C@H]2CCCCO2)cc1 ZINC000656405093 931592805 /nfs/dbraw/zinc/59/28/05/931592805.db2.gz HVKVWXLCBCZXQI-BUPNWXMQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@H]2CCCCO2)cc1 ZINC000656405093 931592813 /nfs/dbraw/zinc/59/28/13/931592813.db2.gz HVKVWXLCBCZXQI-BUPNWXMQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@H]2CCCCO2)cc1 ZINC000656405093 931592820 /nfs/dbraw/zinc/59/28/20/931592820.db2.gz HVKVWXLCBCZXQI-BUPNWXMQSA-N 2 1 354.538 3.788 20 0 FHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@@H]3C[N@@H+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404508 931593824 /nfs/dbraw/zinc/59/38/24/931593824.db2.gz ZMTGICAUYSFDFN-NXYDZRKXSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4CC[C@H]3[C@@H]3C[NH+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404508 931593829 /nfs/dbraw/zinc/59/38/29/931593829.db2.gz ZMTGICAUYSFDFN-NXYDZRKXSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@@H+]3C[C@@H]4CC[C@H]3[C@@H]3C[NH+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404508 931593832 /nfs/dbraw/zinc/59/38/32/931593832.db2.gz ZMTGICAUYSFDFN-NXYDZRKXSA-N 2 1 372.516 3.905 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000581178828 931643960 /nfs/dbraw/zinc/64/39/60/931643960.db2.gz ADCOLMARCDNGGU-NUNAXRQHSA-N 2 1 355.570 3.813 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190170 931651364 /nfs/dbraw/zinc/65/13/64/931651364.db2.gz KMIAMNPBIBCODM-CTNGQTDRSA-N 2 1 356.554 3.962 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190170 931651365 /nfs/dbraw/zinc/65/13/65/931651365.db2.gz KMIAMNPBIBCODM-CTNGQTDRSA-N 2 1 356.554 3.962 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(C)c1 ZINC000581385752 931928157 /nfs/dbraw/zinc/92/81/57/931928157.db2.gz OBJRGBRUHKLRRP-QHCPKHFHSA-N 2 1 351.538 3.983 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000656537885 932029833 /nfs/dbraw/zinc/02/98/33/932029833.db2.gz IILLATISGUFMSB-BDTNDASRSA-N 2 1 362.521 3.744 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3cc(Cl)ccc3Cl)C2)CC1 ZINC000581524306 932207515 /nfs/dbraw/zinc/20/75/15/932207515.db2.gz KBBFXSOUMSGZFQ-SFHVURJKSA-N 2 1 370.368 3.636 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)CC1 ZINC000581524306 932207521 /nfs/dbraw/zinc/20/75/21/932207521.db2.gz KBBFXSOUMSGZFQ-SFHVURJKSA-N 2 1 370.368 3.636 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430611135 932255311 /nfs/dbraw/zinc/25/53/11/932255311.db2.gz NIFWXALQLHGALK-GOSISDBHSA-N 2 1 367.493 3.739 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc4nonc42)C3)cc1 ZINC001203143183 932291652 /nfs/dbraw/zinc/29/16/52/932291652.db2.gz SYAOTUJXNRYTAR-QFIPXVFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc4nonc42)C3)cc1 ZINC001203143183 932291655 /nfs/dbraw/zinc/29/16/55/932291655.db2.gz SYAOTUJXNRYTAR-QFIPXVFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143183 932291663 /nfs/dbraw/zinc/29/16/63/932291663.db2.gz SYAOTUJXNRYTAR-QFIPXVFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143183 932291669 /nfs/dbraw/zinc/29/16/69/932291669.db2.gz SYAOTUJXNRYTAR-QFIPXVFZSA-N 2 1 362.477 3.711 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC000656782382 932411072 /nfs/dbraw/zinc/41/10/72/932411072.db2.gz FPJFTKNQBMMOGO-IBGZPJMESA-N 2 1 352.526 3.607 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656783827 932420099 /nfs/dbraw/zinc/42/00/99/932420099.db2.gz AHVCGHUJTLZNDU-KRWDZBQOSA-N 2 1 368.468 3.898 20 0 FHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786598 932421082 /nfs/dbraw/zinc/42/10/82/932421082.db2.gz UZKAKGPIZJZYMO-QGZVFWFLSA-N 2 1 358.917 3.942 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656787014 932426014 /nfs/dbraw/zinc/42/60/14/932426014.db2.gz ZLTSMFUIOZJLQW-MRXNPFEDSA-N 2 1 367.331 3.669 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000581840375 932718308 /nfs/dbraw/zinc/71/83/08/932718308.db2.gz GPIYAYOTNPANGS-APWZRJJASA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000581840375 932718312 /nfs/dbraw/zinc/71/83/12/932718312.db2.gz GPIYAYOTNPANGS-APWZRJJASA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000581840375 932718317 /nfs/dbraw/zinc/71/83/17/932718317.db2.gz GPIYAYOTNPANGS-APWZRJJASA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000581840375 932718325 /nfs/dbraw/zinc/71/83/25/932718325.db2.gz GPIYAYOTNPANGS-APWZRJJASA-N 2 1 354.523 3.654 20 0 FHADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183950 932731829 /nfs/dbraw/zinc/73/18/29/932731829.db2.gz UWKDQIWZKAPLAJ-PTUXOGIPSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183950 932731834 /nfs/dbraw/zinc/73/18/34/932731834.db2.gz UWKDQIWZKAPLAJ-PTUXOGIPSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581852342 932743070 /nfs/dbraw/zinc/74/30/70/932743070.db2.gz BEGUMMOTQXWCFE-XWIAVFTESA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581852342 932743071 /nfs/dbraw/zinc/74/30/71/932743071.db2.gz BEGUMMOTQXWCFE-XWIAVFTESA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000581852342 932743077 /nfs/dbraw/zinc/74/30/77/932743077.db2.gz BEGUMMOTQXWCFE-XWIAVFTESA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581852342 932743084 /nfs/dbraw/zinc/74/30/84/932743084.db2.gz BEGUMMOTQXWCFE-XWIAVFTESA-N 2 1 356.432 3.543 20 0 FHADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000430673164 932857237 /nfs/dbraw/zinc/85/72/37/932857237.db2.gz YMZXMTPLIWHOGN-GOSISDBHSA-N 2 1 365.606 3.713 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000628134605 932962475 /nfs/dbraw/zinc/96/24/75/932962475.db2.gz WFENNPXJJOZDMQ-UHFFFAOYSA-N 2 1 354.336 3.706 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581942880 933092046 /nfs/dbraw/zinc/09/20/46/933092046.db2.gz AEGWTLXFQUINET-QFIPXVFZSA-N 2 1 363.505 3.932 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581942880 933092052 /nfs/dbraw/zinc/09/20/52/933092052.db2.gz AEGWTLXFQUINET-QFIPXVFZSA-N 2 1 363.505 3.932 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650522 933355124 /nfs/dbraw/zinc/35/51/24/933355124.db2.gz KBQJCSJLIYINBK-GOTSBHOMSA-N 2 1 372.553 3.845 20 0 FHADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000430955136 933483772 /nfs/dbraw/zinc/48/37/72/933483772.db2.gz YGZPXMBOVMJPJC-ZDUSSCGKSA-N 2 1 365.930 3.935 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796538 933735459 /nfs/dbraw/zinc/73/54/59/933735459.db2.gz JIZINIFDLYLPLX-MSOLQXFVSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796538 933735465 /nfs/dbraw/zinc/73/54/65/933735465.db2.gz JIZINIFDLYLPLX-MSOLQXFVSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796538 933735471 /nfs/dbraw/zinc/73/54/71/933735471.db2.gz JIZINIFDLYLPLX-MSOLQXFVSA-N 2 1 357.542 3.521 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823459 933806675 /nfs/dbraw/zinc/80/66/75/933806675.db2.gz BNHCLXUOVNWRQD-RBUKOAKNSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823459 933806686 /nfs/dbraw/zinc/80/66/86/933806686.db2.gz BNHCLXUOVNWRQD-RBUKOAKNSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823459 933806691 /nfs/dbraw/zinc/80/66/91/933806691.db2.gz BNHCLXUOVNWRQD-RBUKOAKNSA-N 2 1 359.558 3.910 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)cc1 ZINC000510839815 933836572 /nfs/dbraw/zinc/83/65/72/933836572.db2.gz XXDJLNPECOUQTK-RTBURBONSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000510839815 933836580 /nfs/dbraw/zinc/83/65/80/933836580.db2.gz XXDJLNPECOUQTK-RTBURBONSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000510839815 933836582 /nfs/dbraw/zinc/83/65/82/933836582.db2.gz XXDJLNPECOUQTK-RTBURBONSA-N 2 1 359.558 3.911 20 0 FHADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000276956756 934119956 /nfs/dbraw/zinc/11/99/56/934119956.db2.gz VAHMOWKZMGVCIP-UHFFFAOYSA-N 2 1 365.587 3.797 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]21 ZINC000262095760 934158443 /nfs/dbraw/zinc/15/84/43/934158443.db2.gz IJBOUKDTAUPCJG-ISTRZQFTSA-N 2 1 360.299 3.557 20 0 FHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000093693904 934166283 /nfs/dbraw/zinc/16/62/83/934166283.db2.gz AKOHURJADTWPFK-FQEVSTJZSA-N 2 1 353.510 3.824 20 0 FHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000093693904 934166286 /nfs/dbraw/zinc/16/62/86/934166286.db2.gz AKOHURJADTWPFK-FQEVSTJZSA-N 2 1 353.510 3.824 20 0 FHADMP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535682600 934272867 /nfs/dbraw/zinc/27/28/67/934272867.db2.gz ZCFNVIAGCDOYSD-FQEVSTJZSA-N 2 1 371.569 3.525 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(I)cc1 ZINC000610797509 934286279 /nfs/dbraw/zinc/28/62/79/934286279.db2.gz LMIISYHHDIUUSP-MRXNPFEDSA-N 2 1 372.294 3.816 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510987020 934467377 /nfs/dbraw/zinc/46/73/77/934467377.db2.gz QPLKEJILZIRXNN-FPOVZHCZSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510987020 934467382 /nfs/dbraw/zinc/46/73/82/934467382.db2.gz QPLKEJILZIRXNN-FPOVZHCZSA-N 2 1 352.526 3.688 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236832196 934789351 /nfs/dbraw/zinc/78/93/51/934789351.db2.gz BKNCPUIBMKOUHF-IHPCNDPISA-N 2 1 366.509 3.914 20 0 FHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 ZINC000657285327 934939364 /nfs/dbraw/zinc/93/93/64/934939364.db2.gz CTJUHISLJAVLKI-HSZRJFAPSA-N 2 1 366.505 3.609 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000511025126 934948086 /nfs/dbraw/zinc/94/80/86/934948086.db2.gz AFWMQHSHVNQVMH-MRXNPFEDSA-N 2 1 364.287 3.848 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000657296287 935001171 /nfs/dbraw/zinc/00/11/71/935001171.db2.gz GSJJSPLCFDUJJV-UHFFFAOYSA-N 2 1 366.431 3.715 20 0 FHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000472098337 935016094 /nfs/dbraw/zinc/01/60/94/935016094.db2.gz RUBASFXZBUIVMU-UHFFFAOYSA-N 2 1 374.573 3.544 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000536474719 935068604 /nfs/dbraw/zinc/06/86/04/935068604.db2.gz ADDZZUNIXDFCET-UHFFFAOYSA-N 2 1 355.461 3.675 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000536474719 935068610 /nfs/dbraw/zinc/06/86/10/935068610.db2.gz ADDZZUNIXDFCET-UHFFFAOYSA-N 2 1 355.461 3.675 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000657309417 935087337 /nfs/dbraw/zinc/08/73/37/935087337.db2.gz CGDLALVPKZMOEY-QGZVFWFLSA-N 2 1 352.526 3.962 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000119772932 935213487 /nfs/dbraw/zinc/21/34/87/935213487.db2.gz GCYSMCWCHLIFBQ-HNNXBMFYSA-N 2 1 358.486 3.746 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140532 935324570 /nfs/dbraw/zinc/32/45/70/935324570.db2.gz UWKPPBARSXMUJZ-JENIJYKNSA-N 2 1 353.514 3.571 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000582181850 935382554 /nfs/dbraw/zinc/38/25/54/935382554.db2.gz VRSKDZDIAGIAAK-LGYWMIHWSA-N 2 1 363.505 3.740 20 0 FHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548716359 935463204 /nfs/dbraw/zinc/46/32/04/935463204.db2.gz FBMDJFMMOPYCAT-OALUTQOASA-N 2 1 351.579 3.515 20 0 FHADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000519078248 945104700 /nfs/dbraw/zinc/10/47/00/945104700.db2.gz HWHBETADTYFWMO-OALUTQOASA-N 2 1 374.573 3.591 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000511785670 945109405 /nfs/dbraw/zinc/10/94/05/945109405.db2.gz MLLCOIGMEDEGAH-UHFFFAOYSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000647248824 935561432 /nfs/dbraw/zinc/56/14/32/935561432.db2.gz INHNIKLPJGQZBV-UQAQOTMJSA-N 2 1 363.549 3.757 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248824 935561439 /nfs/dbraw/zinc/56/14/39/935561439.db2.gz INHNIKLPJGQZBV-UQAQOTMJSA-N 2 1 363.549 3.757 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248824 935561445 /nfs/dbraw/zinc/56/14/45/935561445.db2.gz INHNIKLPJGQZBV-UQAQOTMJSA-N 2 1 363.549 3.757 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC)CCCCC3)CC2)CC1 ZINC000582369531 935574100 /nfs/dbraw/zinc/57/41/00/935574100.db2.gz OLGAWLSWYRACQC-UHFFFAOYSA-N 2 1 363.590 3.659 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](CC)CN1C(C)=O ZINC001167568489 935599773 /nfs/dbraw/zinc/59/97/73/935599773.db2.gz UECBRZBCVVMZHC-DHIUTWEWSA-N 2 1 371.569 3.894 20 0 FHADMP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000158526283 935619499 /nfs/dbraw/zinc/61/94/99/935619499.db2.gz RLDUXARUPUSWNA-OAHLLOKOSA-N 2 1 364.946 3.789 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657414893 935630323 /nfs/dbraw/zinc/63/03/23/935630323.db2.gz FWIDCIAHAZYKBW-NQIIRXRSSA-N 2 1 352.526 3.683 20 0 FHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000657428011 935689091 /nfs/dbraw/zinc/68/90/91/935689091.db2.gz VEFUJPQQFUWAKC-UHFFFAOYSA-N 2 1 358.432 3.895 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430241 935702444 /nfs/dbraw/zinc/70/24/44/935702444.db2.gz PCIQZDQZHCRENP-KPLVRAHFSA-N 2 1 358.526 3.597 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)[nH]c2c1 ZINC000657430565 935720103 /nfs/dbraw/zinc/72/01/03/935720103.db2.gz RGYRSTYLTPSGID-JOCHJYFZSA-N 2 1 363.505 3.723 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000509566869 945121137 /nfs/dbraw/zinc/12/11/37/945121137.db2.gz AXROSCONRZAROG-NHCUHLMSSA-N 2 1 364.537 3.942 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000509566869 945121144 /nfs/dbraw/zinc/12/11/44/945121144.db2.gz AXROSCONRZAROG-NHCUHLMSSA-N 2 1 364.537 3.942 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C1 ZINC000161289119 935760531 /nfs/dbraw/zinc/76/05/31/935760531.db2.gz DDXSCBVLQXXMAV-GOSISDBHSA-N 2 1 358.526 3.694 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161291464 935777437 /nfs/dbraw/zinc/77/74/37/935777437.db2.gz ISZUBXITYDICMA-SFHVURJKSA-N 2 1 358.526 3.694 20 0 FHADMP Clc1ccc(-c2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)on2)cc1 ZINC000125257033 935818063 /nfs/dbraw/zinc/81/80/63/935818063.db2.gz ZWVAAXUCRHGTMN-UHFFFAOYSA-N 2 1 354.841 3.712 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000516679226 945126400 /nfs/dbraw/zinc/12/64/00/945126400.db2.gz LRVOHXISRZMYGI-DYESRHJHSA-N 2 1 355.526 3.536 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc2c(c1)CCO2 ZINC000152833555 935869452 /nfs/dbraw/zinc/86/94/52/935869452.db2.gz DPLIAZXAQGWYDY-QFIPXVFZSA-N 2 1 365.521 3.764 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000158649787 935885007 /nfs/dbraw/zinc/88/50/07/935885007.db2.gz QJCLUKTTZGZWFJ-KSZLIROESA-N 2 1 359.514 3.662 20 0 FHADMP COCC[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)cc1 ZINC000152908933 935898371 /nfs/dbraw/zinc/89/83/71/935898371.db2.gz RCGFFDZCSPXNMJ-JOCHJYFZSA-N 2 1 371.500 3.595 20 0 FHADMP Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684967861 935915736 /nfs/dbraw/zinc/91/57/36/935915736.db2.gz ROTCUMDQYGMDEU-JOCHJYFZSA-N 2 1 368.525 3.622 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)CC1 ZINC000582672336 935927109 /nfs/dbraw/zinc/92/71/09/935927109.db2.gz JQVNPWFARMABQS-QFIPXVFZSA-N 2 1 371.569 3.586 20 0 FHADMP Cc1cnc(CC[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000093807411 945134049 /nfs/dbraw/zinc/13/40/49/945134049.db2.gz RHZJSQBSUUUJDI-UHFFFAOYSA-N 2 1 359.539 3.601 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000061029118 936035977 /nfs/dbraw/zinc/03/59/77/936035977.db2.gz PGPCDWFASWJTPJ-ZDUSSCGKSA-N 2 1 369.303 3.532 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000061029118 936035980 /nfs/dbraw/zinc/03/59/80/936035980.db2.gz PGPCDWFASWJTPJ-ZDUSSCGKSA-N 2 1 369.303 3.532 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657572053 936041102 /nfs/dbraw/zinc/04/11/02/936041102.db2.gz GBQWXJWBTYYBJW-SIKLNZKXSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000657572053 936041105 /nfs/dbraw/zinc/04/11/05/936041105.db2.gz GBQWXJWBTYYBJW-SIKLNZKXSA-N 2 1 364.537 3.825 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)cc2)C1 ZINC000657594540 936074231 /nfs/dbraw/zinc/07/42/31/936074231.db2.gz BJPCIJKNEWWHPF-DNVJHFABSA-N 2 1 350.506 3.679 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(Cl)c3Cl)cc2)C1 ZINC000657596897 936079590 /nfs/dbraw/zinc/07/95/90/936079590.db2.gz PELNYFTUNSHIOB-OAHLLOKOSA-N 2 1 371.333 3.911 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(Cl)c3Cl)cc2)C1 ZINC000657596897 936079594 /nfs/dbraw/zinc/07/95/94/936079594.db2.gz PELNYFTUNSHIOB-OAHLLOKOSA-N 2 1 371.333 3.911 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000657599164 936081931 /nfs/dbraw/zinc/08/19/31/936081931.db2.gz PFOZMSHJHZGRSN-RTWAWAEBSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CC1(C)C ZINC000582799734 936139679 /nfs/dbraw/zinc/13/96/79/936139679.db2.gz YBQREPYKSPBGHZ-CEWLAPEOSA-N 2 1 356.554 3.939 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)CC2)cc1 ZINC000657656940 936181596 /nfs/dbraw/zinc/18/15/96/936181596.db2.gz TYROOPAQMYUALB-UPVQGACJSA-N 2 1 364.533 3.856 20 0 FHADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657678467 936231495 /nfs/dbraw/zinc/23/14/95/936231495.db2.gz QYOVTTQYTWTVCI-JOCHJYFZSA-N 2 1 355.570 3.690 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706211 938285264 /nfs/dbraw/zinc/28/52/64/938285264.db2.gz GNJPHGKZEINCFW-KFKAGJAMSA-N 2 1 359.901 3.607 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722797 938309979 /nfs/dbraw/zinc/30/99/79/938309979.db2.gz BKYCVQXTPCKKFL-BHIYHBOVSA-N 2 1 357.523 3.671 20 0 FHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723102 938310177 /nfs/dbraw/zinc/31/01/77/938310177.db2.gz HOZVVJYVQKXWQM-CGTJXYLNSA-N 2 1 367.331 3.618 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000650723137 938310187 /nfs/dbraw/zinc/31/01/87/938310187.db2.gz HVSVSHARNSLRLK-NXHRZFHOSA-N 2 1 367.331 3.618 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@H+]1C1CC1 ZINC000657774504 938314193 /nfs/dbraw/zinc/31/41/93/938314193.db2.gz ZHPZQBATJJWEDP-HMXCVIKNSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774504 938314195 /nfs/dbraw/zinc/31/41/95/938314195.db2.gz ZHPZQBATJJWEDP-HMXCVIKNSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774504 938314197 /nfs/dbraw/zinc/31/41/97/938314197.db2.gz ZHPZQBATJJWEDP-HMXCVIKNSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774504 938314199 /nfs/dbraw/zinc/31/41/99/938314199.db2.gz ZHPZQBATJJWEDP-HMXCVIKNSA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774504 938314200 /nfs/dbraw/zinc/31/42/00/938314200.db2.gz ZHPZQBATJJWEDP-HMXCVIKNSA-N 2 1 353.554 3.504 20 0 FHADMP CN(C)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773056 938314640 /nfs/dbraw/zinc/31/46/40/938314640.db2.gz YSISYFWKFAXTEY-GOSISDBHSA-N 2 1 370.566 3.601 20 0 FHADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646811 938336484 /nfs/dbraw/zinc/33/64/84/938336484.db2.gz MDADQIFGTMSCHU-WMZOPIPTSA-N 2 1 365.949 3.541 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646811 938336485 /nfs/dbraw/zinc/33/64/85/938336485.db2.gz MDADQIFGTMSCHU-WMZOPIPTSA-N 2 1 365.949 3.541 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657778870 938348622 /nfs/dbraw/zinc/34/86/22/938348622.db2.gz WPXZPSVMYHSBOR-FUHWJXTLSA-N 2 1 352.469 3.570 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657778870 938348625 /nfs/dbraw/zinc/34/86/25/938348625.db2.gz WPXZPSVMYHSBOR-FUHWJXTLSA-N 2 1 352.469 3.570 20 0 FHADMP [NH3+]C1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCCCC1 ZINC000583752817 938390966 /nfs/dbraw/zinc/39/09/66/938390966.db2.gz DBWWQYKKQGZAKO-SFHVURJKSA-N 2 1 372.557 3.661 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000650756730 938417183 /nfs/dbraw/zinc/41/71/83/938417183.db2.gz IMYCQYSAMOZKSS-LLVKDONJSA-N 2 1 352.251 3.553 20 0 FHADMP CC[C@@H](CC(F)F)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538306 945179922 /nfs/dbraw/zinc/17/99/22/945179922.db2.gz ONQHWDZIOAATIQ-AZUAARDMSA-N 2 1 365.512 3.560 20 0 FHADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)cs2)cs1 ZINC000151367809 938532377 /nfs/dbraw/zinc/53/23/77/938532377.db2.gz IVEWAWSTUXMIGR-CYBMUJFWSA-N 2 1 365.568 3.677 20 0 FHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000151353088 938532748 /nfs/dbraw/zinc/53/27/48/938532748.db2.gz GOMGNTMRZJBLGY-IBGZPJMESA-N 2 1 368.521 3.763 20 0 FHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000151373416 938537419 /nfs/dbraw/zinc/53/74/19/938537419.db2.gz NJSWLBRWDQAQNX-GOSISDBHSA-N 2 1 354.494 3.976 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278588917 938561528 /nfs/dbraw/zinc/56/15/28/938561528.db2.gz QJXPBMMKJWCGSK-CVEARBPZSA-N 2 1 374.554 3.665 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278588917 938561529 /nfs/dbraw/zinc/56/15/29/938561529.db2.gz QJXPBMMKJWCGSK-CVEARBPZSA-N 2 1 374.554 3.665 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541683 945188900 /nfs/dbraw/zinc/18/89/00/945188900.db2.gz XNCPYKWMAKRBPF-QHCPKHFHSA-N 2 1 358.489 3.728 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657835862 938641440 /nfs/dbraw/zinc/64/14/40/938641440.db2.gz OYCSGTYTDZAIGR-HXUWFJFHSA-N 2 1 357.586 3.504 20 0 FHADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000657836727 938644155 /nfs/dbraw/zinc/64/41/55/938644155.db2.gz VNAVFWHZLVAPBQ-HXUWFJFHSA-N 2 1 351.966 3.668 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000657837961 938681371 /nfs/dbraw/zinc/68/13/71/938681371.db2.gz LBFCAVBRLFHSFC-WMZHIEFXSA-N 2 1 374.569 3.840 20 0 FHADMP Cn1cnc2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323270 938686682 /nfs/dbraw/zinc/68/66/82/938686682.db2.gz GLBRIUHNRZSIQB-RTWAWAEBSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323270 938686683 /nfs/dbraw/zinc/68/66/83/938686683.db2.gz GLBRIUHNRZSIQB-RTWAWAEBSA-N 2 1 360.505 3.527 20 0 FHADMP Cn1cnc2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323270 938686684 /nfs/dbraw/zinc/68/66/84/938686684.db2.gz GLBRIUHNRZSIQB-RTWAWAEBSA-N 2 1 360.505 3.527 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712767316 945198945 /nfs/dbraw/zinc/19/89/45/945198945.db2.gz DARJGBARYOLGQD-WOJBJXKFSA-N 2 1 358.526 3.562 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712767316 945198950 /nfs/dbraw/zinc/19/89/50/945198950.db2.gz DARJGBARYOLGQD-WOJBJXKFSA-N 2 1 358.526 3.562 20 0 FHADMP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000089512797 938865102 /nfs/dbraw/zinc/86/51/02/938865102.db2.gz KDYHZVNXBCIDCQ-UHFFFAOYSA-N 2 1 361.549 3.685 20 0 FHADMP Fc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000089552280 938865744 /nfs/dbraw/zinc/86/57/44/938865744.db2.gz KPLMTIQTSMTTCK-UHFFFAOYSA-N 2 1 360.448 3.640 20 0 FHADMP CC[C@H](C[NH2+]C1CC[NH+](CCOC)CC1)Oc1ccccc1C(F)(F)F ZINC000090230978 938872786 /nfs/dbraw/zinc/87/27/86/938872786.db2.gz VYXDWXHUUYECST-MRXNPFEDSA-N 2 1 374.447 3.563 20 0 FHADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753539 938883167 /nfs/dbraw/zinc/88/31/67/938883167.db2.gz ADCLEQZGJLVVPP-DFNIBXOVSA-N 2 1 365.562 3.581 20 0 FHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375753539 938883169 /nfs/dbraw/zinc/88/31/69/938883169.db2.gz ADCLEQZGJLVVPP-DFNIBXOVSA-N 2 1 365.562 3.581 20 0 FHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375753539 938883170 /nfs/dbraw/zinc/88/31/70/938883170.db2.gz ADCLEQZGJLVVPP-DFNIBXOVSA-N 2 1 365.562 3.581 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000090974875 938885240 /nfs/dbraw/zinc/88/52/40/938885240.db2.gz ZYCPWGABYPRHOO-GOSISDBHSA-N 2 1 356.432 3.857 20 0 FHADMP CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000091166887 938892832 /nfs/dbraw/zinc/89/28/32/938892832.db2.gz AXCHSKYFLMTVOC-UHFFFAOYSA-N 2 1 369.513 3.614 20 0 FHADMP CC[N@H+]1CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000091166887 938892838 /nfs/dbraw/zinc/89/28/38/938892838.db2.gz AXCHSKYFLMTVOC-UHFFFAOYSA-N 2 1 369.513 3.614 20 0 FHADMP CC(C)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000091284263 938899168 /nfs/dbraw/zinc/89/91/68/938899168.db2.gz FIKUHDHVWOPFCG-PKTZIBPZSA-N 2 1 366.553 3.747 20 0 FHADMP C[C@@]1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCC[NH2+]C1 ZINC000414900734 945219813 /nfs/dbraw/zinc/21/98/13/945219813.db2.gz IQOSFXWJKUBQFR-OAHLLOKOSA-N 2 1 363.246 3.530 20 0 FHADMP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067015 938910391 /nfs/dbraw/zinc/91/03/91/938910391.db2.gz BEAMWHXXHFCXGS-DNVCBOLYSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067015 938910394 /nfs/dbraw/zinc/91/03/94/938910394.db2.gz BEAMWHXXHFCXGS-DNVCBOLYSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092067015 938910396 /nfs/dbraw/zinc/91/03/96/938910396.db2.gz BEAMWHXXHFCXGS-DNVCBOLYSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092067015 938910397 /nfs/dbraw/zinc/91/03/97/938910397.db2.gz BEAMWHXXHFCXGS-DNVCBOLYSA-N 2 1 354.523 3.654 20 0 FHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737112 938937048 /nfs/dbraw/zinc/93/70/48/938937048.db2.gz VTFYEPVHBKCAFM-HNNXBMFYSA-N 2 1 371.447 3.698 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737112 938937050 /nfs/dbraw/zinc/93/70/50/938937050.db2.gz VTFYEPVHBKCAFM-HNNXBMFYSA-N 2 1 371.447 3.698 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737112 938937052 /nfs/dbraw/zinc/93/70/52/938937052.db2.gz VTFYEPVHBKCAFM-HNNXBMFYSA-N 2 1 371.447 3.698 20 0 FHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885713 938971154 /nfs/dbraw/zinc/97/11/54/938971154.db2.gz GZXYXOFSQFQMSE-IERDGZPVSA-N 2 1 367.518 3.584 20 0 FHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885713 938971156 /nfs/dbraw/zinc/97/11/56/938971156.db2.gz GZXYXOFSQFQMSE-IERDGZPVSA-N 2 1 367.518 3.584 20 0 FHADMP O[C@@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000511271678 938977934 /nfs/dbraw/zinc/97/79/34/938977934.db2.gz MHRARGPKHAVNHT-OBFZPWGMSA-N 2 1 370.924 3.813 20 0 FHADMP O[C@@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000511271678 938977935 /nfs/dbraw/zinc/97/79/35/938977935.db2.gz MHRARGPKHAVNHT-OBFZPWGMSA-N 2 1 370.924 3.813 20 0 FHADMP CCc1oc2ccccc2c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457842 938987993 /nfs/dbraw/zinc/98/79/93/938987993.db2.gz PRTRVBVOQVPVDN-SFHVURJKSA-N 2 1 355.526 3.596 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000685463138 938988695 /nfs/dbraw/zinc/98/86/95/938988695.db2.gz OWNSXTCHYUZBTH-ZDUSSCGKSA-N 2 1 373.285 3.891 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000685463138 938988696 /nfs/dbraw/zinc/98/86/96/938988696.db2.gz OWNSXTCHYUZBTH-ZDUSSCGKSA-N 2 1 373.285 3.891 20 0 FHADMP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000093364876 938995337 /nfs/dbraw/zinc/99/53/37/938995337.db2.gz BQJKEBOCTQIMRZ-LJQANCHMSA-N 2 1 359.539 3.901 20 0 FHADMP CC(C)(O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000382313941 938997684 /nfs/dbraw/zinc/99/76/84/938997684.db2.gz OVQCLONSZORNOR-OAQYLSRUSA-N 2 1 352.522 3.916 20 0 FHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658028325 939018669 /nfs/dbraw/zinc/01/86/69/939018669.db2.gz CEDMBYVEPYFSRD-OOKSDGMUSA-N 2 1 351.332 3.985 20 0 FHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137053 939030412 /nfs/dbraw/zinc/03/04/12/939030412.db2.gz IRBXXWOCLRFUOE-AGHHOFFYSA-N 2 1 350.506 3.900 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142790 939035530 /nfs/dbraw/zinc/03/55/30/939035530.db2.gz WMZJVIIGHDVEQC-FYYLOGMGSA-N 2 1 350.506 3.811 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC(F)(F)CC1 ZINC000658142902 939035612 /nfs/dbraw/zinc/03/56/12/939035612.db2.gz ZTNOSRIZHLOMSJ-KXBFYZLASA-N 2 1 352.469 3.557 20 0 FHADMP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137192 939040798 /nfs/dbraw/zinc/04/07/98/939040798.db2.gz JROHRFZNJFSHKS-UTKZUKDTSA-N 2 1 370.562 3.696 20 0 FHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138727 939041609 /nfs/dbraw/zinc/04/16/09/939041609.db2.gz KCCJOPRDKXAOFC-JTSKRJEESA-N 2 1 356.485 3.503 20 0 FHADMP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658138348 939042227 /nfs/dbraw/zinc/04/22/27/939042227.db2.gz JFTFSMOQGLDGFU-UYAOXDASSA-N 2 1 354.494 3.650 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138107 939042418 /nfs/dbraw/zinc/04/24/18/939042418.db2.gz MSJDGFUHFVZMCJ-LAUBAEHRSA-N 2 1 361.489 3.652 20 0 FHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCC2)o1 ZINC000658140922 939043309 /nfs/dbraw/zinc/04/33/09/939043309.db2.gz VXVGJQVPUIXKTH-RBBKRZOGSA-N 2 1 354.494 3.786 20 0 FHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCC2)o1 ZINC000658140926 939043419 /nfs/dbraw/zinc/04/34/19/939043419.db2.gz VXVGJQVPUIXKTH-UNMCSNQZSA-N 2 1 354.494 3.786 20 0 FHADMP CCC([NH3+])(CC)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414900772 945223090 /nfs/dbraw/zinc/22/30/90/945223090.db2.gz IYHIWTWFETXWBC-UHFFFAOYSA-N 2 1 357.502 3.694 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658227398 939073984 /nfs/dbraw/zinc/07/39/84/939073984.db2.gz AVABJEHNMKFYJR-OTQYULQBSA-N 2 1 367.537 3.816 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658227398 939073989 /nfs/dbraw/zinc/07/39/89/939073989.db2.gz AVABJEHNMKFYJR-OTQYULQBSA-N 2 1 367.537 3.816 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511828529 945225071 /nfs/dbraw/zinc/22/50/71/945225071.db2.gz YESCAEPZHVBEFG-ZRBLBEILSA-N 2 1 355.570 3.671 20 0 FHADMP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000658230304 939075287 /nfs/dbraw/zinc/07/52/87/939075287.db2.gz XSPMQVBTLIJDTK-SFHVURJKSA-N 2 1 363.496 3.930 20 0 FHADMP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000658230304 939075291 /nfs/dbraw/zinc/07/52/91/939075291.db2.gz XSPMQVBTLIJDTK-SFHVURJKSA-N 2 1 363.496 3.930 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 ZINC000658236348 939078264 /nfs/dbraw/zinc/07/82/64/939078264.db2.gz SLLCAOBWXNVGTR-SAWYMBPVSA-N 2 1 363.509 3.976 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295814 939101574 /nfs/dbraw/zinc/10/15/74/939101574.db2.gz OPMCEPSBSFSROM-UWJYYQICSA-N 2 1 353.510 3.697 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295812 939101726 /nfs/dbraw/zinc/10/17/26/939101726.db2.gz OPMCEPSBSFSROM-UTKZUKDTSA-N 2 1 353.510 3.697 20 0 FHADMP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318271 939109818 /nfs/dbraw/zinc/10/98/18/939109818.db2.gz OQFSOUMRWNOYBW-WOJBJXKFSA-N 2 1 350.510 3.610 20 0 FHADMP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318271 939109820 /nfs/dbraw/zinc/10/98/20/939109820.db2.gz OQFSOUMRWNOYBW-WOJBJXKFSA-N 2 1 350.510 3.610 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319444 939111203 /nfs/dbraw/zinc/11/12/03/939111203.db2.gz AWBXWBOIGIYVEY-PZJWPPBQSA-N 2 1 364.537 3.689 20 0 FHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367536 939140888 /nfs/dbraw/zinc/14/08/88/939140888.db2.gz ICADYVIOJLCNGN-WOJBJXKFSA-N 2 1 354.494 3.573 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414900909 945231980 /nfs/dbraw/zinc/23/19/80/945231980.db2.gz FLSLNVZOFMDSNW-AEFFLSMTSA-N 2 1 369.513 3.694 20 0 FHADMP CCCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(C)n1 ZINC000507497021 945268332 /nfs/dbraw/zinc/26/83/32/945268332.db2.gz QKJYPFNPMHYXGN-YMPZKCBVSA-N 2 1 366.553 3.992 20 0 FHADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507488324 945274785 /nfs/dbraw/zinc/27/47/85/945274785.db2.gz UHUQNJKVBPBHGJ-KEZOAJOQSA-N 2 1 364.533 3.783 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(C)nn(C)c1C ZINC000507493365 945278238 /nfs/dbraw/zinc/27/82/38/945278238.db2.gz HLGJFFHKWCWSKK-MYGLTJDJSA-N 2 1 366.553 3.988 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(C)nn(C)c1C ZINC000507493362 945278291 /nfs/dbraw/zinc/27/82/91/945278291.db2.gz HLGJFFHKWCWSKK-LNRXMEIDSA-N 2 1 366.553 3.988 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000506040040 945281457 /nfs/dbraw/zinc/28/14/57/945281457.db2.gz HDKMRIXNZVQUEU-JOCHJYFZSA-N 2 1 352.526 3.504 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507508245 945287715 /nfs/dbraw/zinc/28/77/15/945287715.db2.gz JHQSITUYCKCNHE-NNWRFLSQSA-N 2 1 360.505 3.606 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000375892645 940025542 /nfs/dbraw/zinc/02/55/42/940025542.db2.gz ZDWSAAGWIFOAJY-ONTIZHBOSA-N 2 1 351.494 3.590 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548932281 940087658 /nfs/dbraw/zinc/08/76/58/940087658.db2.gz YMZPHFKEKKOMGO-IBGZPJMESA-N 2 1 360.542 3.999 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548932281 940087662 /nfs/dbraw/zinc/08/76/62/940087662.db2.gz YMZPHFKEKKOMGO-IBGZPJMESA-N 2 1 360.542 3.999 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000507536270 945295532 /nfs/dbraw/zinc/29/55/32/945295532.db2.gz WLXJOJWILQQYKX-FVTFTPSCSA-N 2 1 356.554 3.675 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000415009534 945305416 /nfs/dbraw/zinc/30/54/16/945305416.db2.gz UFDQQARUGCKPAH-BEFAXECRSA-N 2 1 372.875 3.610 20 0 FHADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000570412206 940294834 /nfs/dbraw/zinc/29/48/34/940294834.db2.gz VRNBYJHFFGATKW-LEWJYISDSA-N 2 1 366.480 3.916 20 0 FHADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000570412206 940294836 /nfs/dbraw/zinc/29/48/36/940294836.db2.gz VRNBYJHFFGATKW-LEWJYISDSA-N 2 1 366.480 3.916 20 0 FHADMP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC[C@H]1[NH3+] ZINC000647497819 940377308 /nfs/dbraw/zinc/37/73/08/940377308.db2.gz WKVGCZSRZGCCQE-OXJNMPFZSA-N 2 1 360.933 3.761 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC[C@H]1[NH3+] ZINC000647497819 940377313 /nfs/dbraw/zinc/37/73/13/940377313.db2.gz WKVGCZSRZGCCQE-OXJNMPFZSA-N 2 1 360.933 3.761 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647497779 940377459 /nfs/dbraw/zinc/37/74/59/940377459.db2.gz VDSWRQPHDIVFOJ-OXQOHEQNSA-N 2 1 370.541 3.873 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749833 940467373 /nfs/dbraw/zinc/46/73/73/940467373.db2.gz FAJKPYGWXNBFJK-SBHAEUEKSA-N 2 1 363.590 3.658 20 0 FHADMP CC1CC[NH+](Cc2cccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000431779141 940492918 /nfs/dbraw/zinc/49/29/18/940492918.db2.gz QVGVRRLKFWUDPY-QFIPXVFZSA-N 2 1 371.569 3.799 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccco1 ZINC000431783665 940498085 /nfs/dbraw/zinc/49/80/85/940498085.db2.gz UTIHMZVRCKSDHS-RBUKOAKNSA-N 2 1 361.530 3.576 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccco1 ZINC000431783666 940498112 /nfs/dbraw/zinc/49/81/12/940498112.db2.gz UTIHMZVRCKSDHS-RTBURBONSA-N 2 1 361.530 3.576 20 0 FHADMP c1ccc([C@H]2CCC[NH+](CCC[N@@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628259 945327592 /nfs/dbraw/zinc/32/75/92/945327592.db2.gz ROOYXAOHTZOWBS-SFTDATJTSA-N 2 1 364.537 3.926 20 0 FHADMP c1ccc([C@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628259 945327601 /nfs/dbraw/zinc/32/76/01/945327601.db2.gz ROOYXAOHTZOWBS-SFTDATJTSA-N 2 1 364.537 3.926 20 0 FHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414115108 940602254 /nfs/dbraw/zinc/60/22/54/940602254.db2.gz MOAJIVNZOSVCHN-KRWDZBQOSA-N 2 1 372.582 3.734 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431803224 940608624 /nfs/dbraw/zinc/60/86/24/940608624.db2.gz XENZSXUXTHJQIY-QFIPXVFZSA-N 2 1 371.569 3.943 20 0 FHADMP COc1ccc(C[NH+](C)C/C=C\C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000613351364 940623504 /nfs/dbraw/zinc/62/35/04/940623504.db2.gz GEYNRICUNBXDOA-WAYWQWQTSA-N 2 1 354.494 3.824 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000414132736 940641380 /nfs/dbraw/zinc/64/13/80/940641380.db2.gz ZVMAGRFPGZPFNE-ROUUACIJSA-N 2 1 353.510 3.836 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000414132735 940641410 /nfs/dbraw/zinc/64/14/10/940641410.db2.gz ZVMAGRFPGZPFNE-QZTJIDSGSA-N 2 1 353.510 3.836 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414130790 940644002 /nfs/dbraw/zinc/64/40/02/940644002.db2.gz WWHXHZHRKCPOGR-IHPCNDPISA-N 2 1 350.934 3.803 20 0 FHADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@H]1CCCC[NH+]1C ZINC000173946499 940689204 /nfs/dbraw/zinc/68/92/04/940689204.db2.gz ZLHFHWZGZJPQAB-QGZVFWFLSA-N 2 1 362.905 3.739 20 0 FHADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@H]1CCCC[NH+]1C ZINC000173946499 940689206 /nfs/dbraw/zinc/68/92/06/940689206.db2.gz ZLHFHWZGZJPQAB-QGZVFWFLSA-N 2 1 362.905 3.739 20 0 FHADMP C[NH+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@H]1CCCC[N@@H+]1C ZINC000173946499 940689209 /nfs/dbraw/zinc/68/92/09/940689209.db2.gz ZLHFHWZGZJPQAB-QGZVFWFLSA-N 2 1 362.905 3.739 20 0 FHADMP C[NH+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@H]1CCCC[N@H+]1C ZINC000173946499 940689211 /nfs/dbraw/zinc/68/92/11/940689211.db2.gz ZLHFHWZGZJPQAB-QGZVFWFLSA-N 2 1 362.905 3.739 20 0 FHADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168367 940703991 /nfs/dbraw/zinc/70/39/91/940703991.db2.gz ACDZFIAOHMXSNY-HOCLYGCPSA-N 2 1 361.921 3.612 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000414172451 940708481 /nfs/dbraw/zinc/70/84/81/940708481.db2.gz FERHPQIPOJCDBH-UONOGXRCSA-N 2 1 355.320 3.840 20 0 FHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000414195903 940745091 /nfs/dbraw/zinc/74/50/91/940745091.db2.gz VDXADMGORSAGAY-ZIAGYGMSSA-N 2 1 372.294 3.674 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414205713 940764954 /nfs/dbraw/zinc/76/49/54/940764954.db2.gz HVPXLRMTMIYGGP-KSEOMHKRSA-N 2 1 352.526 3.683 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414205713 940764957 /nfs/dbraw/zinc/76/49/57/940764957.db2.gz HVPXLRMTMIYGGP-KSEOMHKRSA-N 2 1 352.526 3.683 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000613491365 940768775 /nfs/dbraw/zinc/76/87/75/940768775.db2.gz PHCUTJMHQLZLPB-UHFFFAOYSA-N 2 1 357.542 3.558 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000613491365 940768778 /nfs/dbraw/zinc/76/87/78/940768778.db2.gz PHCUTJMHQLZLPB-UHFFFAOYSA-N 2 1 357.542 3.558 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000613491365 940768782 /nfs/dbraw/zinc/76/87/82/940768782.db2.gz PHCUTJMHQLZLPB-UHFFFAOYSA-N 2 1 357.542 3.558 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000613492361 940776056 /nfs/dbraw/zinc/77/60/56/940776056.db2.gz JUDDWOQGIGDFCR-LJQANCHMSA-N 2 1 371.569 3.798 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000549037075 940787995 /nfs/dbraw/zinc/78/79/95/940787995.db2.gz CLGDYEGRLOJICQ-UHFFFAOYSA-N 2 1 371.569 3.867 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414224665 940798270 /nfs/dbraw/zinc/79/82/70/940798270.db2.gz SJHMFKBRWJRXKL-PKTZIBPZSA-N 2 1 350.506 3.596 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1 ZINC000892571930 940806369 /nfs/dbraw/zinc/80/63/69/940806369.db2.gz RYIMSUHXPICURF-KRWDZBQOSA-N 2 1 352.526 3.962 20 0 FHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000414274301 940872956 /nfs/dbraw/zinc/87/29/56/940872956.db2.gz UPEWZNOUVBMDBH-SYYKKAFVSA-N 2 1 353.510 3.578 20 0 FHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000414274301 940872959 /nfs/dbraw/zinc/87/29/59/940872959.db2.gz UPEWZNOUVBMDBH-SYYKKAFVSA-N 2 1 353.510 3.578 20 0 FHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000414311340 940942737 /nfs/dbraw/zinc/94/27/37/940942737.db2.gz MNSGTFKIJSFBJW-ROUUACIJSA-N 2 1 352.526 3.807 20 0 FHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OCc2ccccn2)c1 ZINC000892632109 941043072 /nfs/dbraw/zinc/04/30/72/941043072.db2.gz RRIWHGDVZNGCOQ-BRIRTLKKSA-N 2 1 351.494 3.936 20 0 FHADMP C[N@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1c1ccccc1 ZINC000423527022 941124609 /nfs/dbraw/zinc/12/46/09/941124609.db2.gz LXGKAJYFOYOYCM-BPDBVFAESA-N 2 1 353.554 3.565 20 0 FHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000377300058 941128366 /nfs/dbraw/zinc/12/83/66/941128366.db2.gz SSCLILHSACHHOP-KURKYZTESA-N 2 1 356.432 3.598 20 0 FHADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000166491094 941246708 /nfs/dbraw/zinc/24/67/08/941246708.db2.gz IETCVXDZRMNNGP-ZWKOTPCHSA-N 2 1 365.562 3.821 20 0 FHADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000311597838 941337253 /nfs/dbraw/zinc/33/72/53/941337253.db2.gz SHYQFARBUSCOBQ-QFIPXVFZSA-N 2 1 350.506 3.708 20 0 FHADMP C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376639037 941370178 /nfs/dbraw/zinc/37/01/78/941370178.db2.gz ZOHCZWPHHIAFSN-MBSDFSHPSA-N 2 1 361.533 3.714 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)c(C)n2n1 ZINC000376804964 941435259 /nfs/dbraw/zinc/43/52/59/941435259.db2.gz APWRINSIJMKPFJ-DKICVRJWSA-N 2 1 369.538 3.751 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)c(C)n2n1 ZINC000376804964 941435262 /nfs/dbraw/zinc/43/52/62/941435262.db2.gz APWRINSIJMKPFJ-DKICVRJWSA-N 2 1 369.538 3.751 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000376832045 941443495 /nfs/dbraw/zinc/44/34/95/941443495.db2.gz UIBXLYKQUQFVQL-MJEQTWJJSA-N 2 1 353.388 3.941 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832529 941443524 /nfs/dbraw/zinc/44/35/24/941443524.db2.gz VWMSINIIVBCYTO-KNBMTAEXSA-N 2 1 367.522 3.672 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832529 941443526 /nfs/dbraw/zinc/44/35/26/941443526.db2.gz VWMSINIIVBCYTO-KNBMTAEXSA-N 2 1 367.522 3.672 20 0 FHADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164743 941567727 /nfs/dbraw/zinc/56/77/27/941567727.db2.gz HAWLFXGGVQFLHQ-OAQYLSRUSA-N 2 1 366.505 3.864 20 0 FHADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164743 941567730 /nfs/dbraw/zinc/56/77/30/941567730.db2.gz HAWLFXGGVQFLHQ-OAQYLSRUSA-N 2 1 366.505 3.864 20 0 FHADMP C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000415054873 941574636 /nfs/dbraw/zinc/57/46/36/941574636.db2.gz NYICXUFOVPSOCT-MNNVXMFVSA-N 2 1 369.475 3.615 20 0 FHADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OCc1cccs1 ZINC000415067471 941582938 /nfs/dbraw/zinc/58/29/38/941582938.db2.gz PMOZXBVBPIGVQY-GOSISDBHSA-N 2 1 360.523 3.943 20 0 FHADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415078270 941587872 /nfs/dbraw/zinc/58/78/72/941587872.db2.gz GHOFUZHCDVKFPZ-LEWJYISDSA-N 2 1 365.521 3.747 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000415081210 941591944 /nfs/dbraw/zinc/59/19/44/941591944.db2.gz KKWGTIVLVIVGFM-WEYGHZABSA-N 2 1 363.505 3.957 20 0 FHADMP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415083534 941592780 /nfs/dbraw/zinc/59/27/80/941592780.db2.gz NPIYRHWRXVBTDE-UXHICEINSA-N 2 1 354.494 3.719 20 0 FHADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415086721 941596668 /nfs/dbraw/zinc/59/66/68/941596668.db2.gz KBLUZKJVDOSVGF-SFHVURJKSA-N 2 1 355.482 3.894 20 0 FHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000415088951 941597980 /nfs/dbraw/zinc/59/79/80/941597980.db2.gz YGVMYIGRWHEHCG-XLIONFOSSA-N 2 1 366.509 3.734 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415102492 941605120 /nfs/dbraw/zinc/60/51/20/941605120.db2.gz DUBLJSCYLPHATJ-FUHWJXTLSA-N 2 1 373.324 3.720 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415129331 941623115 /nfs/dbraw/zinc/62/31/15/941623115.db2.gz PGRDCMLWVXJSHN-AEFFLSMTSA-N 2 1 370.541 3.730 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415130104 941623545 /nfs/dbraw/zinc/62/35/45/941623545.db2.gz QJLBRWLQYCXHPP-SJLPKXTDSA-N 2 1 373.324 3.720 20 0 FHADMP Cc1csc([C@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000892856708 941624195 /nfs/dbraw/zinc/62/41/95/941624195.db2.gz MSPMMQWEZCYBAU-INIZCTEOSA-N 2 1 358.555 3.833 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235784 941693117 /nfs/dbraw/zinc/69/31/17/941693117.db2.gz NSQQVKNOICEWLJ-KGZUAYNTSA-N 2 1 364.533 3.651 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235784 941693118 /nfs/dbraw/zinc/69/31/18/941693118.db2.gz NSQQVKNOICEWLJ-KGZUAYNTSA-N 2 1 364.533 3.651 20 0 FHADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404231 941698146 /nfs/dbraw/zinc/69/81/46/941698146.db2.gz PMBPOKWZSZNWHW-FPOVZHCZSA-N 2 1 374.550 3.694 20 0 FHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000729267958 941705480 /nfs/dbraw/zinc/70/54/80/941705480.db2.gz BNFCPSJFJCFHBC-SFHVURJKSA-N 2 1 365.562 3.584 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000894209175 941707986 /nfs/dbraw/zinc/70/79/86/941707986.db2.gz PHQMDDXRZRWLJK-SFHVURJKSA-N 2 1 350.466 3.533 20 0 FHADMP C[N@H+]1CCC[C@H](N2CCN(Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000261441436 941755880 /nfs/dbraw/zinc/75/58/80/941755880.db2.gz MWSMGWCYBZKTEO-HNNXBMFYSA-N 2 1 363.958 3.767 20 0 FHADMP C[C@@H](CC[NH2+]C1CCN(c2nccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000513330203 941855813 /nfs/dbraw/zinc/85/58/13/941855813.db2.gz JQXRYUGDZYNEPL-KRWDZBQOSA-N 2 1 358.555 3.612 20 0 FHADMP CN1CCN([C@@H]2CCCC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692872 941905957 /nfs/dbraw/zinc/90/59/57/941905957.db2.gz GZZPHORAADSWHG-DNVJHFABSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692872 941905958 /nfs/dbraw/zinc/90/59/58/941905958.db2.gz GZZPHORAADSWHG-DNVJHFABSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692872 941905961 /nfs/dbraw/zinc/90/59/61/941905961.db2.gz GZZPHORAADSWHG-DNVJHFABSA-N 2 1 355.570 3.599 20 0 FHADMP CC[NH+](CC)Cc1ccccc1-c1noc([C@H]2CCCc3[nH+]ccn32)n1 ZINC000377735822 941949404 /nfs/dbraw/zinc/94/94/04/941949404.db2.gz FATQKHCVDXXLII-QGZVFWFLSA-N 2 1 351.454 3.701 20 0 FHADMP CCn1nc(C)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513501416 941973530 /nfs/dbraw/zinc/97/35/30/941973530.db2.gz SUJNSBIQTJXNRC-DYESRHJHSA-N 2 1 354.542 3.910 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@H+]1Cc1ccccc1 ZINC000513502462 941974228 /nfs/dbraw/zinc/97/42/28/941974228.db2.gz ZYZYHUDIJWSVJN-HKUYNNGSSA-N 2 1 352.478 3.806 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000513510735 941982660 /nfs/dbraw/zinc/98/26/60/941982660.db2.gz FWCSFWCQHZEDIV-AEFFLSMTSA-N 2 1 358.555 3.599 20 0 FHADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000377809170 942005235 /nfs/dbraw/zinc/00/52/35/942005235.db2.gz MEJDLHAIECCKBZ-LJQANCHMSA-N 2 1 354.498 3.545 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000377817053 942010458 /nfs/dbraw/zinc/01/04/58/942010458.db2.gz OVJLDXRMHRNDFR-VQTJNVASSA-N 2 1 366.509 3.629 20 0 FHADMP CCOc1cccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377907475 942064517 /nfs/dbraw/zinc/06/45/17/942064517.db2.gz IREAWKWZUKEIDM-UHFFFAOYSA-N 2 1 353.510 3.619 20 0 FHADMP CCOc1cccc(CN(C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000377907475 942064525 /nfs/dbraw/zinc/06/45/25/942064525.db2.gz IREAWKWZUKEIDM-UHFFFAOYSA-N 2 1 353.510 3.619 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1OC(F)F ZINC000513679024 942078653 /nfs/dbraw/zinc/07/86/53/942078653.db2.gz TXCFAGLHVWACCV-XHSDSOJGSA-N 2 1 354.441 3.649 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1OC(F)F ZINC000513679022 942078870 /nfs/dbraw/zinc/07/88/70/942078870.db2.gz TXCFAGLHVWACCV-OAGGEKHMSA-N 2 1 354.441 3.649 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415926948 942163963 /nfs/dbraw/zinc/16/39/63/942163963.db2.gz BZLXYIHMUIUMAK-ZWKOTPCHSA-N 2 1 366.509 3.533 20 0 FHADMP CCN(C(=O)Nc1cccc(C[NH2+]C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415939142 942170192 /nfs/dbraw/zinc/17/01/92/942170192.db2.gz ZZNVXCBISQPRHI-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659878039 942183253 /nfs/dbraw/zinc/18/32/53/942183253.db2.gz YAMQWGAAKOKFEF-LJQANCHMSA-N 2 1 361.555 3.542 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000415967684 942213359 /nfs/dbraw/zinc/21/33/59/942213359.db2.gz BTHMIKKWZHUVKB-PKOBYXMFSA-N 2 1 358.530 3.524 20 0 FHADMP CCN(C(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415984155 942232891 /nfs/dbraw/zinc/23/28/91/942232891.db2.gz OWPTVRJRDHFBPP-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000415985712 942234976 /nfs/dbraw/zinc/23/49/76/942234976.db2.gz TZBMBLLVCMBEEU-NRFANRHFSA-N 2 1 368.525 3.684 20 0 FHADMP c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420929146 942258969 /nfs/dbraw/zinc/25/89/69/942258969.db2.gz CMUWNBXEKTZGRM-HSZRJFAPSA-N 2 1 365.521 3.595 20 0 FHADMP c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420929146 942258971 /nfs/dbraw/zinc/25/89/71/942258971.db2.gz CMUWNBXEKTZGRM-HSZRJFAPSA-N 2 1 365.521 3.595 20 0 FHADMP OCc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000651285454 942280149 /nfs/dbraw/zinc/28/01/49/942280149.db2.gz NVWFNLSTOFIPIE-RBZQAINGSA-N 2 1 364.533 3.754 20 0 FHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986435 942282576 /nfs/dbraw/zinc/28/25/76/942282576.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 2 1 365.512 3.908 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(C)C)nc3C)CC2)CC1 ZINC000420980412 942289102 /nfs/dbraw/zinc/28/91/02/942289102.db2.gz LMMOMRFODHTLFE-UHFFFAOYSA-N 2 1 358.574 3.505 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1)C1CCOCC1 ZINC000502272458 942324520 /nfs/dbraw/zinc/32/45/20/942324520.db2.gz HQGBDGONKABYAQ-PTUXOGIPSA-N 2 1 372.553 3.845 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335298 /nfs/dbraw/zinc/33/52/98/942335298.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335302 /nfs/dbraw/zinc/33/53/02/942335302.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335308 /nfs/dbraw/zinc/33/53/08/942335308.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 2 1 355.570 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335314 /nfs/dbraw/zinc/33/53/14/942335314.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 3 1 355.570 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335318 /nfs/dbraw/zinc/33/53/18/942335318.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335323 /nfs/dbraw/zinc/33/53/23/942335323.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335327 /nfs/dbraw/zinc/33/53/27/942335327.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 3 1 355.570 3.751 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502334532 942366533 /nfs/dbraw/zinc/36/65/33/942366533.db2.gz UGLUWHPGCPDGJM-UHFFFAOYSA-N 2 1 370.419 3.833 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712239 942413116 /nfs/dbraw/zinc/41/31/16/942413116.db2.gz AYZXVFOIAOIAGY-XUVXKRRUSA-N 2 1 358.526 3.979 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000505292553 942451381 /nfs/dbraw/zinc/45/13/81/942451381.db2.gz WNMAMQUGBPSDAP-JOCHJYFZSA-N 2 1 371.569 3.794 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1)C1CC1 ZINC000419908059 942452294 /nfs/dbraw/zinc/45/22/94/942452294.db2.gz HQGGRHMKXUCEPH-UHFFFAOYSA-N 2 1 357.542 3.713 20 0 FHADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000501441387 942479602 /nfs/dbraw/zinc/47/96/02/942479602.db2.gz GIMOXYUAIJVPAA-FYYLOGMGSA-N 2 1 365.521 3.730 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421343869 942497817 /nfs/dbraw/zinc/49/78/17/942497817.db2.gz QZADPSLSSNEDRH-YJBOKZPZSA-N 2 1 360.933 3.772 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000421343869 942497820 /nfs/dbraw/zinc/49/78/20/942497820.db2.gz QZADPSLSSNEDRH-YJBOKZPZSA-N 2 1 360.933 3.772 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421343867 942498034 /nfs/dbraw/zinc/49/80/34/942498034.db2.gz QZADPSLSSNEDRH-QAPCUYQASA-N 2 1 360.933 3.772 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000421343867 942498039 /nfs/dbraw/zinc/49/80/39/942498039.db2.gz QZADPSLSSNEDRH-QAPCUYQASA-N 2 1 360.933 3.772 20 0 FHADMP CCCC(C)(C)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccs1 ZINC000549410032 942508014 /nfs/dbraw/zinc/50/80/14/942508014.db2.gz SCTOCQBVNWKQTE-UHFFFAOYSA-N 2 1 365.587 3.729 20 0 FHADMP [NH3+]C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCCC1 ZINC000414832965 942509030 /nfs/dbraw/zinc/50/90/30/942509030.db2.gz FKTRYAMDHNFEML-HXUWFJFHSA-N 2 1 367.940 3.941 20 0 FHADMP COc1ccc(OC)c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804021 942536607 /nfs/dbraw/zinc/53/66/07/942536607.db2.gz CDYSBMJLDIIWJH-FPOVZHCZSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804021 942536611 /nfs/dbraw/zinc/53/66/11/942536611.db2.gz CDYSBMJLDIIWJH-FPOVZHCZSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804021 942536615 /nfs/dbraw/zinc/53/66/15/942536615.db2.gz CDYSBMJLDIIWJH-FPOVZHCZSA-N 2 1 366.505 3.658 20 0 FHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000416249401 942540372 /nfs/dbraw/zinc/54/03/72/942540372.db2.gz XMILNDLCRNYEPC-QFIPXVFZSA-N 2 1 363.505 3.622 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302355 942611263 /nfs/dbraw/zinc/61/12/63/942611263.db2.gz JSNZCQMQGUPUPP-QUCCMNQESA-N 2 1 370.493 3.592 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@@H]12 ZINC000420312555 942616358 /nfs/dbraw/zinc/61/63/58/942616358.db2.gz SLYNCNFSDCRWQX-KREFBHGWSA-N 2 1 359.473 3.761 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@@H]12 ZINC000420312555 942616363 /nfs/dbraw/zinc/61/63/63/942616363.db2.gz SLYNCNFSDCRWQX-KREFBHGWSA-N 2 1 359.473 3.761 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320445 942620426 /nfs/dbraw/zinc/62/04/26/942620426.db2.gz QFFLJDMXVPZOIQ-BTYIYWSLSA-N 2 1 372.534 3.712 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH2+][C@@H](C[NH3+])C3CCCCC3)n2)cc1F ZINC000420373937 942644196 /nfs/dbraw/zinc/64/41/96/942644196.db2.gz ROMMSVYETHNMOL-SFHVURJKSA-N 2 1 360.477 3.614 20 0 FHADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385025 942649098 /nfs/dbraw/zinc/64/90/98/942649098.db2.gz FBSFFXVHMIOXKC-TZIWHRDSSA-N 2 1 365.521 3.657 20 0 FHADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385025 942649100 /nfs/dbraw/zinc/64/91/00/942649100.db2.gz FBSFFXVHMIOXKC-TZIWHRDSSA-N 2 1 365.521 3.657 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420408393 942664249 /nfs/dbraw/zinc/66/42/49/942664249.db2.gz WGFILJUJWIFECC-PMACEKPBSA-N 2 1 360.505 3.965 20 0 FHADMP C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501788926 942673767 /nfs/dbraw/zinc/67/37/67/942673767.db2.gz JNHQEOLLSWQMDZ-OAHLLOKOSA-N 2 1 374.554 3.677 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405666 942732149 /nfs/dbraw/zinc/73/21/49/942732149.db2.gz SAVJAEMZWFJMJR-YGWPLHOASA-N 2 1 366.933 3.507 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000514089129 942740497 /nfs/dbraw/zinc/74/04/97/942740497.db2.gz ORYXMBWSQVIEPK-FGTMMUONSA-N 2 1 356.432 3.728 20 0 FHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000514115154 942755356 /nfs/dbraw/zinc/75/53/56/942755356.db2.gz PFWVZFKLQIBFTC-QGZVFWFLSA-N 2 1 360.477 3.787 20 0 FHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000514115154 942755359 /nfs/dbraw/zinc/75/53/59/942755359.db2.gz PFWVZFKLQIBFTC-QGZVFWFLSA-N 2 1 360.477 3.787 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000502852708 942796988 /nfs/dbraw/zinc/79/69/88/942796988.db2.gz KHXKDMQOHMTSGT-NRFANRHFSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000502862266 942811239 /nfs/dbraw/zinc/81/12/39/942811239.db2.gz SCMBFEYRGDKXKG-WOJBJXKFSA-N 2 1 366.594 3.595 20 0 FHADMP Cc1nccn1CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868772 942815181 /nfs/dbraw/zinc/81/51/81/942815181.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 2 1 366.553 3.960 20 0 FHADMP Cc1nccn1CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000502868772 942815187 /nfs/dbraw/zinc/81/51/87/942815187.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 2 1 366.553 3.960 20 0 FHADMP Cc1nccn1CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000502868772 942815190 /nfs/dbraw/zinc/81/51/90/942815190.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 2 1 366.553 3.960 20 0 FHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000421836004 942839493 /nfs/dbraw/zinc/83/94/93/942839493.db2.gz GFSQLEGECHHCOS-BEFAXECRSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1Cl ZINC000421818396 942846202 /nfs/dbraw/zinc/84/62/02/942846202.db2.gz AQLKLLJVSRAAJE-UWJYYQICSA-N 2 1 372.944 3.764 20 0 FHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000514241872 942856422 /nfs/dbraw/zinc/85/64/22/942856422.db2.gz KCMFCZJKFGHCOV-CMYVBNMBSA-N 2 1 350.506 3.836 20 0 FHADMP Cc1ccn2c(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)cnc2c1 ZINC000513759766 942857337 /nfs/dbraw/zinc/85/73/37/942857337.db2.gz GNSWBLRSYXJGRM-UHFFFAOYSA-N 2 1 362.521 3.987 20 0 FHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000183377155 942866104 /nfs/dbraw/zinc/86/61/04/942866104.db2.gz KQOZFFZHZVWIRA-QGZVFWFLSA-N 2 1 353.551 3.630 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000503054816 942953257 /nfs/dbraw/zinc/95/32/57/942953257.db2.gz UXZGTWDWJNZNHS-FQEVSTJZSA-N 2 1 373.541 3.559 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000503054816 942953266 /nfs/dbraw/zinc/95/32/66/942953266.db2.gz UXZGTWDWJNZNHS-FQEVSTJZSA-N 2 1 373.541 3.559 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856994 943031525 /nfs/dbraw/zinc/03/15/25/943031525.db2.gz ZYWOTRSGDJTPCG-GUYCJALGSA-N 2 1 371.447 3.920 20 0 FHADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000503271089 943093440 /nfs/dbraw/zinc/09/34/40/943093440.db2.gz VAQGPEIFLVXZAP-HXUWFJFHSA-N 2 1 372.557 3.568 20 0 FHADMP Clc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)ccc1Br ZINC000414864503 943104308 /nfs/dbraw/zinc/10/43/08/943104308.db2.gz ZGMHCNUDOIILBT-UHFFFAOYSA-N 2 1 368.706 3.767 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272171172 943106120 /nfs/dbraw/zinc/10/61/20/943106120.db2.gz HZODPMCEDYKUHQ-QRFRQXIXSA-N 2 1 371.550 3.995 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272171172 943106128 /nfs/dbraw/zinc/10/61/28/943106128.db2.gz HZODPMCEDYKUHQ-QRFRQXIXSA-N 2 1 371.550 3.995 20 0 FHADMP CCN(CC)c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435062212 943134846 /nfs/dbraw/zinc/13/48/46/943134846.db2.gz XZPNJOUKOCTEHK-UHFFFAOYSA-N 2 1 373.570 3.902 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924954991 943193433 /nfs/dbraw/zinc/19/34/33/943193433.db2.gz YWCMXUVKVJDFDM-WBMJQRKESA-N 2 1 363.303 3.652 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837029 943230418 /nfs/dbraw/zinc/23/04/18/943230418.db2.gz IHQNAHBLHGQHEM-FXAWDEMLSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837029 943230422 /nfs/dbraw/zinc/23/04/22/943230422.db2.gz IHQNAHBLHGQHEM-FXAWDEMLSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272866330 943235423 /nfs/dbraw/zinc/23/54/23/943235423.db2.gz LKXXBDJEPIDNBP-UONOGXRCSA-N 2 1 352.320 3.587 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272866330 943235427 /nfs/dbraw/zinc/23/54/27/943235427.db2.gz LKXXBDJEPIDNBP-UONOGXRCSA-N 2 1 352.320 3.587 20 0 FHADMP C[C@H](O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000272942750 943248092 /nfs/dbraw/zinc/24/80/92/943248092.db2.gz MLVSXTQYVLGLJT-KRWDZBQOSA-N 2 1 356.485 3.676 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422726234 943260401 /nfs/dbraw/zinc/26/04/01/943260401.db2.gz ZKBADPGFKAMHFO-MBSDFSHPSA-N 2 1 361.489 3.709 20 0 FHADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416982944 943266472 /nfs/dbraw/zinc/26/64/72/943266472.db2.gz WPFDQINWMFAVAV-NQIIRXRSSA-N 2 1 374.573 3.576 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422757126 943273917 /nfs/dbraw/zinc/27/39/17/943273917.db2.gz IDYDLCFGJSNIER-VDHUWJSZSA-N 2 1 355.448 3.558 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755477 943273963 /nfs/dbraw/zinc/27/39/63/943273963.db2.gz HYVXVFVGZOFTEB-JGQIHZOTSA-N 2 1 371.569 3.588 20 0 FHADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755477 943273968 /nfs/dbraw/zinc/27/39/68/943273968.db2.gz HYVXVFVGZOFTEB-JGQIHZOTSA-N 2 1 371.569 3.588 20 0 FHADMP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422778434 943280020 /nfs/dbraw/zinc/28/00/20/943280020.db2.gz AOPBCYURBMOIRG-AVBTWRTFSA-N 2 1 356.441 3.741 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422804755 943289274 /nfs/dbraw/zinc/28/92/74/943289274.db2.gz LCWSVOHHWRNOTA-KDOFPFPSSA-N 2 1 352.400 3.676 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422829304 943297379 /nfs/dbraw/zinc/29/73/79/943297379.db2.gz BRKGSBJHJYESLA-FBBABVLZSA-N 2 1 357.567 3.508 20 0 FHADMP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696291 943300350 /nfs/dbraw/zinc/30/03/50/943300350.db2.gz HDVXNAQLYKIQBC-RTBURBONSA-N 2 1 365.521 3.544 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422880985 943315531 /nfs/dbraw/zinc/31/55/31/943315531.db2.gz YDPUQMCHBKZFPZ-YESZJQIVSA-N 2 1 354.441 3.697 20 0 FHADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422902192 943325061 /nfs/dbraw/zinc/32/50/61/943325061.db2.gz TZKNXWNCUWYCQF-YTFSRNRJSA-N 2 1 355.570 3.860 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000414702361 943325919 /nfs/dbraw/zinc/32/59/19/943325919.db2.gz BBHSNZGCYDGELT-IEBWSBKVSA-N 2 1 370.541 3.524 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909487 943328204 /nfs/dbraw/zinc/32/82/04/943328204.db2.gz OESLTMOPWKHWBD-KKLQWCBXSA-N 2 1 371.569 3.733 20 0 FHADMP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909487 943328207 /nfs/dbraw/zinc/32/82/07/943328207.db2.gz OESLTMOPWKHWBD-KKLQWCBXSA-N 2 1 371.569 3.733 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)c2ccccc21 ZINC000422912677 943329064 /nfs/dbraw/zinc/32/90/64/943329064.db2.gz WRPVWQNFUBZMGX-XMDBHEJHSA-N 2 1 357.448 3.664 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)c2ccccc21 ZINC000422912674 943329122 /nfs/dbraw/zinc/32/91/22/943329122.db2.gz WRPVWQNFUBZMGX-DLPLYFIVSA-N 2 1 357.448 3.664 20 0 FHADMP Cc1csc(C2([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)n1 ZINC000422940384 943338798 /nfs/dbraw/zinc/33/87/98/943338798.db2.gz NCZAQGCZKYKLHW-APWZRJJASA-N 2 1 355.507 3.676 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422918806 943341632 /nfs/dbraw/zinc/34/16/32/943341632.db2.gz IXFABADBTFBXGU-BRKWEVRTSA-N 2 1 357.542 3.630 20 0 FHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000514867076 943348584 /nfs/dbraw/zinc/34/85/84/943348584.db2.gz IOFMGDCJPMGBKP-FQEVSTJZSA-N 2 1 352.478 3.687 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422958382 943349223 /nfs/dbraw/zinc/34/92/23/943349223.db2.gz XMXHPABUVWZNEG-BBWFWOEESA-N 2 1 368.525 3.631 20 0 FHADMP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422959211 943350228 /nfs/dbraw/zinc/35/02/28/943350228.db2.gz RBDSHVZUCCLJMC-CNNODRBYSA-N 2 1 350.462 3.582 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872431 943352084 /nfs/dbraw/zinc/35/20/84/943352084.db2.gz ZYMWTSJFTZDQCM-CTNGQTDRSA-N 2 1 371.569 3.517 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422994970 943353334 /nfs/dbraw/zinc/35/33/34/943353334.db2.gz WQSOZTNPXPCAPL-ZNOIYHFQSA-N 2 1 364.411 3.591 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000435374340 943355923 /nfs/dbraw/zinc/35/59/23/943355923.db2.gz QKUBDHFYRVWUAF-AUUYWEPGSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000435374340 943355926 /nfs/dbraw/zinc/35/59/26/943355926.db2.gz QKUBDHFYRVWUAF-AUUYWEPGSA-N 2 1 357.885 3.761 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435377512 943358064 /nfs/dbraw/zinc/35/80/64/943358064.db2.gz CLGGBDJACHRUGO-GOSISDBHSA-N 2 1 366.534 3.701 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435377512 943358068 /nfs/dbraw/zinc/35/80/68/943358068.db2.gz CLGGBDJACHRUGO-GOSISDBHSA-N 2 1 366.534 3.701 20 0 FHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)CC1 ZINC000584670892 943359073 /nfs/dbraw/zinc/35/90/73/943359073.db2.gz WUKUGOICKLDSLR-BHDDXSALSA-N 2 1 356.558 3.502 20 0 FHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435368014 943362631 /nfs/dbraw/zinc/36/26/31/943362631.db2.gz DIYAQHSTGNTFOF-SFHVURJKSA-N 2 1 358.457 3.584 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435368014 943362637 /nfs/dbraw/zinc/36/26/37/943362637.db2.gz DIYAQHSTGNTFOF-SFHVURJKSA-N 2 1 358.457 3.584 20 0 FHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012605 943364912 /nfs/dbraw/zinc/36/49/12/943364912.db2.gz LEAXODMZVHNUEL-WCIQWLHISA-N 2 1 359.876 3.959 20 0 FHADMP CC[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022466 943367143 /nfs/dbraw/zinc/36/71/43/943367143.db2.gz HSEPYYAAERTELD-QZHFEQFPSA-N 2 1 353.913 3.592 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022466 943367147 /nfs/dbraw/zinc/36/71/47/943367147.db2.gz HSEPYYAAERTELD-QZHFEQFPSA-N 2 1 353.913 3.592 20 0 FHADMP CC[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022465 943367252 /nfs/dbraw/zinc/36/72/52/943367252.db2.gz HSEPYYAAERTELD-GRGSLBFTSA-N 2 1 353.913 3.592 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022465 943367255 /nfs/dbraw/zinc/36/72/55/943367255.db2.gz HSEPYYAAERTELD-GRGSLBFTSA-N 2 1 353.913 3.592 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c[nH+]ccc1N ZINC000423047704 943369046 /nfs/dbraw/zinc/36/90/46/943369046.db2.gz VLGFGOZFOOAJMH-VXGBXAGGSA-N 2 1 351.281 3.730 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381304 943369615 /nfs/dbraw/zinc/36/96/15/943369615.db2.gz WANPPBVHMPHMRU-FUHWJXTLSA-N 2 1 366.534 3.829 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387359 943374180 /nfs/dbraw/zinc/37/41/80/943374180.db2.gz ZWIVIXUBVPNAKJ-ICSRJNTNSA-N 2 1 353.510 3.837 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414714534 943377324 /nfs/dbraw/zinc/37/73/24/943377324.db2.gz QBMCWSAXRDLSLA-KRWDZBQOSA-N 2 1 358.530 3.572 20 0 FHADMP COc1cccc(Cl)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423076638 943385530 /nfs/dbraw/zinc/38/55/30/943385530.db2.gz ZOBNTTDZJJRBKV-PXNSSMCTSA-N 2 1 358.869 3.694 20 0 FHADMP OCC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC(c2ccccc2)C1 ZINC000423085479 943388633 /nfs/dbraw/zinc/38/86/33/943388633.db2.gz JZLLRXSSYQVBAP-YGZJECHCSA-N 2 1 350.506 3.626 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423101363 943394698 /nfs/dbraw/zinc/39/46/98/943394698.db2.gz CSXIPKIIAJNFGY-VIFPVBQESA-N 2 1 370.241 3.740 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122961 943398014 /nfs/dbraw/zinc/39/80/14/943398014.db2.gz KJZJKJPOYHKSQU-GPJHCHHRSA-N 2 1 373.585 3.977 20 0 FHADMP C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423107689 943403420 /nfs/dbraw/zinc/40/34/20/943403420.db2.gz QANYTWARTQTUAV-BVGQSLNGSA-N 2 1 356.432 3.903 20 0 FHADMP c1cc(C[N@@H+](Cc2ccc3c[nH]nc3c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426643 943405845 /nfs/dbraw/zinc/40/58/45/943405845.db2.gz JHGBJTPXMQOWDC-IBGZPJMESA-N 2 1 352.507 3.769 20 0 FHADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423176991 943428434 /nfs/dbraw/zinc/42/84/34/943428434.db2.gz DGYLASSPNKCACB-VIFPVBQESA-N 2 1 351.210 3.871 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000423293130 943466171 /nfs/dbraw/zinc/46/61/71/943466171.db2.gz PWAHKSCHWDUSCD-MNOVXSKESA-N 2 1 352.251 3.854 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000187289292 943468226 /nfs/dbraw/zinc/46/82/26/943468226.db2.gz OIDDJVZJOZQCFE-MRXNPFEDSA-N 2 1 374.488 3.941 20 0 FHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423281708 943470374 /nfs/dbraw/zinc/47/03/74/943470374.db2.gz UMIHLXSTCIYHPV-SDBXPKJASA-N 2 1 351.210 3.856 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1 ZINC000423317321 943473986 /nfs/dbraw/zinc/47/39/86/943473986.db2.gz ARHNZLUEHVOREN-MDASCCDHSA-N 2 1 352.469 3.944 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000423317900 943474628 /nfs/dbraw/zinc/47/46/28/943474628.db2.gz BEYIELKITSWABT-FZCLSBEQSA-N 2 1 356.432 3.851 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423323614 943480074 /nfs/dbraw/zinc/48/00/74/943480074.db2.gz IGFOMUILMDWZKT-WSTZPKSXSA-N 2 1 359.558 3.587 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000515063755 943482500 /nfs/dbraw/zinc/48/25/00/943482500.db2.gz ZJJQNGJUMVSYEZ-VQTJNVASSA-N 2 1 360.505 3.823 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066348 943484321 /nfs/dbraw/zinc/48/43/21/943484321.db2.gz OXSICUYSHQHPRE-MZYLBHOOSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000515066348 943484324 /nfs/dbraw/zinc/48/43/24/943484324.db2.gz OXSICUYSHQHPRE-MZYLBHOOSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515066348 943484327 /nfs/dbraw/zinc/48/43/27/943484327.db2.gz OXSICUYSHQHPRE-MZYLBHOOSA-N 2 1 355.570 3.847 20 0 FHADMP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1F ZINC000423358209 943490336 /nfs/dbraw/zinc/49/03/36/943490336.db2.gz BKGWPYLKLSQVAK-XLIONFOSSA-N 2 1 364.480 3.739 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000164035158 943492341 /nfs/dbraw/zinc/49/23/41/943492341.db2.gz GMYMJOPFONUKQV-FUHIMQAGSA-N 2 1 369.509 3.803 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000164035158 943492348 /nfs/dbraw/zinc/49/23/48/943492348.db2.gz GMYMJOPFONUKQV-FUHIMQAGSA-N 2 1 369.509 3.803 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423371608 943494591 /nfs/dbraw/zinc/49/45/91/943494591.db2.gz HQQSGIXEZLXQMJ-CYGHRXIMSA-N 2 1 350.478 3.565 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423383881 943497668 /nfs/dbraw/zinc/49/76/68/943497668.db2.gz FOKRNTABQJHDDW-ISVAXAHUSA-N 2 1 362.109 3.526 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@@H]32)cc1 ZINC000423391078 943500056 /nfs/dbraw/zinc/50/00/56/943500056.db2.gz PFOUHZZVTNLTMU-SGNDLWITSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@@H]32)cc1 ZINC000423391078 943500063 /nfs/dbraw/zinc/50/00/63/943500063.db2.gz PFOUHZZVTNLTMU-SGNDLWITSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@@H]32)cc1 ZINC000423391078 943500067 /nfs/dbraw/zinc/50/00/67/943500067.db2.gz PFOUHZZVTNLTMU-SGNDLWITSA-N 2 1 361.533 3.823 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417326971 943511000 /nfs/dbraw/zinc/51/10/00/943511000.db2.gz RUVUEXHQSOAIPO-FFZOFVMBSA-N 2 1 356.535 3.862 20 0 FHADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146468 943523493 /nfs/dbraw/zinc/52/34/93/943523493.db2.gz SEXDDLSVXXIMHD-DRSNIGMVSA-N 2 1 351.494 3.658 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000423472187 943525855 /nfs/dbraw/zinc/52/58/55/943525855.db2.gz MXXXFTKOZPJUJV-LDBYXDLTSA-N 2 1 372.484 3.887 20 0 FHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423481722 943528109 /nfs/dbraw/zinc/52/81/09/943528109.db2.gz QLIYCYWKACSVMT-AEFFLSMTSA-N 2 1 365.855 3.853 20 0 FHADMP Cc1c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508489 943532498 /nfs/dbraw/zinc/53/24/98/943532498.db2.gz QWNJAIJUNIVSAK-QRWLVFNGSA-N 2 1 367.472 3.846 20 0 FHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000423528454 943537837 /nfs/dbraw/zinc/53/78/37/943537837.db2.gz OFSUIOWLOXDRPF-LJQANCHMSA-N 2 1 374.532 3.879 20 0 FHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)c1 ZINC000423530791 943538493 /nfs/dbraw/zinc/53/84/93/943538493.db2.gz ZGBVDOYCMSHIPO-GCJKJVERSA-N 2 1 354.494 3.603 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000423519839 943543961 /nfs/dbraw/zinc/54/39/61/943543961.db2.gz QPZKFHGAHZKFGT-NWLLBJEDSA-N 2 1 364.537 3.616 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc12 ZINC000423519571 943544141 /nfs/dbraw/zinc/54/41/41/943544141.db2.gz QATRWUWUMVEVDF-VIQWUECVSA-N 2 1 367.537 3.715 20 0 FHADMP Cc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423520581 943544796 /nfs/dbraw/zinc/54/47/96/943544796.db2.gz RNGMDUVUERIGHL-KXTRFFEISA-N 2 1 363.549 3.890 20 0 FHADMP c1csc(C[N@@H+](CCSc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435687049 943546829 /nfs/dbraw/zinc/54/68/29/943546829.db2.gz BYYJLKUARUGILM-KRWDZBQOSA-N 2 1 359.564 3.880 20 0 FHADMP c1csc(C[N@H+](CCSc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435687049 943546833 /nfs/dbraw/zinc/54/68/33/943546833.db2.gz BYYJLKUARUGILM-KRWDZBQOSA-N 2 1 359.564 3.880 20 0 FHADMP CC(C)C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423561040 943549727 /nfs/dbraw/zinc/54/97/27/943549727.db2.gz JWVTUAQVTJCPAN-JOCHJYFZSA-N 2 1 366.553 3.752 20 0 FHADMP c1csc(C[N@@H+](CCCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435695756 943561258 /nfs/dbraw/zinc/56/12/58/943561258.db2.gz SPPIUQFFOCAJMZ-SFHVURJKSA-N 2 1 357.523 3.556 20 0 FHADMP c1csc(C[N@H+](CCCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435695756 943561269 /nfs/dbraw/zinc/56/12/69/943561269.db2.gz SPPIUQFFOCAJMZ-SFHVURJKSA-N 2 1 357.523 3.556 20 0 FHADMP c1csc(C[N@@H+](CCCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435695754 943561690 /nfs/dbraw/zinc/56/16/90/943561690.db2.gz SPPIUQFFOCAJMZ-GOSISDBHSA-N 2 1 357.523 3.556 20 0 FHADMP c1csc(C[N@H+](CCCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435695754 943561695 /nfs/dbraw/zinc/56/16/95/943561695.db2.gz SPPIUQFFOCAJMZ-GOSISDBHSA-N 2 1 357.523 3.556 20 0 FHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000515205273 943566961 /nfs/dbraw/zinc/56/69/61/943566961.db2.gz ZLHWRBIZQHYGSK-QZTJIDSGSA-N 2 1 372.619 3.611 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435739156 943590183 /nfs/dbraw/zinc/59/01/83/943590183.db2.gz WBTPXUZSPNKBKT-GOSISDBHSA-N 2 1 359.539 3.641 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435739156 943590185 /nfs/dbraw/zinc/59/01/85/943590185.db2.gz WBTPXUZSPNKBKT-GOSISDBHSA-N 2 1 359.539 3.641 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423729284 943606070 /nfs/dbraw/zinc/60/60/70/943606070.db2.gz NSCNCAVKCFMEFL-KVPLUYHFSA-N 2 1 357.542 3.576 20 0 FHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000584787006 943614347 /nfs/dbraw/zinc/61/43/47/943614347.db2.gz NUZQMAARNLVZHZ-UHFFFAOYSA-N 2 1 351.450 3.572 20 0 FHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000511636504 943706292 /nfs/dbraw/zinc/70/62/92/943706292.db2.gz WVAHXPFFHJQQSX-OAQYLSRUSA-N 2 1 359.558 3.839 20 0 FHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000584839579 943737968 /nfs/dbraw/zinc/73/79/68/943737968.db2.gz RCWBKOCHDGVUAY-HRCADAONSA-N 2 1 372.431 3.586 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000312555244 943789734 /nfs/dbraw/zinc/78/97/34/943789734.db2.gz XROKWBXKIUQTKH-CVDCTZTESA-N 2 1 365.521 3.906 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288078 943820400 /nfs/dbraw/zinc/82/04/00/943820400.db2.gz KBPGHSXLXBZOEO-CQSZACIVSA-N 2 1 358.507 3.652 20 0 FHADMP c1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000261929109 943820924 /nfs/dbraw/zinc/82/09/24/943820924.db2.gz COBQBEQSDSPNOG-UHFFFAOYSA-N 2 1 373.504 3.510 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000584869024 943821968 /nfs/dbraw/zinc/82/19/68/943821968.db2.gz RXCCSBUKWNIQEM-TZIWHRDSSA-N 2 1 367.537 3.913 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)c(C)c1 ZINC000414780509 943822407 /nfs/dbraw/zinc/82/24/07/943822407.db2.gz BLYQRKILYTXQLD-UHFFFAOYSA-N 2 1 360.505 3.998 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC000424298116 943826342 /nfs/dbraw/zinc/82/63/42/943826342.db2.gz TXXIJYBTWTVVHJ-GOSISDBHSA-N 2 1 363.505 3.756 20 0 FHADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424298937 943826939 /nfs/dbraw/zinc/82/69/39/943826939.db2.gz URSKWJKOXITWEG-SFHVURJKSA-N 2 1 365.521 3.657 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279027 943833926 /nfs/dbraw/zinc/83/39/26/943833926.db2.gz JWEPIDZNDRBXRT-IEBWSBKVSA-N 2 1 359.539 3.517 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279027 943833929 /nfs/dbraw/zinc/83/39/29/943833929.db2.gz JWEPIDZNDRBXRT-IEBWSBKVSA-N 2 1 359.539 3.517 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc2ccccc2n1 ZINC000660268103 943838203 /nfs/dbraw/zinc/83/82/03/943838203.db2.gz CCUTWBSBCRFANS-ROUUACIJSA-N 2 1 360.505 3.876 20 0 FHADMP C[N@H+](Cc1ccc(-c2ccccn2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425415716 943850286 /nfs/dbraw/zinc/85/02/86/943850286.db2.gz FPMGYEIJTVYOLE-UHFFFAOYSA-N 2 1 373.504 3.887 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368895 943881996 /nfs/dbraw/zinc/88/19/96/943881996.db2.gz AQKOZCKXSQFQHN-SFHVURJKSA-N 2 1 352.526 3.960 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(OCc3ccccn3)c1)CC[NH2+]CC2 ZINC000424378818 943888028 /nfs/dbraw/zinc/88/80/28/943888028.db2.gz NWZRAPHLWOZZFL-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424388024 943895567 /nfs/dbraw/zinc/89/55/67/943895567.db2.gz YYERSURODYXDBA-ZDUSSCGKSA-N 2 1 360.395 3.731 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414786155 943905815 /nfs/dbraw/zinc/90/58/15/943905815.db2.gz UEPDFOZYRBBYOB-VQTJNVASSA-N 2 1 350.510 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000414787981 943914307 /nfs/dbraw/zinc/91/43/07/943914307.db2.gz MFUGRSZDXOAWAD-CVEARBPZSA-N 2 1 362.823 3.687 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305043 943932644 /nfs/dbraw/zinc/93/26/44/943932644.db2.gz JQRRMIPWKZYDQZ-MAUKXSAKSA-N 2 1 372.525 3.784 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417938953 943981033 /nfs/dbraw/zinc/98/10/33/943981033.db2.gz JJIUWRAIMXWOIE-FXAWDEMLSA-N 2 1 371.550 3.623 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417938953 943981037 /nfs/dbraw/zinc/98/10/37/943981037.db2.gz JJIUWRAIMXWOIE-FXAWDEMLSA-N 2 1 371.550 3.623 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000517146054 944044208 /nfs/dbraw/zinc/04/42/08/944044208.db2.gz XENOVGVYPYWMCA-JSGCOSHPSA-N 2 1 370.337 3.600 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000517146054 944044216 /nfs/dbraw/zinc/04/42/16/944044216.db2.gz XENOVGVYPYWMCA-JSGCOSHPSA-N 2 1 370.337 3.600 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)C[C@H](C)O1 ZINC000437701628 944045160 /nfs/dbraw/zinc/04/51/60/944045160.db2.gz ORZMPAQIQMLZJA-IYBDPMFKSA-N 2 1 359.489 3.628 20 0 FHADMP C[C@H]1C[C@H](NCc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195900 944078773 /nfs/dbraw/zinc/07/87/73/944078773.db2.gz FXEAKLBTFARETN-SIKLNZKXSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1Cc1ccccc1 ZINC000517195900 944078779 /nfs/dbraw/zinc/07/87/79/944078779.db2.gz FXEAKLBTFARETN-SIKLNZKXSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000517195900 944078785 /nfs/dbraw/zinc/07/87/85/944078785.db2.gz FXEAKLBTFARETN-SIKLNZKXSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195900 944078790 /nfs/dbraw/zinc/07/87/90/944078790.db2.gz FXEAKLBTFARETN-SIKLNZKXSA-N 2 1 364.537 3.825 20 0 FHADMP c1ccc([C@H]2CC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C2)cc1 ZINC000436266514 944157476 /nfs/dbraw/zinc/15/74/76/944157476.db2.gz AENQHYUQNCNDGP-REWPJTCUSA-N 2 1 350.506 3.945 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000436281966 944161859 /nfs/dbraw/zinc/16/18/59/944161859.db2.gz HTUWDGCWVRZURO-LLVBAIKDSA-N 2 1 370.537 3.609 20 0 FHADMP COCCC1(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CCCCC1 ZINC000436272103 944170802 /nfs/dbraw/zinc/17/08/02/944170802.db2.gz FTDWYHNAEBADRP-UHFFFAOYSA-N 2 1 373.585 3.511 20 0 FHADMP C[C@H](C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)C[NH+](C)C ZINC000425920209 944173050 /nfs/dbraw/zinc/17/30/50/944173050.db2.gz JYFYUZAXWLSWDP-NUJGCVRESA-N 2 1 352.494 3.622 20 0 FHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506475101 944287505 /nfs/dbraw/zinc/28/75/05/944287505.db2.gz SFNWXMYQYQWEOZ-UWHLTILDSA-N 2 1 363.590 3.752 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000414920171 944297939 /nfs/dbraw/zinc/29/79/39/944297939.db2.gz YRHLXGGJJPXJNJ-KRWDZBQOSA-N 2 1 357.502 3.550 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000414978141 944300040 /nfs/dbraw/zinc/30/00/40/944300040.db2.gz LNGYWRTTXZSFKR-UHFFFAOYSA-N 2 1 367.512 3.981 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000439081347 944321848 /nfs/dbraw/zinc/32/18/48/944321848.db2.gz VRXNMKWXGCWALT-QGZVFWFLSA-N 2 1 369.509 3.826 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000439081347 944321857 /nfs/dbraw/zinc/32/18/57/944321857.db2.gz VRXNMKWXGCWALT-QGZVFWFLSA-N 2 1 369.509 3.826 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000439083496 944322676 /nfs/dbraw/zinc/32/26/76/944322676.db2.gz GWITXZDKGKLLIN-SJORKVTESA-N 2 1 361.530 3.816 20 0 FHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414980408 944323569 /nfs/dbraw/zinc/32/35/69/944323569.db2.gz WPISHQOKVKJUSC-ZDUSSCGKSA-N 2 1 365.237 3.946 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439089075 944328151 /nfs/dbraw/zinc/32/81/51/944328151.db2.gz VQCVWLSDJVBVTI-BBWFWOEESA-N 2 1 361.530 3.672 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439089075 944328158 /nfs/dbraw/zinc/32/81/58/944328158.db2.gz VQCVWLSDJVBVTI-BBWFWOEESA-N 2 1 361.530 3.672 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)ccc2n1 ZINC000438090071 944330474 /nfs/dbraw/zinc/33/04/74/944330474.db2.gz AEQJZWAOWBMMPP-UHFFFAOYSA-N 2 1 361.489 3.665 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506482000 944331673 /nfs/dbraw/zinc/33/16/73/944331673.db2.gz RWQVHVCHBYGMGE-TZIWHRDSSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506482000 944331681 /nfs/dbraw/zinc/33/16/81/944331681.db2.gz RWQVHVCHBYGMGE-TZIWHRDSSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506482000 944331689 /nfs/dbraw/zinc/33/16/89/944331689.db2.gz RWQVHVCHBYGMGE-TZIWHRDSSA-N 2 1 363.590 3.659 20 0 FHADMP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000425954127 944377265 /nfs/dbraw/zinc/37/72/65/944377265.db2.gz YMGFIWQUMNLRGN-MDMXATFFSA-N 2 1 358.526 3.882 20 0 FHADMP Cn1cc(CC[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000664836783 944381512 /nfs/dbraw/zinc/38/15/12/944381512.db2.gz XUNRHLXQAOXAGF-QFIPXVFZSA-N 2 1 366.553 3.585 20 0 FHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426295315 944398189 /nfs/dbraw/zinc/39/81/89/944398189.db2.gz TYCCCISHOPWZEB-DYESRHJHSA-N 2 1 367.537 3.671 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@H+]1C ZINC000426325463 944446926 /nfs/dbraw/zinc/44/69/26/944446926.db2.gz VBTFDHCTVZCTOD-GJZGRUSLSA-N 2 1 351.332 3.943 20 0 FHADMP [NH3+]C1(c2ccccc2Cl)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167979038 944447650 /nfs/dbraw/zinc/44/76/50/944447650.db2.gz SSSKJTRCGLSWAL-DFNIBXOVSA-N 2 1 373.972 3.995 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2CCCCCC2)CC1 ZINC000518512342 944455788 /nfs/dbraw/zinc/45/57/88/944455788.db2.gz UYPFIQJSNQWCOZ-UHFFFAOYSA-N 2 1 371.569 3.684 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCCCCC2)CC1 ZINC000518512342 944455794 /nfs/dbraw/zinc/45/57/94/944455794.db2.gz UYPFIQJSNQWCOZ-UHFFFAOYSA-N 2 1 371.569 3.684 20 0 FHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCCCCC2)CC1 ZINC000518512342 944455797 /nfs/dbraw/zinc/45/57/97/944455797.db2.gz UYPFIQJSNQWCOZ-UHFFFAOYSA-N 2 1 371.569 3.684 20 0 FHADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000364372335 944491968 /nfs/dbraw/zinc/49/19/68/944491968.db2.gz CFBWRIBMPGOBKH-LJQANCHMSA-N 2 1 351.498 3.547 20 0 FHADMP c1ccc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964331 944543923 /nfs/dbraw/zinc/54/39/23/944543923.db2.gz PCRYJVQTHCPMMC-MBJRSGMTSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[NH+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964331 944543927 /nfs/dbraw/zinc/54/39/27/944543927.db2.gz PCRYJVQTHCPMMC-MBJRSGMTSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[NH+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964331 944543933 /nfs/dbraw/zinc/54/39/33/944543933.db2.gz PCRYJVQTHCPMMC-MBJRSGMTSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964331 944543939 /nfs/dbraw/zinc/54/39/39/944543939.db2.gz PCRYJVQTHCPMMC-MBJRSGMTSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964331 944543943 /nfs/dbraw/zinc/54/39/43/944543943.db2.gz PCRYJVQTHCPMMC-MBJRSGMTSA-N 2 1 353.554 3.646 20 0 FHADMP C[C@@H](C[NH+](C)C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000436704266 944545075 /nfs/dbraw/zinc/54/50/75/944545075.db2.gz GSBAFQGQHWOPCL-AWEZNQCLSA-N 2 1 369.538 3.782 20 0 FHADMP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000426017842 944630645 /nfs/dbraw/zinc/63/06/45/944630645.db2.gz NTONWFUGKJGNJQ-PKOBYXMFSA-N 2 1 371.491 3.761 20 0 FHADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000426017842 944630646 /nfs/dbraw/zinc/63/06/46/944630646.db2.gz NTONWFUGKJGNJQ-PKOBYXMFSA-N 2 1 371.491 3.761 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1 ZINC001167983730 944668312 /nfs/dbraw/zinc/66/83/12/944668312.db2.gz UAJVMBSIQZFIGI-MRXNPFEDSA-N 2 1 364.493 3.607 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000500376927 944682299 /nfs/dbraw/zinc/68/22/99/944682299.db2.gz MVGYBTOCYIDCIA-DTQAZKPQSA-N 2 1 369.475 3.724 20 0 FHADMP Cc1nc2ccc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2s1 ZINC000426412536 944726821 /nfs/dbraw/zinc/72/68/21/944726821.db2.gz PPXOJNKGQZQQNP-IYBDPMFKSA-N 2 1 373.566 3.926 20 0 FHADMP CC1([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000414933872 944727653 /nfs/dbraw/zinc/72/76/53/944727653.db2.gz DUYVKHKHRZOUOI-UHFFFAOYSA-N 2 1 351.210 3.700 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438549243 944777387 /nfs/dbraw/zinc/77/73/87/944777387.db2.gz CPZDEIONPQTVCK-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000093683980 944887448 /nfs/dbraw/zinc/88/74/48/944887448.db2.gz GXXVHPZFGSDYKG-QFIPXVFZSA-N 2 1 368.521 3.666 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414939875 944902644 /nfs/dbraw/zinc/90/26/44/944902644.db2.gz BHCDCCIQFJQECC-ZANVPECISA-N 2 1 351.210 3.698 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698207 944913162 /nfs/dbraw/zinc/91/31/62/944913162.db2.gz YDMKWDPKSKAZFQ-ROUUACIJSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698207 944913167 /nfs/dbraw/zinc/91/31/67/944913167.db2.gz YDMKWDPKSKAZFQ-ROUUACIJSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698207 944913171 /nfs/dbraw/zinc/91/31/71/944913171.db2.gz YDMKWDPKSKAZFQ-ROUUACIJSA-N 2 1 357.542 3.521 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681901 944913651 /nfs/dbraw/zinc/91/36/51/944913651.db2.gz QGLBZEUQJRMOAD-GBESFXJTSA-N 2 1 371.569 3.767 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000511681902 944913764 /nfs/dbraw/zinc/91/37/64/944913764.db2.gz QGLBZEUQJRMOAD-GUDVDZBRSA-N 2 1 371.569 3.767 20 0 FHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957035 944923157 /nfs/dbraw/zinc/92/31/57/944923157.db2.gz GTMXFRWNVYMYTC-UHFFFAOYSA-N 2 1 366.553 3.804 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000414896039 944938859 /nfs/dbraw/zinc/93/88/59/944938859.db2.gz AULBEESEQQLNHA-APWZRJJASA-N 2 1 369.513 3.646 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)F ZINC000425693569 944952830 /nfs/dbraw/zinc/95/28/30/944952830.db2.gz ROADMJMRCHXKBX-HNNXBMFYSA-N 2 1 368.472 3.504 20 0 FHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000426939610 944953956 /nfs/dbraw/zinc/95/39/56/944953956.db2.gz GTWPFCMIHPJJPK-OAQYLSRUSA-N 2 1 355.526 3.526 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@@H](C)C1 ZINC000437075628 944993409 /nfs/dbraw/zinc/99/34/09/944993409.db2.gz HDDGQGDCXVMNDW-UGKGYDQZSA-N 2 1 371.569 3.756 20 0 FHADMP CCN(CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)CC(F)(F)F ZINC000660678746 945379332 /nfs/dbraw/zinc/37/93/32/945379332.db2.gz ZZGFEOGZWYLKNO-UHFFFAOYSA-N 2 1 357.464 3.515 20 0 FHADMP Cc1ccccc1CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000440314056 945395988 /nfs/dbraw/zinc/39/59/88/945395988.db2.gz IHFNYTQPOBEYBQ-UHFFFAOYSA-N 2 1 365.565 3.677 20 0 FHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894861003 945515512 /nfs/dbraw/zinc/51/55/12/945515512.db2.gz MXHYTQANPUOFDJ-CQSZACIVSA-N 2 1 353.532 3.917 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112252 945529630 /nfs/dbraw/zinc/52/96/30/945529630.db2.gz CLAQYHTUKZTUGP-AOMKIAJQSA-N 2 1 369.484 3.682 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112252 945529635 /nfs/dbraw/zinc/52/96/35/945529635.db2.gz CLAQYHTUKZTUGP-AOMKIAJQSA-N 2 1 369.484 3.682 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651676530 945621305 /nfs/dbraw/zinc/62/13/05/945621305.db2.gz CVKGBLVSEBDNMC-HXUWFJFHSA-N 2 1 366.553 3.817 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469488039 945669788 /nfs/dbraw/zinc/66/97/88/945669788.db2.gz ODFYSMCXYPEVDD-LBPRGKRZSA-N 2 1 370.335 3.616 20 0 FHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)c2)cc1 ZINC000415127427 945691197 /nfs/dbraw/zinc/69/11/97/945691197.db2.gz NAFPWQTUDPZGGT-JOCHJYFZSA-N 2 1 361.493 3.549 20 0 FHADMP COc1cc(OC)c(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651691699 945701732 /nfs/dbraw/zinc/70/17/32/945701732.db2.gz DGWUJSKIZNDZFI-GOSISDBHSA-N 2 1 372.484 3.845 20 0 FHADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000519827262 945790556 /nfs/dbraw/zinc/79/05/56/945790556.db2.gz NCYUKLDHBMOEJL-LJQANCHMSA-N 2 1 364.537 3.586 20 0 FHADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000519827262 945790565 /nfs/dbraw/zinc/79/05/65/945790565.db2.gz NCYUKLDHBMOEJL-LJQANCHMSA-N 2 1 364.537 3.586 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000662751783 945875829 /nfs/dbraw/zinc/87/58/29/945875829.db2.gz CVWKNOOPMDDSEU-UHFFFAOYSA-N 2 1 357.542 3.586 20 0 FHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519911587 945878537 /nfs/dbraw/zinc/87/85/37/945878537.db2.gz OXFSDCVCDPCWQA-FGZHOGPDSA-N 2 1 371.569 3.525 20 0 FHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894522905 945925091 /nfs/dbraw/zinc/92/50/91/945925091.db2.gz QBISHCIWHUUZJL-UHFFFAOYSA-N 2 1 367.415 3.779 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CNc2ncnc3c2cnn3C(C)(C)C)c1 ZINC000301834784 945994141 /nfs/dbraw/zinc/99/41/41/945994141.db2.gz KPBMHARMGUAUSS-UHFFFAOYSA-N 2 1 352.486 3.645 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3cc(F)ccc23)C1 ZINC000302071112 946107112 /nfs/dbraw/zinc/10/71/12/946107112.db2.gz YLILTMUFXFVWJJ-GOSISDBHSA-N 2 1 351.425 3.553 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000520122792 946172102 /nfs/dbraw/zinc/17/21/02/946172102.db2.gz XWKDTOCIUUIGGI-RBUKOAKNSA-N 2 1 359.539 3.550 20 0 FHADMP O[C@]1(C[NH2+]Cc2cc3ccccc3s2)CC[N@H+](Cc2ccccc2)C1 ZINC000532330417 946282150 /nfs/dbraw/zinc/28/21/50/946282150.db2.gz JQPVHGMKRRDIJI-NRFANRHFSA-N 2 1 352.503 3.628 20 0 FHADMP O[C@]1(C[NH2+]Cc2cc3ccccc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000532330417 946282162 /nfs/dbraw/zinc/28/21/62/946282162.db2.gz JQPVHGMKRRDIJI-NRFANRHFSA-N 2 1 352.503 3.628 20 0 FHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441226677 946333274 /nfs/dbraw/zinc/33/32/74/946333274.db2.gz GRVLBMDJDWBSFD-TZIWHRDSSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441226677 946333282 /nfs/dbraw/zinc/33/32/82/946333282.db2.gz GRVLBMDJDWBSFD-TZIWHRDSSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441226677 946333290 /nfs/dbraw/zinc/33/32/90/946333290.db2.gz GRVLBMDJDWBSFD-TZIWHRDSSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441226677 946333296 /nfs/dbraw/zinc/33/32/96/946333296.db2.gz GRVLBMDJDWBSFD-TZIWHRDSSA-N 2 1 356.510 3.701 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259916 946356385 /nfs/dbraw/zinc/35/63/85/946356385.db2.gz FEURSESXMYFVET-HLAWJBBLSA-N 2 1 360.542 3.546 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067940 946428369 /nfs/dbraw/zinc/42/83/69/946428369.db2.gz VGLBHWPNHUVBSB-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067940 946428375 /nfs/dbraw/zinc/42/83/75/946428375.db2.gz VGLBHWPNHUVBSB-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067940 946428380 /nfs/dbraw/zinc/42/83/80/946428380.db2.gz VGLBHWPNHUVBSB-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP C[N@H+](CCOc1cccc(Br)c1)CC[C@@H]1CCCC[NH+]1C ZINC000441347055 946499789 /nfs/dbraw/zinc/49/97/89/946499789.db2.gz KNSQRYGSGZLSHP-INIZCTEOSA-N 2 1 355.320 3.634 20 0 FHADMP C[N@@H+](CCOc1cccc(Br)c1)CC[C@@H]1CCCC[NH+]1C ZINC000441347055 946499792 /nfs/dbraw/zinc/49/97/92/946499792.db2.gz KNSQRYGSGZLSHP-INIZCTEOSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1cccc(Br)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441347055 946499798 /nfs/dbraw/zinc/49/97/98/946499798.db2.gz KNSQRYGSGZLSHP-INIZCTEOSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1cccc(Br)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000441347055 946499800 /nfs/dbraw/zinc/49/98/00/946499800.db2.gz KNSQRYGSGZLSHP-INIZCTEOSA-N 2 1 355.320 3.634 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475512657 946538975 /nfs/dbraw/zinc/53/89/75/946538975.db2.gz ZNTMJLVVKXNCNR-ZDUSSCGKSA-N 2 1 372.270 3.584 20 0 FHADMP C[C@@H]1CC([N@@H+]2CCc3ccc(=O)[nH]c3CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058134 946598991 /nfs/dbraw/zinc/59/89/91/946598991.db2.gz BDDFJRJLZMBBMU-QZTJIDSGSA-N 2 1 365.521 3.629 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000475197201 946685985 /nfs/dbraw/zinc/68/59/85/946685985.db2.gz XMEWOVDZCSSNGU-IXDOHACOSA-N 2 1 361.555 3.879 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000119453174 946784119 /nfs/dbraw/zinc/78/41/19/946784119.db2.gz OCJUIOKLHPWDCR-AVRDEDQJSA-N 2 1 365.521 3.625 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281243 946816205 /nfs/dbraw/zinc/81/62/05/946816205.db2.gz CMMZPCZWJJAEFD-AEFFLSMTSA-N 2 1 369.475 3.991 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281248 946816909 /nfs/dbraw/zinc/81/69/09/946816909.db2.gz CMMZPCZWJJAEFD-SJLPKXTDSA-N 2 1 369.475 3.991 20 0 FHADMP COc1cc2c(c(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@H](C)C2 ZINC000475282270 946818143 /nfs/dbraw/zinc/81/81/43/946818143.db2.gz FQKXVJNFDPQVSV-MJGOQNOKSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c1)O[C@H](C)C2 ZINC000475282270 946818157 /nfs/dbraw/zinc/81/81/57/946818157.db2.gz FQKXVJNFDPQVSV-MJGOQNOKSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@H](C)C2 ZINC000475282270 946818167 /nfs/dbraw/zinc/81/81/67/946818167.db2.gz FQKXVJNFDPQVSV-MJGOQNOKSA-N 2 1 366.505 3.630 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288370 946826229 /nfs/dbraw/zinc/82/62/29/946826229.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288370 946826240 /nfs/dbraw/zinc/82/62/40/946826240.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288370 946826245 /nfs/dbraw/zinc/82/62/45/946826245.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288370 946826256 /nfs/dbraw/zinc/82/62/56/946826256.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288370 946826261 /nfs/dbraw/zinc/82/62/61/946826261.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 2 1 363.549 3.619 20 0 FHADMP Cc1cc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345619 946872287 /nfs/dbraw/zinc/87/22/87/946872287.db2.gz GUPZGUSDWGSSPU-NNMXDRDESA-N 2 1 360.542 3.716 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348640 946886363 /nfs/dbraw/zinc/88/63/63/946886363.db2.gz LRBCQKUDLMBHTN-QZNHQXDQSA-N 2 1 368.521 3.827 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)cc1F ZINC000652354139 946912306 /nfs/dbraw/zinc/91/23/06/946912306.db2.gz NWAOGOYLBVFREM-CRAIPNDOSA-N 2 1 360.477 3.566 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000164620274 946917722 /nfs/dbraw/zinc/91/77/22/946917722.db2.gz GWMVJSWORFEQCP-UHFFFAOYSA-N 2 1 360.933 3.879 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000123949616 946918157 /nfs/dbraw/zinc/91/81/57/946918157.db2.gz ITADEHVEAAYANA-IBGZPJMESA-N 2 1 369.484 3.786 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511921970 947006942 /nfs/dbraw/zinc/00/69/42/947006942.db2.gz JDJQBBFLGWAACR-BOYDRYHPSA-N 2 1 372.459 3.725 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933839 947021374 /nfs/dbraw/zinc/02/13/74/947021374.db2.gz GLNXZSPHRLFCOY-ZWKOTPCHSA-N 2 1 353.510 3.615 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933839 947021387 /nfs/dbraw/zinc/02/13/87/947021387.db2.gz GLNXZSPHRLFCOY-ZWKOTPCHSA-N 2 1 353.510 3.615 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933839 947021379 /nfs/dbraw/zinc/02/13/79/947021379.db2.gz GLNXZSPHRLFCOY-ZWKOTPCHSA-N 2 1 353.510 3.615 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113933839 947021396 /nfs/dbraw/zinc/02/13/96/947021396.db2.gz GLNXZSPHRLFCOY-ZWKOTPCHSA-N 2 1 353.510 3.615 20 0 FHADMP CC[C@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000662108204 947287365 /nfs/dbraw/zinc/28/73/65/947287365.db2.gz KICQTLCXFJVEFC-OAQYLSRUSA-N 2 1 359.558 3.837 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(Br)ccc2O)C1 ZINC000248581952 947292290 /nfs/dbraw/zinc/29/22/90/947292290.db2.gz WGAJTSKVTOBJKF-CZUORRHYSA-N 2 1 355.320 3.927 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)c(Cl)cc1O ZINC000248872491 947314641 /nfs/dbraw/zinc/31/46/41/947314641.db2.gz IFOJCKLQGCUINZ-OLZOCXBDSA-N 2 1 361.313 3.587 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)c(Cl)cc1O ZINC000248872491 947314654 /nfs/dbraw/zinc/31/46/54/947314654.db2.gz IFOJCKLQGCUINZ-OLZOCXBDSA-N 2 1 361.313 3.587 20 0 FHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000487474786 947321416 /nfs/dbraw/zinc/32/14/16/947321416.db2.gz YXFXVYJPXXWKEZ-HSZRJFAPSA-N 2 1 365.521 3.533 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000250134826 947337592 /nfs/dbraw/zinc/33/75/92/947337592.db2.gz XXRVTBGNSSDGMY-ZIAGYGMSSA-N 2 1 355.320 3.846 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)CCO1 ZINC000251738955 947348361 /nfs/dbraw/zinc/34/83/61/947348361.db2.gz PZPWARVOERJOLM-MBSDFSHPSA-N 2 1 365.521 3.944 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)CCO1 ZINC000251738955 947348377 /nfs/dbraw/zinc/34/83/77/947348377.db2.gz PZPWARVOERJOLM-MBSDFSHPSA-N 2 1 365.521 3.944 20 0 FHADMP Cn1c(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2ccccc21 ZINC000278856066 947387965 /nfs/dbraw/zinc/38/79/65/947387965.db2.gz KRFYMJSQBJVCIU-UHFFFAOYSA-N 2 1 363.509 3.528 20 0 FHADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460362 947608969 /nfs/dbraw/zinc/60/89/69/947608969.db2.gz CWYRIAKPBHMOJL-QIJUGHKUSA-N 2 1 369.553 3.552 20 0 FHADMP COc1ccccc1C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000662251157 947668553 /nfs/dbraw/zinc/66/85/53/947668553.db2.gz AFUWRUMKJDDDRA-NRFANRHFSA-N 2 1 366.505 3.522 20 0 FHADMP COc1ccc(Br)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000523861202 947671670 /nfs/dbraw/zinc/67/16/70/947671670.db2.gz FCYQZFVYDVCZLB-INIZCTEOSA-N 2 1 357.336 3.914 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264072 947682173 /nfs/dbraw/zinc/68/21/73/947682173.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 2 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264072 947682176 /nfs/dbraw/zinc/68/21/76/947682176.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 2 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264072 947682179 /nfs/dbraw/zinc/68/21/79/947682179.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 2 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264072 947682183 /nfs/dbraw/zinc/68/21/83/947682183.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 3 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264072 947682187 /nfs/dbraw/zinc/68/21/87/947682187.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 3 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264072 947682189 /nfs/dbraw/zinc/68/21/89/947682189.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 3 1 363.549 3.817 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264072 947682193 /nfs/dbraw/zinc/68/21/93/947682193.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 3 1 363.549 3.817 20 0 FHADMP Cc1ncsc1C[N@H+](CCc1nsc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000662268402 947689805 /nfs/dbraw/zinc/68/98/05/947689805.db2.gz XVBNATOKYRIGHU-HNNXBMFYSA-N 2 1 372.563 3.715 20 0 FHADMP Cc1ncsc1C[N@@H+](CCc1nsc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000662268402 947689811 /nfs/dbraw/zinc/68/98/11/947689811.db2.gz XVBNATOKYRIGHU-HNNXBMFYSA-N 2 1 372.563 3.715 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293685 947716509 /nfs/dbraw/zinc/71/65/09/947716509.db2.gz IDPGZSTVERWCCI-KRWDZBQOSA-N 2 1 363.933 3.607 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293685 947716516 /nfs/dbraw/zinc/71/65/16/947716516.db2.gz IDPGZSTVERWCCI-KRWDZBQOSA-N 2 1 363.933 3.607 20 0 FHADMP c1sc(Cc2ccccc2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292639 947716556 /nfs/dbraw/zinc/71/65/56/947716556.db2.gz GRYSTSIAWAFNKT-LJQANCHMSA-N 2 1 355.551 3.946 20 0 FHADMP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298417 947720557 /nfs/dbraw/zinc/72/05/57/947720557.db2.gz WCANKADRPKGCQT-BBRMVZONSA-N 2 1 374.554 3.786 20 0 FHADMP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298417 947720561 /nfs/dbraw/zinc/72/05/61/947720561.db2.gz WCANKADRPKGCQT-BBRMVZONSA-N 2 1 374.554 3.786 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CCO1 ZINC000662320502 947749108 /nfs/dbraw/zinc/74/91/08/947749108.db2.gz BTQYBUSCYXMFNT-QHCPKHFHSA-N 2 1 368.521 3.808 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CCO1 ZINC000662320502 947749116 /nfs/dbraw/zinc/74/91/16/947749116.db2.gz BTQYBUSCYXMFNT-QHCPKHFHSA-N 2 1 368.521 3.808 20 0 FHADMP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324341 947751016 /nfs/dbraw/zinc/75/10/16/947751016.db2.gz VLTGHVDQDDGPCR-QAPCUYQASA-N 2 1 358.448 3.852 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324435 947751035 /nfs/dbraw/zinc/75/10/35/947751035.db2.gz YADCEEASBGOQCQ-RHSMWYFYSA-N 2 1 360.420 3.689 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324435 947751040 /nfs/dbraw/zinc/75/10/40/947751040.db2.gz YADCEEASBGOQCQ-RHSMWYFYSA-N 2 1 360.420 3.689 20 0 FHADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662343425 947757348 /nfs/dbraw/zinc/75/73/48/947757348.db2.gz QAEWNVKNUBUFOE-FQEVSTJZSA-N 2 1 369.896 3.510 20 0 FHADMP FC(F)(F)CCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327089 947758479 /nfs/dbraw/zinc/75/84/79/947758479.db2.gz IQQUIBNLSBRMBG-UHFFFAOYSA-N 2 1 358.452 3.789 20 0 FHADMP Fc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c(F)c1 ZINC000662328423 947759944 /nfs/dbraw/zinc/75/99/44/947759944.db2.gz QTEUVSWRDRXGGO-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Fc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(F)c1 ZINC000662328423 947759949 /nfs/dbraw/zinc/75/99/49/947759949.db2.gz QTEUVSWRDRXGGO-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(OC(F)F)c1 ZINC000663345530 947813153 /nfs/dbraw/zinc/81/31/53/947813153.db2.gz KJKWBGJZIDXWBW-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(OC(F)F)c1 ZINC000663345530 947813161 /nfs/dbraw/zinc/81/31/61/947813161.db2.gz KJKWBGJZIDXWBW-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663347577 947820680 /nfs/dbraw/zinc/82/06/80/947820680.db2.gz PEYJCIMXDWJVQJ-MRXNPFEDSA-N 2 1 366.933 3.959 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347577 947820690 /nfs/dbraw/zinc/82/06/90/947820690.db2.gz PEYJCIMXDWJVQJ-MRXNPFEDSA-N 2 1 366.933 3.959 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000662467809 947832945 /nfs/dbraw/zinc/83/29/45/947832945.db2.gz GTTAFJLOLKQITI-SESVDKBCSA-N 2 1 359.558 3.509 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675981 947974065 /nfs/dbraw/zinc/97/40/65/947974065.db2.gz SDKJOGUNVJYVAZ-JLTOFOAXSA-N 2 1 373.447 3.835 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675981 947974066 /nfs/dbraw/zinc/97/40/66/947974066.db2.gz SDKJOGUNVJYVAZ-JLTOFOAXSA-N 2 1 373.447 3.835 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000549612266 948013012 /nfs/dbraw/zinc/01/30/12/948013012.db2.gz ULDPOHQBJCOVGA-UIFIKXQLSA-N 2 1 358.526 3.878 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466058 948051492 /nfs/dbraw/zinc/05/14/92/948051492.db2.gz NQWFBOVJOUHWDT-DZGCQCFKSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466058 948051495 /nfs/dbraw/zinc/05/14/95/948051495.db2.gz NQWFBOVJOUHWDT-DZGCQCFKSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466058 948051503 /nfs/dbraw/zinc/05/15/03/948051503.db2.gz NQWFBOVJOUHWDT-DZGCQCFKSA-N 2 1 352.320 3.617 20 0 FHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000511986015 948054420 /nfs/dbraw/zinc/05/44/20/948054420.db2.gz AWKRZYRAVPNBGV-PXNSSMCTSA-N 2 1 359.539 3.771 20 0 FHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000511986017 948054509 /nfs/dbraw/zinc/05/45/09/948054509.db2.gz AWKRZYRAVPNBGV-XLIONFOSSA-N 2 1 359.539 3.771 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466786 948058127 /nfs/dbraw/zinc/05/81/27/948058127.db2.gz ACFHXXORCUQQTB-UYAOXDASSA-N 2 1 357.542 3.732 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058199 /nfs/dbraw/zinc/05/81/99/948058199.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058203 /nfs/dbraw/zinc/05/82/03/948058203.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058207 /nfs/dbraw/zinc/05/82/07/948058207.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058210 /nfs/dbraw/zinc/05/82/10/948058210.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058218 /nfs/dbraw/zinc/05/82/18/948058218.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058223 /nfs/dbraw/zinc/05/82/23/948058223.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058227 /nfs/dbraw/zinc/05/82/27/948058227.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 3 1 367.581 3.894 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821583 948079810 /nfs/dbraw/zinc/07/98/10/948079810.db2.gz DWCPVVOIBQMVEK-FYYLOGMGSA-N 2 1 373.585 3.868 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000166233417 948098208 /nfs/dbraw/zinc/09/82/08/948098208.db2.gz UVQINPIYRKSWIW-RBUKOAKNSA-N 2 1 367.493 3.989 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)cc1 ZINC000166233417 948098214 /nfs/dbraw/zinc/09/82/14/948098214.db2.gz UVQINPIYRKSWIW-RBUKOAKNSA-N 2 1 367.493 3.989 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823775 948103134 /nfs/dbraw/zinc/10/31/34/948103134.db2.gz AABUVKFDSNKVBZ-UONOGXRCSA-N 2 1 362.440 3.778 20 0 FHADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(Br)c1 ZINC000511997273 948141392 /nfs/dbraw/zinc/14/13/92/948141392.db2.gz QYWAFRNIGGCNMP-UHFFFAOYSA-N 2 1 352.276 3.533 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827820 948159698 /nfs/dbraw/zinc/15/96/98/948159698.db2.gz XUFVDZSUQNQSFT-ZWKOTPCHSA-N 2 1 355.567 3.686 20 0 FHADMP CSC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925786617 948168578 /nfs/dbraw/zinc/16/85/78/948168578.db2.gz XECBGRNJHOJONP-UONOGXRCSA-N 2 1 368.415 3.944 20 0 FHADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527394 948169808 /nfs/dbraw/zinc/16/98/08/948169808.db2.gz MCDJUABCFKLOOA-ISVAXAHUSA-N 2 1 351.210 3.856 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045628 948295845 /nfs/dbraw/zinc/29/58/45/948295845.db2.gz NUMPEZXBHRXQRQ-PKOBYXMFSA-N 2 1 372.582 3.595 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167835591 948300506 /nfs/dbraw/zinc/30/05/06/948300506.db2.gz RRXAUHRPJMJPJN-IEBWSBKVSA-N 2 1 367.578 3.971 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001167839552 948315191 /nfs/dbraw/zinc/31/51/91/948315191.db2.gz ZYPAMRMZLMXOSN-OTWHNJEPSA-N 2 1 367.578 3.686 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409734 948353119 /nfs/dbraw/zinc/35/31/19/948353119.db2.gz IMBZIFBKHKNWRW-JKSUJKDBSA-N 2 1 374.447 3.779 20 0 FHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432408582 948356915 /nfs/dbraw/zinc/35/69/15/948356915.db2.gz CGFLTTZMBDMYEK-CVEARBPZSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432408582 948356923 /nfs/dbraw/zinc/35/69/23/948356923.db2.gz CGFLTTZMBDMYEK-CVEARBPZSA-N 2 1 358.448 3.727 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412105 948360251 /nfs/dbraw/zinc/36/02/51/948360251.db2.gz AGSYEOLVKZYVOU-MOPGFXCFSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412105 948360259 /nfs/dbraw/zinc/36/02/59/948360259.db2.gz AGSYEOLVKZYVOU-MOPGFXCFSA-N 2 1 353.510 3.900 20 0 FHADMP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000520604324 948377753 /nfs/dbraw/zinc/37/77/53/948377753.db2.gz DHACVFTVKCMTER-QGZVFWFLSA-N 2 1 371.529 3.907 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167842926 948397068 /nfs/dbraw/zinc/39/70/68/948397068.db2.gz ZRAJIXWVRMAEHP-SQNIBIBYSA-N 2 1 355.567 3.732 20 0 FHADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000512094201 948405494 /nfs/dbraw/zinc/40/54/94/948405494.db2.gz HOWBLWNHABKCNM-HDAAZOAOSA-N 2 1 357.542 3.509 20 0 FHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374944 948438470 /nfs/dbraw/zinc/43/84/70/948438470.db2.gz YRFSCSKDHLRIMY-IEBWSBKVSA-N 2 1 352.526 3.932 20 0 FHADMP C[C@@H]1CC([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005033 948439668 /nfs/dbraw/zinc/43/96/68/948439668.db2.gz FAAXSVDSPIOOPJ-IAGOWNOFSA-N 2 1 373.541 3.637 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432451423 948458423 /nfs/dbraw/zinc/45/84/23/948458423.db2.gz ZWDSMIPYEDOHMC-APWZRJJASA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432451423 948458428 /nfs/dbraw/zinc/45/84/28/948458428.db2.gz ZWDSMIPYEDOHMC-APWZRJJASA-N 2 1 366.933 3.953 20 0 FHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152394896 948483534 /nfs/dbraw/zinc/48/35/34/948483534.db2.gz PTDTWPAVFLSYAY-APPDUMDISA-N 2 1 353.279 3.649 20 0 FHADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152394988 948483631 /nfs/dbraw/zinc/48/36/31/948483631.db2.gz PTDTWPAVFLSYAY-GTNSWQLSSA-N 2 1 353.279 3.649 20 0 FHADMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663693894 948649959 /nfs/dbraw/zinc/64/99/59/948649959.db2.gz BMFBESWEDWJTKF-MJGOQNOKSA-N 2 1 369.484 3.655 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000512180350 948696979 /nfs/dbraw/zinc/69/69/79/948696979.db2.gz NYECOMKTVMTBAK-HUUCEWRRSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C[C@H](C)O1 ZINC000110427338 209323384 /nfs/dbraw/zinc/32/33/84/209323384.db2.gz MGVSMJGBEFTEHU-CALCHBBNSA-N 2 1 371.500 3.695 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000186945766 568020819 /nfs/dbraw/zinc/02/08/19/568020819.db2.gz XFYPGXYKGREAQZ-GFCCVEGCSA-N 2 1 366.278 3.896 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000521428149 568025004 /nfs/dbraw/zinc/02/50/04/568025004.db2.gz XPJHPONOHBLOPP-QGZVFWFLSA-N 2 1 363.521 3.905 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000604011213 568198335 /nfs/dbraw/zinc/19/83/35/568198335.db2.gz GZOLBPQWIRPMAO-IBGZPJMESA-N 2 1 369.509 3.516 20 0 FHADMP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604331336 568250970 /nfs/dbraw/zinc/25/09/70/568250970.db2.gz FYMZOYQVFZJKAE-PZJWPPBQSA-N 2 1 363.590 3.514 20 0 FHADMP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604331336 568250971 /nfs/dbraw/zinc/25/09/71/568250971.db2.gz FYMZOYQVFZJKAE-PZJWPPBQSA-N 2 1 363.590 3.514 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000604384450 568287789 /nfs/dbraw/zinc/28/77/89/568287789.db2.gz PKLHRJMELYLNFW-OAQYLSRUSA-N 2 1 357.542 3.626 20 0 FHADMP CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1cccc(Cl)c1 ZINC000365226332 568338966 /nfs/dbraw/zinc/33/89/66/568338966.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 2 1 361.961 3.938 20 0 FHADMP C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338967 /nfs/dbraw/zinc/33/89/67/568338967.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 2 1 361.961 3.938 20 0 FHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338968 /nfs/dbraw/zinc/33/89/68/568338968.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338969 /nfs/dbraw/zinc/33/89/69/568338969.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338970 /nfs/dbraw/zinc/33/89/70/568338970.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 2 1 361.961 3.938 20 0 FHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604774371 568364137 /nfs/dbraw/zinc/36/41/37/568364137.db2.gz TUZQEYWRHFCFHU-UYAOXDASSA-N 2 1 361.574 3.768 20 0 FHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050030008 568664266 /nfs/dbraw/zinc/66/42/66/568664266.db2.gz MYNKEPDCXZKQCC-FQEVSTJZSA-N 2 1 351.494 3.599 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410101 607014804 /nfs/dbraw/zinc/01/48/04/607014804.db2.gz DCVQNFFPLCRHSI-GUXCAODWSA-N 2 1 368.529 3.560 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cc(N3CCCC3)cc[nH+]2)cc1 ZINC001164630896 719087599 /nfs/dbraw/zinc/08/75/99/719087599.db2.gz XHKCIENNSIHBJK-UNMCSNQZSA-N 2 1 362.521 3.783 20 0 FHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164620034 719124380 /nfs/dbraw/zinc/12/43/80/719124380.db2.gz GMVJDAWMUOXJSO-IPMKNSEASA-N 2 1 360.521 3.532 20 0 FHADMP Cc1cccc2c(C)cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc12 ZINC001164684282 719605346 /nfs/dbraw/zinc/60/53/46/719605346.db2.gz OFINEGLSTSWCDG-UHFFFAOYSA-N 2 1 363.509 3.523 20 0 FHADMP Cc1cccc2c(C)cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc12 ZINC001164684282 719605352 /nfs/dbraw/zinc/60/53/52/719605352.db2.gz OFINEGLSTSWCDG-UHFFFAOYSA-N 2 1 363.509 3.523 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942988 936314911 /nfs/dbraw/zinc/31/49/11/936314911.db2.gz FMESUAQFHWUHLR-OALUTQOASA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942988 936314916 /nfs/dbraw/zinc/31/49/16/936314916.db2.gz FMESUAQFHWUHLR-OALUTQOASA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942988 936314921 /nfs/dbraw/zinc/31/49/21/936314921.db2.gz FMESUAQFHWUHLR-OALUTQOASA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942988 936314926 /nfs/dbraw/zinc/31/49/26/936314926.db2.gz FMESUAQFHWUHLR-OALUTQOASA-N 2 1 367.537 3.625 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H]3CCSc4ccccc43)CC2)nc(C)[nH+]1 ZINC000162246274 936363120 /nfs/dbraw/zinc/36/31/20/936363120.db2.gz RUJADGROFIUXDN-SFHVURJKSA-N 2 1 354.523 3.889 20 0 FHADMP Cc1nc2ccccn2c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579696214 927111549 /nfs/dbraw/zinc/11/15/49/927111549.db2.gz HLQHYCGGEODTPC-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579696214 927111551 /nfs/dbraw/zinc/11/15/51/927111551.db2.gz HLQHYCGGEODTPC-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579696214 927111554 /nfs/dbraw/zinc/11/15/54/927111554.db2.gz HLQHYCGGEODTPC-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579696214 927111578 /nfs/dbraw/zinc/11/15/78/927111578.db2.gz HLQHYCGGEODTPC-RTWAWAEBSA-N 2 1 360.505 3.597 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000510055323 927496118 /nfs/dbraw/zinc/49/61/18/927496118.db2.gz LKSUWXHLIKFPJU-QGZVFWFLSA-N 2 1 366.937 3.528 20 0 FHADMP CC[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072560 927674563 /nfs/dbraw/zinc/67/45/63/927674563.db2.gz PTOSWPLHVBREOT-HLAWJBBLSA-N 2 1 359.558 3.524 20 0 FHADMP CCc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1CC ZINC000655027060 927880945 /nfs/dbraw/zinc/88/09/45/927880945.db2.gz SSDNVBBPHUHBIX-UHFFFAOYSA-N 2 1 371.569 3.946 20 0 FHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000607729124 927929374 /nfs/dbraw/zinc/92/93/74/927929374.db2.gz IXKFEFVCIJFSER-KRWDZBQOSA-N 2 1 356.514 3.775 20 0 FHADMP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c2ccccc2C1 ZINC000413362770 928266491 /nfs/dbraw/zinc/26/64/91/928266491.db2.gz MFOKRWXVXAEPFO-UHFFFAOYSA-N 2 1 363.505 3.765 20 0 FHADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c2ccccc2C1 ZINC000413362770 928266505 /nfs/dbraw/zinc/26/65/05/928266505.db2.gz MFOKRWXVXAEPFO-UHFFFAOYSA-N 2 1 363.505 3.765 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647279983 937243944 /nfs/dbraw/zinc/24/39/44/937243944.db2.gz KINVUTXUUWQTIB-UXHICEINSA-N 2 1 372.582 3.809 20 0 FHADMP Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157682829 928431143 /nfs/dbraw/zinc/43/11/43/928431143.db2.gz PAPFVHYAAMTGRJ-WZONZLPQSA-N 2 1 369.553 3.511 20 0 FHADMP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119615263 928689299 /nfs/dbraw/zinc/68/92/99/928689299.db2.gz NXSMNHFMENIGTC-AKIFATBCSA-N 2 1 355.570 3.751 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119615263 928689307 /nfs/dbraw/zinc/68/93/07/928689307.db2.gz NXSMNHFMENIGTC-AKIFATBCSA-N 3 1 355.570 3.751 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119615263 928689313 /nfs/dbraw/zinc/68/93/13/928689313.db2.gz NXSMNHFMENIGTC-AKIFATBCSA-N 3 1 355.570 3.751 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442488 929165293 /nfs/dbraw/zinc/16/52/93/929165293.db2.gz RDHPSMOANRFAGR-KNQAVFIVSA-N 2 1 355.526 3.779 20 0 FHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H](C)C2 ZINC000180010614 929308470 /nfs/dbraw/zinc/30/84/70/929308470.db2.gz YWJLFWOXXDMLMZ-MBSDFSHPSA-N 2 1 350.506 3.850 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125917675 937344014 /nfs/dbraw/zinc/34/40/14/937344014.db2.gz DXIZMHSCWRVKFB-OAQYLSRUSA-N 2 1 359.477 3.848 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000180644113 929609014 /nfs/dbraw/zinc/60/90/14/929609014.db2.gz FSUWHPBCIIDIFZ-GMAHTHKFSA-N 2 1 350.506 3.811 20 0 FHADMP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312572965 929695422 /nfs/dbraw/zinc/69/54/22/929695422.db2.gz VCTMBSVMMXPHIK-YLJYHZDGSA-N 2 1 361.489 3.941 20 0 FHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000078965880 929850873 /nfs/dbraw/zinc/85/08/73/929850873.db2.gz UZCTZRDNECASEM-UHFFFAOYSA-N 2 1 373.541 3.640 20 0 FHADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000580022828 929913925 /nfs/dbraw/zinc/91/39/25/929913925.db2.gz UQHXONVIAVSUOA-CQSZACIVSA-N 2 1 374.326 3.932 20 0 FHADMP C[C@@]1(CNCc2cn3cc(Cl)ccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000382340915 930039562 /nfs/dbraw/zinc/03/95/62/930039562.db2.gz YLRPDMSWPDVIDP-NRFANRHFSA-N 2 1 368.912 3.990 20 0 FHADMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccccc3Cl)CC1)C2 ZINC000126531247 937392952 /nfs/dbraw/zinc/39/29/52/937392952.db2.gz JMRVBQQYQVUYGE-IHWFROFDSA-N 2 1 361.961 3.909 20 0 FHADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccccc3Cl)CC1)C2 ZINC000126531247 937392954 /nfs/dbraw/zinc/39/29/54/937392954.db2.gz JMRVBQQYQVUYGE-IHWFROFDSA-N 2 1 361.961 3.909 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371279 930173979 /nfs/dbraw/zinc/17/39/79/930173979.db2.gz FMCWOIFANWRIRG-NVXWUHKLSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371279 930173986 /nfs/dbraw/zinc/17/39/86/930173986.db2.gz FMCWOIFANWRIRG-NVXWUHKLSA-N 2 1 353.913 3.640 20 0 FHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)C1 ZINC000580104765 930248420 /nfs/dbraw/zinc/24/84/20/930248420.db2.gz CZZJUFWWEKTBMS-WMLDXEAASA-N 2 1 353.457 3.816 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064610 930268271 /nfs/dbraw/zinc/26/82/71/930268271.db2.gz KMNLTUZGOALLFX-DENIHFKCSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064610 930268275 /nfs/dbraw/zinc/26/82/75/930268275.db2.gz KMNLTUZGOALLFX-DENIHFKCSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064610 930268276 /nfs/dbraw/zinc/26/82/76/930268276.db2.gz KMNLTUZGOALLFX-DENIHFKCSA-N 2 1 371.569 3.668 20 0 FHADMP COC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(Cl)c1 ZINC000580134399 930288557 /nfs/dbraw/zinc/28/85/57/930288557.db2.gz APMKISDHGYJNFD-LJQANCHMSA-N 2 1 362.901 3.758 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397953584 930479780 /nfs/dbraw/zinc/47/97/80/930479780.db2.gz ASEBDTQBAZIHRB-NRDMVMEKSA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397953584 930479785 /nfs/dbraw/zinc/47/97/85/930479785.db2.gz ASEBDTQBAZIHRB-NRDMVMEKSA-N 2 1 358.526 3.609 20 0 FHADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OCc1ccc(F)cc1 ZINC000580345582 930546795 /nfs/dbraw/zinc/54/67/95/930546795.db2.gz MBUGRIXGVAIVKX-UHFFFAOYSA-N 2 1 358.457 3.599 20 0 FHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000656256921 930898561 /nfs/dbraw/zinc/89/85/61/930898561.db2.gz DPLBNOOPALHQCW-UHFFFAOYSA-N 2 1 358.917 3.894 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000580603907 930912768 /nfs/dbraw/zinc/91/27/68/930912768.db2.gz BPULYIRPYYXHLM-MRXNPFEDSA-N 2 1 366.431 3.820 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000580603907 930912778 /nfs/dbraw/zinc/91/27/78/930912778.db2.gz BPULYIRPYYXHLM-MRXNPFEDSA-N 2 1 366.431 3.820 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424283 930939567 /nfs/dbraw/zinc/93/95/67/930939567.db2.gz GIMWDSOROLLANK-HSALFYBXSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424283 930939574 /nfs/dbraw/zinc/93/95/74/930939574.db2.gz GIMWDSOROLLANK-HSALFYBXSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424283 930939581 /nfs/dbraw/zinc/93/95/81/930939581.db2.gz GIMWDSOROLLANK-HSALFYBXSA-N 2 1 350.547 3.649 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001167424283 930939587 /nfs/dbraw/zinc/93/95/87/930939587.db2.gz GIMWDSOROLLANK-HSALFYBXSA-N 2 1 350.547 3.649 20 0 FHADMP Cc1cc(CN2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc(C)c1F ZINC001143380796 930991153 /nfs/dbraw/zinc/99/11/53/930991153.db2.gz VZYFMMYIVDDHLY-UHFFFAOYSA-N 2 1 370.516 3.807 20 0 FHADMP Cc1cc(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)cc(C)c1F ZINC001143380796 930991157 /nfs/dbraw/zinc/99/11/57/930991157.db2.gz VZYFMMYIVDDHLY-UHFFFAOYSA-N 2 1 370.516 3.807 20 0 FHADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C2CCOCC2)c1)C1CCOCC1 ZINC000580755279 931112661 /nfs/dbraw/zinc/11/26/61/931112661.db2.gz OHFZYZOICVRFGK-UHFFFAOYSA-N 2 1 366.933 3.562 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801761 931166186 /nfs/dbraw/zinc/16/61/86/931166186.db2.gz WYSDEHUNVQQQMR-KBPBESRZSA-N 2 1 357.311 3.839 20 0 FHADMP COc1ccccc1C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC000581076384 931541885 /nfs/dbraw/zinc/54/18/85/931541885.db2.gz DWEGOUGJNRTOBL-QFIPXVFZSA-N 2 1 366.505 3.522 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000581100778 931565950 /nfs/dbraw/zinc/56/59/50/931565950.db2.gz QIGWXHIQTPXNPA-MRXNPFEDSA-N 2 1 370.440 3.623 20 0 FHADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164253 931690471 /nfs/dbraw/zinc/69/04/71/931690471.db2.gz UXLREKZVMUVPNT-NRFANRHFSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164253 931690475 /nfs/dbraw/zinc/69/04/75/931690475.db2.gz UXLREKZVMUVPNT-NRFANRHFSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164253 931690479 /nfs/dbraw/zinc/69/04/79/931690479.db2.gz UXLREKZVMUVPNT-NRFANRHFSA-N 2 1 371.569 3.669 20 0 FHADMP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548155926 931692940 /nfs/dbraw/zinc/69/29/40/931692940.db2.gz JWKKYRVWVHBIEF-WIYYLYMNSA-N 2 1 353.510 3.869 20 0 FHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000581246075 931732888 /nfs/dbraw/zinc/73/28/88/931732888.db2.gz HJVWPYKKSLSDEK-UHFFFAOYSA-N 2 1 357.473 3.574 20 0 FHADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000430578248 931941348 /nfs/dbraw/zinc/94/13/48/931941348.db2.gz WFXBMOCZAKXLOE-OAQYLSRUSA-N 2 1 353.466 3.525 20 0 FHADMP [NH3+]CC1CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000430615317 932300421 /nfs/dbraw/zinc/30/04/21/932300421.db2.gz BESRQRPFKDIXOT-UHFFFAOYSA-N 2 1 351.903 3.546 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621870 932356539 /nfs/dbraw/zinc/35/65/39/932356539.db2.gz KSNWIHVQVYBVLF-UTKZUKDTSA-N 2 1 351.494 3.884 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621870 932356544 /nfs/dbraw/zinc/35/65/44/932356544.db2.gz KSNWIHVQVYBVLF-UTKZUKDTSA-N 2 1 351.494 3.884 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000656782015 932410989 /nfs/dbraw/zinc/41/09/89/932410989.db2.gz CPJIDOFKXZZOHP-JOCHJYFZSA-N 2 1 365.521 3.872 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)ccn1 ZINC000656784700 932419288 /nfs/dbraw/zinc/41/92/88/932419288.db2.gz FXKXZXXBJGIBBD-JOCHJYFZSA-N 2 1 365.521 3.872 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656787067 932425804 /nfs/dbraw/zinc/42/58/04/932425804.db2.gz ZTJHPXOWFDBQRN-QFIPXVFZSA-N 2 1 366.553 3.760 20 0 FHADMP COc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656786771 932426022 /nfs/dbraw/zinc/42/60/22/932426022.db2.gz XMWLNFUDBRJAFE-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1ncc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000090403407 932553312 /nfs/dbraw/zinc/55/33/12/932553312.db2.gz IUZMEZYMRAPAHT-SFHVURJKSA-N 2 1 372.582 3.700 20 0 FHADMP Cc1ncc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000090403405 932553893 /nfs/dbraw/zinc/55/38/93/932553893.db2.gz IUZMEZYMRAPAHT-GOSISDBHSA-N 2 1 372.582 3.700 20 0 FHADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411341 932588085 /nfs/dbraw/zinc/58/80/85/932588085.db2.gz KECLYCQEFZIMSS-MAUKXSAKSA-N 2 1 356.432 3.934 20 0 FHADMP CN(C)C(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000581777952 932668301 /nfs/dbraw/zinc/66/83/01/932668301.db2.gz WVKFEZLDFYEVIV-UHFFFAOYSA-N 2 1 358.530 3.667 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430658636 932672368 /nfs/dbraw/zinc/67/23/68/932672368.db2.gz YAWMSYSXZIVHCP-LJQANCHMSA-N 2 1 360.505 3.971 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430658636 932672372 /nfs/dbraw/zinc/67/23/72/932672372.db2.gz YAWMSYSXZIVHCP-LJQANCHMSA-N 2 1 360.505 3.971 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430672182 932855144 /nfs/dbraw/zinc/85/51/44/932855144.db2.gz ZCAFOFRJLSMKBA-SFHVURJKSA-N 2 1 351.494 3.614 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000548336994 933016008 /nfs/dbraw/zinc/01/60/08/933016008.db2.gz ROYXGJAGTJERNT-HNNXBMFYSA-N 2 1 372.900 3.609 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000067507159 933144880 /nfs/dbraw/zinc/14/48/80/933144880.db2.gz XPNCOHWHJKGGDH-MRXNPFEDSA-N 2 1 352.482 3.653 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2-c2ccccc2OC)CC1 ZINC000430727025 933185083 /nfs/dbraw/zinc/18/50/83/933185083.db2.gz GFRQSXKZFXXNHZ-UHFFFAOYSA-N 2 1 370.541 3.825 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740116 933191306 /nfs/dbraw/zinc/19/13/06/933191306.db2.gz JCKBCTFQSUBPCU-LAUBAEHRSA-N 2 1 351.494 3.600 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000430796993 933244484 /nfs/dbraw/zinc/24/44/84/933244484.db2.gz BYHUSSUJCWFHIZ-HRQSHJORSA-N 2 1 373.541 3.532 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000430796993 933244491 /nfs/dbraw/zinc/24/44/91/933244491.db2.gz BYHUSSUJCWFHIZ-HRQSHJORSA-N 2 1 373.541 3.532 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388764 933292640 /nfs/dbraw/zinc/29/26/40/933292640.db2.gz TUMXTJPSFCXYSV-UXHICEINSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548388764 933292647 /nfs/dbraw/zinc/29/26/47/933292647.db2.gz TUMXTJPSFCXYSV-UXHICEINSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548388764 933292652 /nfs/dbraw/zinc/29/26/52/933292652.db2.gz TUMXTJPSFCXYSV-UXHICEINSA-N 2 1 363.590 3.754 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000089127530 933414117 /nfs/dbraw/zinc/41/41/17/933414117.db2.gz RITGQBNMTDUATI-HXUWFJFHSA-N 2 1 365.949 3.569 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000089127530 933414120 /nfs/dbraw/zinc/41/41/20/933414120.db2.gz RITGQBNMTDUATI-HXUWFJFHSA-N 2 1 365.949 3.569 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597938 934155905 /nfs/dbraw/zinc/15/59/05/934155905.db2.gz CHBMTEPNRHQNIL-HXUWFJFHSA-N 2 1 351.494 3.578 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597938 934155911 /nfs/dbraw/zinc/15/59/11/934155911.db2.gz CHBMTEPNRHQNIL-HXUWFJFHSA-N 2 1 351.494 3.578 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000684579543 934169675 /nfs/dbraw/zinc/16/96/75/934169675.db2.gz IWTWSRFJEGHGDF-SFHVURJKSA-N 2 1 363.461 3.509 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000510977449 934246347 /nfs/dbraw/zinc/24/63/47/934246347.db2.gz PTGPQLLTSDCNND-LBPRGKRZSA-N 2 1 369.250 3.537 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000610814290 934493770 /nfs/dbraw/zinc/49/37/70/934493770.db2.gz FTAUHMZZNWBOBT-BBRMVZONSA-N 2 1 372.294 3.674 20 0 FHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1C[NH+](C)C ZINC000458284748 934591646 /nfs/dbraw/zinc/59/16/46/934591646.db2.gz NPELPLDJESDFSV-NRFANRHFSA-N 2 1 369.484 3.799 20 0 FHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1C[NH+](C)C ZINC000458284748 934591651 /nfs/dbraw/zinc/59/16/51/934591651.db2.gz NPELPLDJESDFSV-NRFANRHFSA-N 2 1 369.484 3.799 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cc1 ZINC000151510965 934791754 /nfs/dbraw/zinc/79/17/54/934791754.db2.gz KGHXXAAOTVWSFP-MRXNPFEDSA-N 2 1 358.449 3.612 20 0 FHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510999787 934842274 /nfs/dbraw/zinc/84/22/74/934842274.db2.gz NZQDWSGOWHNFPZ-QUCCMNQESA-N 2 1 359.558 3.524 20 0 FHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510999787 934842280 /nfs/dbraw/zinc/84/22/80/934842280.db2.gz NZQDWSGOWHNFPZ-QUCCMNQESA-N 2 1 359.558 3.524 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010243 934877485 /nfs/dbraw/zinc/87/74/85/934877485.db2.gz ISONCKJRHYYVLX-WIYYLYMNSA-N 2 1 367.537 3.912 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000511010243 934877486 /nfs/dbraw/zinc/87/74/86/934877486.db2.gz ISONCKJRHYYVLX-WIYYLYMNSA-N 2 1 367.537 3.912 20 0 FHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000537969300 934993735 /nfs/dbraw/zinc/99/37/35/934993735.db2.gz SVJWVGSTOOAZCM-XHSDSOJGSA-N 2 1 369.347 3.989 20 0 FHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000439909353 945072395 /nfs/dbraw/zinc/07/23/95/945072395.db2.gz FNOPMGMFXJZGLK-TZIWHRDSSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909353 945072403 /nfs/dbraw/zinc/07/24/03/945072403.db2.gz FNOPMGMFXJZGLK-TZIWHRDSSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909353 945072415 /nfs/dbraw/zinc/07/24/15/945072415.db2.gz FNOPMGMFXJZGLK-TZIWHRDSSA-N 2 1 372.557 3.703 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130398193 935068520 /nfs/dbraw/zinc/06/85/20/935068520.db2.gz BYYBMEWMDQTASF-NXHRZFHOSA-N 2 1 356.432 3.857 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130398193 935068527 /nfs/dbraw/zinc/06/85/27/935068527.db2.gz BYYBMEWMDQTASF-NXHRZFHOSA-N 2 1 356.432 3.857 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Br ZINC000511049077 935078984 /nfs/dbraw/zinc/07/89/84/935078984.db2.gz LLZFAHUGVUKUBB-GFCCVEGCSA-N 2 1 352.276 3.704 20 0 FHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000431336745 935145076 /nfs/dbraw/zinc/14/50/76/935145076.db2.gz FNDHNUJGLWZZMG-NRFANRHFSA-N 2 1 370.537 3.624 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336743 935261936 /nfs/dbraw/zinc/26/19/36/935261936.db2.gz ZVWZLBOJEQQKTB-UHFFFAOYSA-N 2 1 366.347 3.897 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000399659492 935281697 /nfs/dbraw/zinc/28/16/97/935281697.db2.gz PHFRMFLGJZUHRC-SVGJNIJCSA-N 2 1 361.533 3.766 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000399659492 935281702 /nfs/dbraw/zinc/28/17/02/935281702.db2.gz PHFRMFLGJZUHRC-SVGJNIJCSA-N 2 1 361.533 3.766 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000657358460 935348138 /nfs/dbraw/zinc/34/81/38/935348138.db2.gz WWCMAJUQZXNONC-SEJPIABJSA-N 2 1 364.537 3.973 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000657358460 935348145 /nfs/dbraw/zinc/34/81/45/935348145.db2.gz WWCMAJUQZXNONC-SEJPIABJSA-N 2 1 364.537 3.973 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4ccncc4s3)CC2)oc1C ZINC000657369278 935403384 /nfs/dbraw/zinc/40/33/84/935403384.db2.gz CABUOFJJPUVDKL-UHFFFAOYSA-N 2 1 370.522 3.903 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161184754 935421472 /nfs/dbraw/zinc/42/14/72/935421472.db2.gz RMDCVHYINMYKEA-KRWDZBQOSA-N 2 1 374.573 3.570 20 0 FHADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000657400071 935563512 /nfs/dbraw/zinc/56/35/12/935563512.db2.gz LCUDXJRREFAPQW-SFTDATJTSA-N 2 1 356.510 3.853 20 0 FHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000582368185 935573469 /nfs/dbraw/zinc/57/34/69/935573469.db2.gz AFXOVJPPOKQBGA-UHFFFAOYSA-N 2 1 358.433 3.708 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](CC)CN1C(C)=O ZINC001167568492 935599993 /nfs/dbraw/zinc/59/99/93/935599993.db2.gz UECBRZBCVVMZHC-XZOQPEGZSA-N 2 1 371.569 3.894 20 0 FHADMP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000158526143 935619072 /nfs/dbraw/zinc/61/90/72/935619072.db2.gz RLDUXARUPUSWNA-HNNXBMFYSA-N 2 1 364.946 3.789 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000657413623 935628408 /nfs/dbraw/zinc/62/84/08/935628408.db2.gz OJMCRGINXBYUHA-HNNXBMFYSA-N 2 1 354.336 3.610 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000657413623 935628409 /nfs/dbraw/zinc/62/84/09/935628409.db2.gz OJMCRGINXBYUHA-HNNXBMFYSA-N 2 1 354.336 3.610 20 0 FHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000519106229 945113755 /nfs/dbraw/zinc/11/37/55/945113755.db2.gz SDVOUKOTJCMSJK-NRFANRHFSA-N 2 1 369.509 3.649 20 0 FHADMP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1=O ZINC000563358468 935717328 /nfs/dbraw/zinc/71/73/28/935717328.db2.gz YIHATTHDYIMWHD-IBGZPJMESA-N 2 1 367.537 3.627 20 0 FHADMP Cn1c2ccccc2cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1=O ZINC000563358468 935717332 /nfs/dbraw/zinc/71/73/32/935717332.db2.gz YIHATTHDYIMWHD-IBGZPJMESA-N 2 1 367.537 3.627 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237079234 935718379 /nfs/dbraw/zinc/71/83/79/935718379.db2.gz QQXUYEUCDUXAQU-FQEVSTJZSA-N 2 1 351.494 3.647 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000159017842 935783830 /nfs/dbraw/zinc/78/38/30/935783830.db2.gz IURJOFZMKJWELH-SJORKVTESA-N 2 1 356.489 3.774 20 0 FHADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000582546259 935812320 /nfs/dbraw/zinc/81/23/20/935812320.db2.gz IOZSALXSDDCQFC-MRXNPFEDSA-N 2 1 357.885 3.763 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657469076 935832775 /nfs/dbraw/zinc/83/27/75/935832775.db2.gz FPSRPMLSDXWYSV-IBGZPJMESA-N 2 1 352.526 3.689 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657469076 935832778 /nfs/dbraw/zinc/83/27/78/935832778.db2.gz FPSRPMLSDXWYSV-IBGZPJMESA-N 2 1 352.526 3.689 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586068 935846470 /nfs/dbraw/zinc/84/64/70/935846470.db2.gz GXYKNDASPNONHT-ROUUACIJSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586068 935846472 /nfs/dbraw/zinc/84/64/72/935846472.db2.gz GXYKNDASPNONHT-ROUUACIJSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586068 935846474 /nfs/dbraw/zinc/84/64/74/935846474.db2.gz GXYKNDASPNONHT-ROUUACIJSA-N 2 1 355.567 3.876 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000413505576 935862711 /nfs/dbraw/zinc/86/27/11/935862711.db2.gz VBCQAQBQMYXMHY-NQIIRXRSSA-N 2 1 357.542 3.617 20 0 FHADMP c1cc2cc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000511793820 945131136 /nfs/dbraw/zinc/13/11/36/945131136.db2.gz RHIPFEFWWYABGD-OAQYLSRUSA-N 2 1 350.462 3.814 20 0 FHADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(C)C)c1 ZINC000133610895 936003808 /nfs/dbraw/zinc/00/38/08/936003808.db2.gz FKMJPHCPAOCXSE-QFIPXVFZSA-N 2 1 359.558 3.685 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3Cl)cc2)C1 ZINC000657594281 936073371 /nfs/dbraw/zinc/07/33/71/936073371.db2.gz IAJHFANTLIDINV-MRXNPFEDSA-N 2 1 365.304 3.850 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3Cl)cc2)C1 ZINC000657594281 936073374 /nfs/dbraw/zinc/07/33/74/936073374.db2.gz IAJHFANTLIDINV-MRXNPFEDSA-N 2 1 365.304 3.850 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594293 936073652 /nfs/dbraw/zinc/07/36/52/936073652.db2.gz IDTAIWDEPVGNQE-IBGZPJMESA-N 2 1 364.411 3.562 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)cc2)C1 ZINC000657594547 936074249 /nfs/dbraw/zinc/07/42/49/936074249.db2.gz BJPCIJKNEWWHPF-XPWALMASSA-N 2 1 350.506 3.679 20 0 FHADMP COc1cc2cccnc2c(N(c2ccc(C)c(N)[nH+]2)[C@H](C)CCC[NH3+])c1 ZINC001167611318 936080973 /nfs/dbraw/zinc/08/09/73/936080973.db2.gz LOCJVXNJTNRBHR-OAHLLOKOSA-N 2 1 365.481 3.795 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000657599162 936081692 /nfs/dbraw/zinc/08/16/92/936081692.db2.gz PFOZMSHJHZGRSN-NHCUHLMSSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000657687301 936249721 /nfs/dbraw/zinc/24/97/21/936249721.db2.gz HAFXFCHOGFFVRF-MSYGRNIXSA-N 2 1 366.553 3.774 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000657687301 936249725 /nfs/dbraw/zinc/24/97/25/936249725.db2.gz HAFXFCHOGFFVRF-MSYGRNIXSA-N 2 1 366.553 3.774 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705817 938282454 /nfs/dbraw/zinc/28/24/54/938282454.db2.gz XHNTTWWZRHSXHT-LMMKCTJWSA-N 2 1 357.523 3.528 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000650706179 938285284 /nfs/dbraw/zinc/28/52/84/938285284.db2.gz FSRAYBFBFWSVAJ-LMMKCTJWSA-N 2 1 357.523 3.528 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706255 938285482 /nfs/dbraw/zinc/28/54/82/938285482.db2.gz HFWVMPCEOOAJFP-FMKPAKJESA-N 2 1 363.552 3.590 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000650707806 938287491 /nfs/dbraw/zinc/28/74/91/938287491.db2.gz NMIGVNWZECRKQZ-IDHHARJASA-N 2 1 359.901 3.607 20 0 FHADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707853 938287704 /nfs/dbraw/zinc/28/77/04/938287704.db2.gz OEHWSBWNNURDAN-RVSPLBMKSA-N 2 1 373.324 3.720 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000650711978 938296431 /nfs/dbraw/zinc/29/64/31/938296431.db2.gz LHINLLMVKAKQQM-ZFWWWQNUSA-N 2 1 360.420 3.586 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000414962332 945163266 /nfs/dbraw/zinc/16/32/66/945163266.db2.gz ZPMGTTZZJFXBQS-BXKDBHETSA-N 2 1 351.210 3.698 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717966 938305007 /nfs/dbraw/zinc/30/50/07/938305007.db2.gz SKDFKOLAVPCKSQ-UHFFFAOYSA-N 2 1 374.410 3.655 20 0 FHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723771 938310950 /nfs/dbraw/zinc/31/09/50/938310950.db2.gz TVVQBHLDSZPKGD-KURKYZTESA-N 2 1 356.432 3.875 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723964 938311104 /nfs/dbraw/zinc/31/11/04/938311104.db2.gz WFFXXRHAJFEJIP-OIISXLGYSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723964 938311105 /nfs/dbraw/zinc/31/11/05/938311105.db2.gz WFFXXRHAJFEJIP-OIISXLGYSA-N 2 1 360.395 3.705 20 0 FHADMP CC(C)n1ccnc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774365 938317098 /nfs/dbraw/zinc/31/70/98/938317098.db2.gz YMJQYRGMAJJHMV-FQEVSTJZSA-N 2 1 352.526 3.856 20 0 FHADMP Cc1nn(-c2ccncc2)cc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000583627334 938328652 /nfs/dbraw/zinc/32/86/52/938328652.db2.gz OMFPNNURJOUHSI-WOJBJXKFSA-N 2 1 368.868 3.537 20 0 FHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000583656226 938341396 /nfs/dbraw/zinc/34/13/96/938341396.db2.gz LZJTYYLEWDLRAE-XLCPLWEUSA-N 2 1 370.459 3.791 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1)CC(C)C ZINC000469531804 945167183 /nfs/dbraw/zinc/16/71/83/945167183.db2.gz WEJRYLQZYWIOGC-UHFFFAOYSA-N 2 1 373.545 3.655 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCCC2 ZINC000647302502 938352930 /nfs/dbraw/zinc/35/29/30/938352930.db2.gz CEZGQULNYPHIKH-KRWDZBQOSA-N 2 1 368.525 3.543 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000583740471 938386420 /nfs/dbraw/zinc/38/64/20/938386420.db2.gz MYFDQQFNVPXZNY-NRFANRHFSA-N 2 1 369.513 3.566 20 0 FHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803312 938422740 /nfs/dbraw/zinc/42/27/40/938422740.db2.gz GCGYRQZAVXOTRP-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803312 938422741 /nfs/dbraw/zinc/42/27/41/938422741.db2.gz GCGYRQZAVXOTRP-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803312 938422744 /nfs/dbraw/zinc/42/27/44/938422744.db2.gz GCGYRQZAVXOTRP-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000583803312 938422746 /nfs/dbraw/zinc/42/27/46/938422746.db2.gz GCGYRQZAVXOTRP-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP CCc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000132384877 938520301 /nfs/dbraw/zinc/52/03/01/938520301.db2.gz NTVHVJWZKFSFGO-UHFFFAOYSA-N 2 1 372.509 3.621 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657815245 938534040 /nfs/dbraw/zinc/53/40/40/938534040.db2.gz NOHQBCKICKJCLR-XXBNENTESA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657815245 938534041 /nfs/dbraw/zinc/53/40/41/938534041.db2.gz NOHQBCKICKJCLR-XXBNENTESA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000584012311 938543120 /nfs/dbraw/zinc/54/31/20/938543120.db2.gz LIEIWUXUUOFBGQ-SFGWALBWSA-N 2 1 372.940 3.916 20 0 FHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000584026508 938556665 /nfs/dbraw/zinc/55/66/65/938556665.db2.gz OILIZBWBEVYJKJ-RTBURBONSA-N 2 1 374.573 3.632 20 0 FHADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1OC ZINC000151581683 938587775 /nfs/dbraw/zinc/58/77/75/938587775.db2.gz IOWVVRIRSQLIOM-UHFFFAOYSA-N 2 1 372.484 3.640 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C)Cc3ccccc3)CC2)oc1C ZINC000133818277 938599349 /nfs/dbraw/zinc/59/93/49/938599349.db2.gz BQWXDNRHXQLHRI-KRWDZBQOSA-N 2 1 355.526 3.972 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000569640772 938612361 /nfs/dbraw/zinc/61/23/61/938612361.db2.gz KEAKJFPBLQMQMW-NQIIRXRSSA-N 2 1 362.521 3.987 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000569640772 938612363 /nfs/dbraw/zinc/61/23/63/938612363.db2.gz KEAKJFPBLQMQMW-NQIIRXRSSA-N 2 1 362.521 3.987 20 0 FHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000584220432 938644346 /nfs/dbraw/zinc/64/43/46/938644346.db2.gz PRIOPOSPKHZBCE-RBUKOAKNSA-N 2 1 370.884 3.510 20 0 FHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000584220432 938644347 /nfs/dbraw/zinc/64/43/47/938644347.db2.gz PRIOPOSPKHZBCE-RBUKOAKNSA-N 2 1 370.884 3.510 20 0 FHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836879 938660035 /nfs/dbraw/zinc/66/00/35/938660035.db2.gz XATMJGQNOQGKPV-SJLPKXTDSA-N 2 1 353.501 3.635 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657847277 938715458 /nfs/dbraw/zinc/71/54/58/938715458.db2.gz TXVGHMVVNWPUDN-AZUAARDMSA-N 2 1 350.934 3.803 20 0 FHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095148 938720159 /nfs/dbraw/zinc/72/01/59/938720159.db2.gz UGUSMRKDZOLTJS-PBHICJAKSA-N 2 1 352.906 3.663 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095148 938720161 /nfs/dbraw/zinc/72/01/61/938720161.db2.gz UGUSMRKDZOLTJS-PBHICJAKSA-N 2 1 352.906 3.663 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095148 938720164 /nfs/dbraw/zinc/72/01/64/938720164.db2.gz UGUSMRKDZOLTJS-PBHICJAKSA-N 2 1 352.906 3.663 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000081095148 938720167 /nfs/dbraw/zinc/72/01/67/938720167.db2.gz UGUSMRKDZOLTJS-PBHICJAKSA-N 2 1 352.906 3.663 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712767308 945198840 /nfs/dbraw/zinc/19/88/40/945198840.db2.gz DARJGBARYOLGQD-UXHICEINSA-N 2 1 358.526 3.562 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712767308 945198847 /nfs/dbraw/zinc/19/88/47/945198847.db2.gz DARJGBARYOLGQD-UXHICEINSA-N 2 1 358.526 3.562 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)CC1 ZINC000584378474 938785477 /nfs/dbraw/zinc/78/54/77/938785477.db2.gz LGZGPZVQALJVHA-HNNXBMFYSA-N 2 1 360.452 3.519 20 0 FHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853081 938805835 /nfs/dbraw/zinc/80/58/35/938805835.db2.gz ZBQYHJULBCUDSH-DLBZAZTESA-N 2 1 365.477 3.899 20 0 FHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853081 938805839 /nfs/dbraw/zinc/80/58/39/938805839.db2.gz ZBQYHJULBCUDSH-DLBZAZTESA-N 2 1 365.477 3.899 20 0 FHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414966091 945208428 /nfs/dbraw/zinc/20/84/28/945208428.db2.gz FZNXBTFIJZLTHN-IBGZPJMESA-N 2 1 354.542 3.707 20 0 FHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000061624018 938863912 /nfs/dbraw/zinc/86/39/12/938863912.db2.gz YZGHBEHVKWWKQY-UHFFFAOYSA-N 2 1 374.488 3.707 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586507 938880492 /nfs/dbraw/zinc/88/04/92/938880492.db2.gz PTZKCCDICXUPPM-QFIPXVFZSA-N 2 1 357.586 3.651 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586507 938880494 /nfs/dbraw/zinc/88/04/94/938880494.db2.gz PTZKCCDICXUPPM-QFIPXVFZSA-N 3 1 357.586 3.651 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586507 938880496 /nfs/dbraw/zinc/88/04/96/938880496.db2.gz PTZKCCDICXUPPM-QFIPXVFZSA-N 3 1 357.586 3.651 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000090586507 938880499 /nfs/dbraw/zinc/88/04/99/938880499.db2.gz PTZKCCDICXUPPM-QFIPXVFZSA-N 2 1 357.586 3.651 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000090586507 938880500 /nfs/dbraw/zinc/88/05/00/938880500.db2.gz PTZKCCDICXUPPM-QFIPXVFZSA-N 2 1 357.586 3.651 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746414 938921217 /nfs/dbraw/zinc/92/12/17/938921217.db2.gz BWMBJPNHQSHCBQ-HOTGVXAUSA-N 2 1 374.479 3.914 20 0 FHADMP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000144309039 938951227 /nfs/dbraw/zinc/95/12/27/938951227.db2.gz MIAQBVXJZLFECK-QFIPXVFZSA-N 2 1 365.521 3.592 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000431554442 938964943 /nfs/dbraw/zinc/96/49/43/938964943.db2.gz AFFBAMHCKBHNNP-NRFANRHFSA-N 2 1 359.558 3.554 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C(F)F)nc3)CC2)nc(C)[nH+]1 ZINC000657901760 938993259 /nfs/dbraw/zinc/99/32/59/938993259.db2.gz VMGPMPCZYMPVAW-ZDUSSCGKSA-N 2 1 361.440 3.746 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571175 939001971 /nfs/dbraw/zinc/00/19/71/939001971.db2.gz HRUOCQVJDARLKR-QZTJIDSGSA-N 2 1 358.448 3.837 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571175 939001972 /nfs/dbraw/zinc/00/19/72/939001972.db2.gz HRUOCQVJDARLKR-QZTJIDSGSA-N 2 1 358.448 3.837 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2ccncc2s1 ZINC000657969266 939013474 /nfs/dbraw/zinc/01/34/74/939013474.db2.gz LLYCMQHACQPPRH-DNVCBOLYSA-N 2 1 367.518 3.714 20 0 FHADMP CC[N@H+](Cc1cnn(C(C)(C)C)c1)CC1CCN(c2ccccn2)CC1 ZINC000093564745 939015715 /nfs/dbraw/zinc/01/57/15/939015715.db2.gz VZOXBMXSNVOOJK-UHFFFAOYSA-N 2 1 355.530 3.772 20 0 FHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140197 939034833 /nfs/dbraw/zinc/03/48/33/939034833.db2.gz UHBZCJHLRFMARM-FCHUYYIVSA-N 2 1 350.506 3.647 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143177 939036217 /nfs/dbraw/zinc/03/62/17/939036217.db2.gz XHKHKROPPPOUCY-RBBKRZOGSA-N 2 1 354.494 3.503 20 0 FHADMP Cc1ccc(C2CC([NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)C2)cc1 ZINC000658136293 939040043 /nfs/dbraw/zinc/04/00/43/939040043.db2.gz GMXIPQAXKYZKKK-VNXZQDSDSA-N 2 1 350.506 3.597 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137607 939040750 /nfs/dbraw/zinc/04/07/50/939040750.db2.gz KMWQNPLHTMWVSD-VWNXMTODSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137607 939040752 /nfs/dbraw/zinc/04/07/52/939040752.db2.gz KMWQNPLHTMWVSD-VWNXMTODSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137607 939040754 /nfs/dbraw/zinc/04/07/54/939040754.db2.gz KMWQNPLHTMWVSD-VWNXMTODSA-N 2 1 373.500 3.527 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2ccncc2s1 ZINC000658139046 939041045 /nfs/dbraw/zinc/04/10/45/939041045.db2.gz QCSCWGYZDPAVBP-KXBFYZLASA-N 2 1 367.518 3.714 20 0 FHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137382 939041166 /nfs/dbraw/zinc/04/11/66/939041166.db2.gz GNMCBWBTJLJDSS-HNAYVOBHSA-N 2 1 373.566 3.992 20 0 FHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138731 939041943 /nfs/dbraw/zinc/04/19/43/939041943.db2.gz KCCJOPRDKXAOFC-VGSWGCGISA-N 2 1 356.485 3.503 20 0 FHADMP Cc1cc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139634 939043078 /nfs/dbraw/zinc/04/30/78/939043078.db2.gz QPYAVTYRELLACB-JTHBVZDNSA-N 2 1 368.496 3.942 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140707 939043468 /nfs/dbraw/zinc/04/34/68/939043468.db2.gz QUNFCNGLBRSEDE-HOYKHHGWSA-N 2 1 364.533 3.983 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140789 939043556 /nfs/dbraw/zinc/04/35/56/939043556.db2.gz RCDAQSVDZNVAGB-GUYCJALGSA-N 2 1 364.411 3.521 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140711 939043943 /nfs/dbraw/zinc/04/39/43/939043943.db2.gz QUNFCNGLBRSEDE-MHECFPHRSA-N 2 1 364.533 3.983 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000658254312 939090279 /nfs/dbraw/zinc/09/02/79/939090279.db2.gz PGHWRZYYZFJILT-IYWMVGAKSA-N 2 1 366.590 3.839 20 0 FHADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316894 939109804 /nfs/dbraw/zinc/10/98/04/939109804.db2.gz HZJNPHGFUYDNCP-FCHUYYIVSA-N 2 1 366.553 3.800 20 0 FHADMP CCC[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320153 939110278 /nfs/dbraw/zinc/11/02/78/939110278.db2.gz OJFMTJKFQORLIX-NRFANRHFSA-N 2 1 355.570 3.753 20 0 FHADMP CCC[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320153 939110280 /nfs/dbraw/zinc/11/02/80/939110280.db2.gz OJFMTJKFQORLIX-NRFANRHFSA-N 3 1 355.570 3.753 20 0 FHADMP CCC[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320153 939110282 /nfs/dbraw/zinc/11/02/82/939110282.db2.gz OJFMTJKFQORLIX-NRFANRHFSA-N 3 1 355.570 3.753 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319446 939111445 /nfs/dbraw/zinc/11/14/45/939111445.db2.gz AWBXWBOIGIYVEY-TZIWHRDSSA-N 2 1 364.537 3.689 20 0 FHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1 ZINC000658347924 939121556 /nfs/dbraw/zinc/12/15/56/939121556.db2.gz LSUCXHGGVACJIH-NRFANRHFSA-N 2 1 360.542 3.735 20 0 FHADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367532 939140831 /nfs/dbraw/zinc/14/08/31/939140831.db2.gz ICADYVIOJLCNGN-PMACEKPBSA-N 2 1 354.494 3.573 20 0 FHADMP COc1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc(OC)c1O ZINC000516814853 945265196 /nfs/dbraw/zinc/26/51/96/945265196.db2.gz IVADGDOMQBBZQO-UHFFFAOYSA-N 2 1 350.503 3.544 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507487536 945274457 /nfs/dbraw/zinc/27/44/57/945274457.db2.gz RIRRBEAABZPHKY-XUVXKRRUSA-N 2 1 358.526 3.609 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507508235 945287691 /nfs/dbraw/zinc/28/76/91/945287691.db2.gz JHQSITUYCKCNHE-ILWGZMRPSA-N 2 1 360.505 3.606 20 0 FHADMP Cc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc(OC(F)(F)F)c1 ZINC001143463618 939994273 /nfs/dbraw/zinc/99/42/73/939994273.db2.gz JJOGUPSAWVWMPA-UHFFFAOYSA-N 2 1 371.403 3.524 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525205 945302174 /nfs/dbraw/zinc/30/21/74/945302174.db2.gz KAHWDBQJICOJPG-WWPVKYPJSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525205 945302181 /nfs/dbraw/zinc/30/21/81/945302181.db2.gz KAHWDBQJICOJPG-WWPVKYPJSA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525205 945302188 /nfs/dbraw/zinc/30/21/88/945302188.db2.gz KAHWDBQJICOJPG-WWPVKYPJSA-N 3 1 353.554 3.504 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1cc3ccccc3o1)CC[NH2+]CC2 ZINC000643973765 940274396 /nfs/dbraw/zinc/27/43/96/940274396.db2.gz HORXZQVSOKSCOD-INIZCTEOSA-N 2 1 364.493 3.797 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000376082351 940285794 /nfs/dbraw/zinc/28/57/94/940285794.db2.gz OABHCYBCDHGCNP-AVRDEDQJSA-N 2 1 369.553 3.545 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000376082352 940285861 /nfs/dbraw/zinc/28/58/61/940285861.db2.gz OABHCYBCDHGCNP-GCJKJVERSA-N 2 1 369.553 3.545 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647496569 940343048 /nfs/dbraw/zinc/34/30/48/940343048.db2.gz XUGUQAKDJARESD-ROUUACIJSA-N 2 1 364.493 4.000 20 0 FHADMP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1O ZINC000299218927 945315000 /nfs/dbraw/zinc/31/50/00/945315000.db2.gz IXVXHTLWGUVRMQ-UHFFFAOYSA-N 2 1 355.413 3.714 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431729521 940427458 /nfs/dbraw/zinc/42/74/58/940427458.db2.gz RBXDEWZBMYEBMU-DENIHFKCSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431729521 940427461 /nfs/dbraw/zinc/42/74/61/940427461.db2.gz RBXDEWZBMYEBMU-DENIHFKCSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431729521 940427462 /nfs/dbraw/zinc/42/74/62/940427462.db2.gz RBXDEWZBMYEBMU-DENIHFKCSA-N 2 1 371.569 3.942 20 0 FHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000531141753 940434009 /nfs/dbraw/zinc/43/40/09/940434009.db2.gz AGCNQSSZSADZPB-OAHLLOKOSA-N 2 1 374.481 3.582 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000685849507 940461336 /nfs/dbraw/zinc/46/13/36/940461336.db2.gz LIFNFEIQLMQXQC-LEWJYISDSA-N 2 1 358.526 3.551 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000414055139 940463520 /nfs/dbraw/zinc/46/35/20/940463520.db2.gz CFFCTZOZQZUJQU-SFHVURJKSA-N 2 1 354.494 3.687 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414069812 940476073 /nfs/dbraw/zinc/47/60/73/940476073.db2.gz JOGKFCKQNPCPGQ-SJLPKXTDSA-N 2 1 359.539 3.585 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000414069812 940476074 /nfs/dbraw/zinc/47/60/74/940476074.db2.gz JOGKFCKQNPCPGQ-SJLPKXTDSA-N 2 1 359.539 3.585 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414069816 940476197 /nfs/dbraw/zinc/47/61/97/940476197.db2.gz JOGKFCKQNPCPGQ-WMZOPIPTSA-N 2 1 359.539 3.585 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000414069816 940476198 /nfs/dbraw/zinc/47/61/98/940476198.db2.gz JOGKFCKQNPCPGQ-WMZOPIPTSA-N 2 1 359.539 3.585 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652137221 945325874 /nfs/dbraw/zinc/32/58/74/945325874.db2.gz CWUJSYAAJXOPEN-SFHVURJKSA-N 2 1 364.530 3.874 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414108449 940510665 /nfs/dbraw/zinc/51/06/65/940510665.db2.gz LSEKQLSUEGDSEO-WAOWUJCRSA-N 2 1 353.510 3.521 20 0 FHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCCC1 ZINC000613346294 940616497 /nfs/dbraw/zinc/61/64/97/940616497.db2.gz GNMWLMIPKFBRPC-UHFFFAOYSA-N 2 1 357.542 3.553 20 0 FHADMP Cc1nnc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000892541123 940653320 /nfs/dbraw/zinc/65/33/20/940653320.db2.gz ZKXVRZDXWVYING-UHFFFAOYSA-N 2 1 352.507 3.865 20 0 FHADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173867061 940680455 /nfs/dbraw/zinc/68/04/55/940680455.db2.gz HYXXZZHJQABOCB-INIZCTEOSA-N 2 1 374.916 3.740 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173867061 940680458 /nfs/dbraw/zinc/68/04/58/940680458.db2.gz HYXXZZHJQABOCB-INIZCTEOSA-N 2 1 374.916 3.740 20 0 FHADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@@H]1CCCC[NH+]1C ZINC000173952446 940689758 /nfs/dbraw/zinc/68/97/58/940689758.db2.gz JFIUDTFTJJWKGG-HNNXBMFYSA-N 2 1 355.885 3.614 20 0 FHADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000173952446 940689763 /nfs/dbraw/zinc/68/97/63/940689763.db2.gz JFIUDTFTJJWKGG-HNNXBMFYSA-N 2 1 355.885 3.614 20 0 FHADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@@H]1CCCC[N@H+]1C ZINC000173952446 940689769 /nfs/dbraw/zinc/68/97/69/940689769.db2.gz JFIUDTFTJJWKGG-HNNXBMFYSA-N 2 1 355.885 3.614 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174295602 940718488 /nfs/dbraw/zinc/71/84/88/940718488.db2.gz REDDBTNEJZAIEF-QZTJIDSGSA-N 2 1 367.537 3.868 20 0 FHADMP CC(C)C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000170643289 940762850 /nfs/dbraw/zinc/76/28/50/940762850.db2.gz ISYLTNKPEZACHA-UHFFFAOYSA-N 2 1 363.571 3.540 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccccc4s3)CC2)C[C@@H](C)O1 ZINC000170689684 940777270 /nfs/dbraw/zinc/77/72/70/940777270.db2.gz ZHZKUGSPUSUBQI-HZPDHXFCSA-N 2 1 359.539 3.618 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000376387824 940895280 /nfs/dbraw/zinc/89/52/80/940895280.db2.gz RKJIUVMPQJBVJZ-UHFFFAOYSA-N 2 1 363.933 3.703 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000376387824 940895282 /nfs/dbraw/zinc/89/52/82/940895282.db2.gz RKJIUVMPQJBVJZ-UHFFFAOYSA-N 2 1 363.933 3.703 20 0 FHADMP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000414351370 941024347 /nfs/dbraw/zinc/02/43/47/941024347.db2.gz RNTLMKVNUGAYOX-OAQYLSRUSA-N 2 1 353.485 3.659 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134383518 941062196 /nfs/dbraw/zinc/06/21/96/941062196.db2.gz BEEUSLMPBINMCA-QGZVFWFLSA-N 2 1 356.341 3.598 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543402 941065296 /nfs/dbraw/zinc/06/52/96/941065296.db2.gz MQJBYLAJUQZEDL-HOTGVXAUSA-N 2 1 352.906 3.569 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543563 941065400 /nfs/dbraw/zinc/06/54/00/941065400.db2.gz PMURTJNPVILZIR-IRXDYDNUSA-N 2 1 368.468 3.898 20 0 FHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647545683 941068997 /nfs/dbraw/zinc/06/89/97/941068997.db2.gz DBNRHTIUYIFAEY-ROUUACIJSA-N 2 1 364.493 3.655 20 0 FHADMP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889798 941069664 /nfs/dbraw/zinc/06/96/64/941069664.db2.gz HXNKJSTWPANCQQ-QGZVFWFLSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000659378582 941242513 /nfs/dbraw/zinc/24/25/13/941242513.db2.gz FNDFNKCDLRZYOX-GCJKJVERSA-N 2 1 365.521 3.518 20 0 FHADMP C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781890 941323619 /nfs/dbraw/zinc/32/36/19/941323619.db2.gz HYVGBOZNIOPYES-AVCGJXAMSA-N 2 1 350.506 3.801 20 0 FHADMP C[C@@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311568143 941332348 /nfs/dbraw/zinc/33/23/48/941332348.db2.gz ZLNHYWAXNXHAMV-IBGZPJMESA-N 2 1 369.475 3.515 20 0 FHADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000376861194 941453616 /nfs/dbraw/zinc/45/36/16/941453616.db2.gz RNQRZVJWNAPHQV-VDHUWJSZSA-N 2 1 356.432 3.597 20 0 FHADMP OC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076719 941512894 /nfs/dbraw/zinc/51/28/94/941512894.db2.gz HRPYJKHMLLADMF-ROLQDKDTSA-N 2 1 362.517 3.993 20 0 FHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000151973121 941558231 /nfs/dbraw/zinc/55/82/31/941558231.db2.gz CAJUTKWTTGGJLE-QGUMVPPKSA-N 2 1 355.526 3.529 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000151973121 941558234 /nfs/dbraw/zinc/55/82/34/941558234.db2.gz CAJUTKWTTGGJLE-QGUMVPPKSA-N 2 1 355.526 3.529 20 0 FHADMP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040010 941560147 /nfs/dbraw/zinc/56/01/47/941560147.db2.gz JMVMGIDKHJTNER-ZBFHGGJFSA-N 2 1 360.395 3.731 20 0 FHADMP Fc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040010 941560149 /nfs/dbraw/zinc/56/01/49/941560149.db2.gz JMVMGIDKHJTNER-ZBFHGGJFSA-N 2 1 360.395 3.731 20 0 FHADMP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052880 941568061 /nfs/dbraw/zinc/56/80/61/941568061.db2.gz LWFHTVXRBVCIRP-SBOSXTITSA-N 2 1 355.570 3.594 20 0 FHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1O ZINC000111391803 941573181 /nfs/dbraw/zinc/57/31/81/941573181.db2.gz TURCIHVRXCNRHS-IHWFROFDSA-N 2 1 352.478 3.686 20 0 FHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1O ZINC000111391803 941573184 /nfs/dbraw/zinc/57/31/84/941573184.db2.gz TURCIHVRXCNRHS-IHWFROFDSA-N 2 1 352.478 3.686 20 0 FHADMP Fc1cccc(-c2ccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)s2)c1 ZINC000415060090 941575202 /nfs/dbraw/zinc/57/52/02/941575202.db2.gz WDVZWKDHAUGBKJ-UHFFFAOYSA-N 2 1 373.541 3.860 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690438 941581573 /nfs/dbraw/zinc/58/15/73/941581573.db2.gz KGSXQRBWUXJARK-PKOBYXMFSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690438 941581576 /nfs/dbraw/zinc/58/15/76/941581576.db2.gz KGSXQRBWUXJARK-PKOBYXMFSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690438 941581580 /nfs/dbraw/zinc/58/15/80/941581580.db2.gz KGSXQRBWUXJARK-PKOBYXMFSA-N 2 1 372.488 3.930 20 0 FHADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415073985 941589287 /nfs/dbraw/zinc/58/92/87/941589287.db2.gz BPSOBAQWDPJYFV-MFKMUULPSA-N 2 1 363.246 3.671 20 0 FHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000415088949 941598079 /nfs/dbraw/zinc/59/80/79/941598079.db2.gz YGVMYIGRWHEHCG-FXAWDEMLSA-N 2 1 366.509 3.734 20 0 FHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000415120892 941617297 /nfs/dbraw/zinc/61/72/97/941617297.db2.gz GMWXBNSNOWSCOL-WBVHZDCISA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000415120890 941617321 /nfs/dbraw/zinc/61/73/21/941617321.db2.gz GMWXBNSNOWSCOL-NVXWUHKLSA-N 2 1 374.859 3.660 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)[C@@H]1c1cccnc1 ZINC000377295729 941621734 /nfs/dbraw/zinc/62/17/34/941621734.db2.gz BBAJILLSIJRKFG-PXNSSMCTSA-N 2 1 361.436 3.508 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)[C@@H]1c1cccnc1 ZINC000377295729 941621742 /nfs/dbraw/zinc/62/17/42/941621742.db2.gz BBAJILLSIJRKFG-PXNSSMCTSA-N 2 1 361.436 3.508 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134855 941621932 /nfs/dbraw/zinc/62/19/32/941621932.db2.gz WHBPJZWFZRAFEH-APWZRJJASA-N 2 1 372.484 3.830 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415128636 941623144 /nfs/dbraw/zinc/62/31/44/941623144.db2.gz SQEFUCSSVQVTFK-RHSMWYFYSA-N 2 1 373.324 3.720 20 0 FHADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130417 941623427 /nfs/dbraw/zinc/62/34/27/941623427.db2.gz RAPGVMNTTZTUGC-FXAWDEMLSA-N 2 1 354.494 3.691 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415130105 941623504 /nfs/dbraw/zinc/62/35/04/941623504.db2.gz QJLBRWLQYCXHPP-WMZOPIPTSA-N 2 1 373.324 3.720 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CCCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000460386264 941659243 /nfs/dbraw/zinc/65/92/43/941659243.db2.gz KACQMNPOPHGIQE-FCEUIQTBSA-N 2 1 360.542 3.905 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CCCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000460386264 941659244 /nfs/dbraw/zinc/65/92/44/941659244.db2.gz KACQMNPOPHGIQE-FCEUIQTBSA-N 2 1 360.542 3.905 20 0 FHADMP C[C@@H]1C[C@H]([N@H+](C)CCCO[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000460386264 941659245 /nfs/dbraw/zinc/65/92/45/941659245.db2.gz KACQMNPOPHGIQE-FCEUIQTBSA-N 2 1 360.542 3.905 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO[C@H]2CCCCO2)CC[NH+]1Cc1ccccc1 ZINC000460386264 941659246 /nfs/dbraw/zinc/65/92/46/941659246.db2.gz KACQMNPOPHGIQE-FCEUIQTBSA-N 2 1 360.542 3.905 20 0 FHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958684 941716551 /nfs/dbraw/zinc/71/65/51/941716551.db2.gz IZECRZQJFFOQPA-JOCHJYFZSA-N 3 1 355.570 3.895 20 0 FHADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958684 941716552 /nfs/dbraw/zinc/71/65/52/941716552.db2.gz IZECRZQJFFOQPA-JOCHJYFZSA-N 3 1 355.570 3.895 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000513207973 941781477 /nfs/dbraw/zinc/78/14/77/941781477.db2.gz JZRRSEHDVRZIEA-PSWRPDDJSA-N 2 1 371.569 3.713 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000513207973 941781480 /nfs/dbraw/zinc/78/14/80/941781480.db2.gz JZRRSEHDVRZIEA-PSWRPDDJSA-N 2 1 371.569 3.713 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)CC1 ZINC000093132648 941803306 /nfs/dbraw/zinc/80/33/06/941803306.db2.gz RESHXWCSTDJCHQ-LJQANCHMSA-N 2 1 373.541 3.766 20 0 FHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000892977458 941831313 /nfs/dbraw/zinc/83/13/13/941831313.db2.gz NZDIWYQFWWKZJQ-KOVLHOQQSA-N 2 1 364.493 3.610 20 0 FHADMP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000644569841 941840955 /nfs/dbraw/zinc/84/09/55/941840955.db2.gz FMKNWDBZAHXAIA-SIKLNZKXSA-N 2 1 368.521 3.550 20 0 FHADMP CCCC[NH+]1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000236766815 941853345 /nfs/dbraw/zinc/85/33/45/941853345.db2.gz NLYNZPBJXFHTMQ-UHFFFAOYSA-N 2 1 369.303 3.532 20 0 FHADMP C[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377628022 941854582 /nfs/dbraw/zinc/85/45/82/941854582.db2.gz QBBRQGXGVKENQW-IRXDYDNUSA-N 2 1 369.475 3.726 20 0 FHADMP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513408490 941902796 /nfs/dbraw/zinc/90/27/96/941902796.db2.gz NKOZPFBNPQQEQY-CVEARBPZSA-N 2 1 361.496 3.646 20 0 FHADMP CN1CCN([C@@H]2CCCC[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692879 941906344 /nfs/dbraw/zinc/90/63/44/941906344.db2.gz GZZPHORAADSWHG-ZLNRFVROSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692879 941906348 /nfs/dbraw/zinc/90/63/48/941906348.db2.gz GZZPHORAADSWHG-ZLNRFVROSA-N 2 1 355.570 3.599 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692879 941906351 /nfs/dbraw/zinc/90/63/51/941906351.db2.gz GZZPHORAADSWHG-ZLNRFVROSA-N 2 1 355.570 3.599 20 0 FHADMP COCCOCc1ccc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1 ZINC000377701586 941912455 /nfs/dbraw/zinc/91/24/55/941912455.db2.gz UCHBTLLKSCPEHD-OAQYLSRUSA-N 2 1 372.553 3.546 20 0 FHADMP C/C(=C/c1ccccc1)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000513449890 941937131 /nfs/dbraw/zinc/93/71/31/941937131.db2.gz BOKDQPGNGDILST-QOCHGBHMSA-N 2 1 363.549 3.840 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513469152 941945843 /nfs/dbraw/zinc/94/58/43/941945843.db2.gz NHEJLLSSWJAISG-XXBNENTESA-N 3 1 351.538 3.891 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000513469152 941945845 /nfs/dbraw/zinc/94/58/45/941945845.db2.gz NHEJLLSSWJAISG-XXBNENTESA-N 3 1 351.538 3.891 20 0 FHADMP CCCCc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000513472269 941951486 /nfs/dbraw/zinc/95/14/86/941951486.db2.gz BGMFXFIBIDHYFL-LJQANCHMSA-N 2 1 369.553 3.987 20 0 FHADMP CCOc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510284 941971982 /nfs/dbraw/zinc/97/19/82/941971982.db2.gz AWVLQYFUFFCFAP-UYAOXDASSA-N 2 1 353.510 3.871 20 0 FHADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000513655724 942058412 /nfs/dbraw/zinc/05/84/12/942058412.db2.gz NYLFQFGOXHCEIC-PWRODBHTSA-N 2 1 368.525 3.591 20 0 FHADMP CNC(=O)c1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000513684661 942075315 /nfs/dbraw/zinc/07/53/15/942075315.db2.gz UBIDVCNDOORZEQ-UHFFFAOYSA-N 2 1 365.521 3.579 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000415901940 942120756 /nfs/dbraw/zinc/12/07/56/942120756.db2.gz NVZZNBPSJRONJH-MRXNPFEDSA-N 2 1 372.538 3.501 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000415904168 942130811 /nfs/dbraw/zinc/13/08/11/942130811.db2.gz GIPJXQYYWOXCJV-NRFANRHFSA-N 2 1 366.509 3.582 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000415915820 942140345 /nfs/dbraw/zinc/14/03/45/942140345.db2.gz AEPKLRYEDRAUKO-UHFFFAOYSA-N 2 1 368.525 3.958 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000415924714 942154065 /nfs/dbraw/zinc/15/40/65/942154065.db2.gz SAVRWQHFKYXXIG-MOPGFXCFSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000415924714 942154068 /nfs/dbraw/zinc/15/40/68/942154068.db2.gz SAVRWQHFKYXXIG-MOPGFXCFSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000415939055 942170278 /nfs/dbraw/zinc/17/02/78/942170278.db2.gz ZTPIPCMMQJDJOQ-OAQYLSRUSA-N 2 1 368.525 3.684 20 0 FHADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000415952757 942193332 /nfs/dbraw/zinc/19/33/32/942193332.db2.gz GFXQNDWDHBPLHW-UHFFFAOYSA-N 2 1 372.900 3.539 20 0 FHADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000415952757 942193338 /nfs/dbraw/zinc/19/33/38/942193338.db2.gz GFXQNDWDHBPLHW-UHFFFAOYSA-N 2 1 372.900 3.539 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000415967289 942206337 /nfs/dbraw/zinc/20/63/37/942206337.db2.gz BCSZYVQXKRTMQJ-KRWDZBQOSA-N 2 1 372.538 3.501 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415972739 942210416 /nfs/dbraw/zinc/21/04/16/942210416.db2.gz ISTXBBRIOSYUHH-KRWDZBQOSA-N 2 1 358.530 3.654 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000415968484 942214477 /nfs/dbraw/zinc/21/44/77/942214477.db2.gz DFELFBHAFWAZHU-FQEVSTJZSA-N 2 1 358.530 3.572 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2ccncn2)CC1 ZINC000414472876 942217363 /nfs/dbraw/zinc/21/73/63/942217363.db2.gz UHKIMXGTVYNUNS-UHFFFAOYSA-N 2 1 352.526 3.814 20 0 FHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415983077 942222772 /nfs/dbraw/zinc/22/27/72/942222772.db2.gz YXCCBDBKUJYLJJ-UWJYYQICSA-N 2 1 366.509 3.662 20 0 FHADMP CCN(C(=O)Nc1ccc(C[NH2+]C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415984154 942233022 /nfs/dbraw/zinc/23/30/22/942233022.db2.gz OWPTVRJRDHFBPP-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280748583 942239811 /nfs/dbraw/zinc/23/98/11/942239811.db2.gz NCBVXMKUSGWSQY-OAHLLOKOSA-N 2 1 361.795 3.577 20 0 FHADMP C[C@@]1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCc2ccccc21 ZINC000420944022 942268246 /nfs/dbraw/zinc/26/82/46/942268246.db2.gz XHKOIUJTNVWVPB-HSZRJFAPSA-N 2 1 350.506 3.860 20 0 FHADMP C[N@H+](Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036880 942278595 /nfs/dbraw/zinc/27/85/95/942278595.db2.gz ZRGBFVBATPHFBF-UHFFFAOYSA-N 2 1 369.900 3.731 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000420980810 942279937 /nfs/dbraw/zinc/27/99/37/942279937.db2.gz MAHOKPCCMRMZPO-UHFFFAOYSA-N 2 1 363.977 3.765 20 0 FHADMP c1coc([C@@H]2[N@@H+](Cc3ccc(CN4CCOCC4)cc3)CC23CCC3)c1 ZINC000420981579 942280994 /nfs/dbraw/zinc/28/09/94/942280994.db2.gz YPLQGTRWUWSTIF-NRFANRHFSA-N 2 1 352.478 3.839 20 0 FHADMP c1coc([C@H]2[N@@H+](Cc3ccc(CN4CCOCC4)cc3)CC23CCC3)c1 ZINC000420981583 942281025 /nfs/dbraw/zinc/28/10/25/942281025.db2.gz YPLQGTRWUWSTIF-OAQYLSRUSA-N 2 1 352.478 3.839 20 0 FHADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066749 942286680 /nfs/dbraw/zinc/28/66/80/942286680.db2.gz DRFSSUTUOVTEOE-UHFFFAOYSA-N 2 1 361.493 3.616 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974396 942286776 /nfs/dbraw/zinc/28/67/76/942286776.db2.gz DNPBSXJIBDKIHN-OAQYLSRUSA-N 2 1 361.961 3.819 20 0 FHADMP Cc1cc(C)cc(OCCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000501098818 942306156 /nfs/dbraw/zinc/30/61/56/942306156.db2.gz DWMHIZYFSNKVAS-SZPZYZBQSA-N 2 1 373.585 3.563 20 0 FHADMP CC(C)[N@H+]1CCc2nc(CNc3ccc(C[NH+](C)C)cc3F)sc2C1 ZINC000414496950 942330493 /nfs/dbraw/zinc/33/04/93/942330493.db2.gz JJLDPZQQKAGIJA-UHFFFAOYSA-N 2 1 362.518 3.722 20 0 FHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000421080124 942347396 /nfs/dbraw/zinc/34/73/96/942347396.db2.gz DAFNTDOVLPVVBY-OAQYLSRUSA-N 2 1 372.557 3.519 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183676 942370217 /nfs/dbraw/zinc/37/02/17/942370217.db2.gz JKJCOJMRSZMWMZ-YGWPLHOASA-N 2 1 366.933 3.507 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000378199842 942379186 /nfs/dbraw/zinc/37/91/86/942379186.db2.gz JJXCIDBCQPDHOA-IFXJQAMLSA-N 2 1 366.440 3.587 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148228 942398837 /nfs/dbraw/zinc/39/88/37/942398837.db2.gz ZLRQJVYWESGIDG-KOUHRCEDSA-N 2 1 357.542 3.543 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168462 942436252 /nfs/dbraw/zinc/43/62/52/942436252.db2.gz YFYXLVQLYHFLFK-URVUXULASA-N 2 1 371.569 3.792 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000501491935 942500944 /nfs/dbraw/zinc/50/09/44/942500944.db2.gz PPLZFAGPQYJRHQ-IYICPGQYSA-N 2 1 370.459 3.935 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000501475619 942501730 /nfs/dbraw/zinc/50/17/30/942501730.db2.gz JVAADTFUPRKBJB-MUMAZLPKSA-N 2 1 370.459 3.791 20 0 FHADMP COCC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501483003 942505537 /nfs/dbraw/zinc/50/55/37/942505537.db2.gz VGNNMUNSCLRBGB-FYWRMAATSA-N 2 1 356.432 3.809 20 0 FHADMP [NH3+]C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCCC1 ZINC000414832962 942508184 /nfs/dbraw/zinc/50/81/84/942508184.db2.gz FKTRYAMDHNFEML-FQEVSTJZSA-N 2 1 367.940 3.941 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000421376868 942527652 /nfs/dbraw/zinc/52/76/52/942527652.db2.gz QZXNHMAIVXTNDW-UHFFFAOYSA-N 2 1 367.940 3.514 20 0 FHADMP CCSc1cccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421378907 942528857 /nfs/dbraw/zinc/52/88/57/942528857.db2.gz UCKMLSKIGUVRDU-UHFFFAOYSA-N 2 1 361.599 3.791 20 0 FHADMP Clc1cccc(Cl)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818316 942536091 /nfs/dbraw/zinc/53/60/91/942536091.db2.gz ZYPSYRXBHRHEQL-UHFFFAOYSA-N 2 1 357.325 3.928 20 0 FHADMP COc1ccc(OC)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000395804019 942536553 /nfs/dbraw/zinc/53/65/53/942536553.db2.gz CDYSBMJLDIIWJH-CTNGQTDRSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804019 942536558 /nfs/dbraw/zinc/53/65/58/942536558.db2.gz CDYSBMJLDIIWJH-CTNGQTDRSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804019 942536560 /nfs/dbraw/zinc/53/65/60/942536560.db2.gz CDYSBMJLDIIWJH-CTNGQTDRSA-N 2 1 366.505 3.658 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CC34CCSCC4)sc2C1 ZINC000421392089 942543670 /nfs/dbraw/zinc/54/36/70/942543670.db2.gz XCBOSVVJLKJILC-CQSZACIVSA-N 2 1 351.585 3.533 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CC34CCSCC4)sc2C1 ZINC000421392089 942543672 /nfs/dbraw/zinc/54/36/72/942543672.db2.gz XCBOSVVJLKJILC-CQSZACIVSA-N 2 1 351.585 3.533 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)on1 ZINC000420293714 942596516 /nfs/dbraw/zinc/59/65/16/942596516.db2.gz RRKCPYAGLJFDPE-KBXCAEBGSA-N 2 1 351.450 3.673 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)on1 ZINC000420293714 942596524 /nfs/dbraw/zinc/59/65/24/942596524.db2.gz RRKCPYAGLJFDPE-KBXCAEBGSA-N 2 1 351.450 3.673 20 0 FHADMP C[C@H]([NH3+])[C@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420275127 942600055 /nfs/dbraw/zinc/60/00/55/942600055.db2.gz ZBQUALQTVQXXRS-STQMWFEESA-N 2 1 355.511 3.568 20 0 FHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000420300390 942609723 /nfs/dbraw/zinc/60/97/23/942609723.db2.gz KGABTBOLOBBDSH-VJBMBRPKSA-N 2 1 363.505 3.626 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300688 942609990 /nfs/dbraw/zinc/60/99/90/942609990.db2.gz KJBSOHGPMSBLFV-PKOBYXMFSA-N 2 1 356.535 3.852 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302357 942611089 /nfs/dbraw/zinc/61/10/89/942611089.db2.gz JSNZCQMQGUPUPP-UYAOXDASSA-N 2 1 370.493 3.592 20 0 FHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420300082 942611149 /nfs/dbraw/zinc/61/11/49/942611149.db2.gz HBBFRHQSQKXZOW-SBUREZEXSA-N 2 1 366.505 3.651 20 0 FHADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305873 942613051 /nfs/dbraw/zinc/61/30/51/942613051.db2.gz GXPBGIDFRVAVPZ-OXJNMPFZSA-N 2 1 355.457 3.566 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420316348 942618856 /nfs/dbraw/zinc/61/88/56/942618856.db2.gz YBGWQXWPAVLLEO-FKVLARQCSA-N 2 1 363.505 3.734 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420316348 942618860 /nfs/dbraw/zinc/61/88/60/942618860.db2.gz YBGWQXWPAVLLEO-FKVLARQCSA-N 2 1 363.505 3.734 20 0 FHADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420317114 942619046 /nfs/dbraw/zinc/61/90/46/942619046.db2.gz NESPUDWVPAQEFJ-ZDUSSCGKSA-N 2 1 358.313 3.644 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc3[nH]ccc32)[C@@H](c2ccccc2)C1 ZINC000237082467 942620784 /nfs/dbraw/zinc/62/07/84/942620784.db2.gz YQLBIKMIEGVNFG-HSZRJFAPSA-N 2 1 362.521 3.636 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC12CCOCC2 ZINC000420337932 942623005 /nfs/dbraw/zinc/62/30/05/942623005.db2.gz XKRKWHOWJSAZHO-LJQANCHMSA-N 2 1 352.478 3.666 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340180 942623919 /nfs/dbraw/zinc/62/39/19/942623919.db2.gz MTDUBIPXOZSIRM-FHWLQOOXSA-N 2 1 357.542 3.767 20 0 FHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCCC2 ZINC000181851721 942627835 /nfs/dbraw/zinc/62/78/35/942627835.db2.gz RAZRXGJPJVVTRD-VQTJNVASSA-N 2 1 352.563 3.593 20 0 FHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326196 942629400 /nfs/dbraw/zinc/62/94/00/942629400.db2.gz XIDNCCTYZPQDMN-CHWSQXEVSA-N 2 1 360.914 3.885 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332017 942631648 /nfs/dbraw/zinc/63/16/48/942631648.db2.gz RDJFNCIOWMVSRZ-LSDHHAIUSA-N 2 1 358.507 3.509 20 0 FHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420353229 942635001 /nfs/dbraw/zinc/63/50/01/942635001.db2.gz BNOMSODHOSAOLR-LJQANCHMSA-N 2 1 355.482 3.771 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368963 942642959 /nfs/dbraw/zinc/64/29/59/942642959.db2.gz XEIWTMMAXBUQFF-IBGZPJMESA-N 2 1 372.484 3.558 20 0 FHADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420373475 942644403 /nfs/dbraw/zinc/64/44/03/942644403.db2.gz ZGXDKLCZGSFJOP-LJQANCHMSA-N 2 1 355.482 3.771 20 0 FHADMP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420377987 942646152 /nfs/dbraw/zinc/64/61/52/942646152.db2.gz TZDBQZAYTIRSGJ-RKVPGOIHSA-N 2 1 367.331 3.601 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1F ZINC000420379985 942647598 /nfs/dbraw/zinc/64/75/98/942647598.db2.gz BXYSNNKTUUADKT-PKOBYXMFSA-N 2 1 372.488 3.581 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420382779 942647841 /nfs/dbraw/zinc/64/78/41/942647841.db2.gz DECRIBKLIFRTCL-WMLDXEAASA-N 2 1 358.507 3.652 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420382779 942647845 /nfs/dbraw/zinc/64/78/45/942647845.db2.gz DECRIBKLIFRTCL-WMLDXEAASA-N 2 1 358.507 3.652 20 0 FHADMP Cc1ccc([C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c2ccccc2)cc1 ZINC000420375401 942655713 /nfs/dbraw/zinc/65/57/13/942655713.db2.gz PIDNZEHJYJYXIV-HJOGWXRNSA-N 2 1 360.501 3.605 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403721 942661914 /nfs/dbraw/zinc/66/19/14/942661914.db2.gz RMWSMUPKZWQHLH-WIYYLYMNSA-N 2 1 351.494 3.632 20 0 FHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406029 942663532 /nfs/dbraw/zinc/66/35/32/942663532.db2.gz NIBKMQDWNKNVFW-UWVAXJGDSA-N 2 1 351.494 3.917 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409525 942665190 /nfs/dbraw/zinc/66/51/90/942665190.db2.gz XESHWCGJWBTYSZ-DYVFJYSZSA-N 2 1 370.324 3.786 20 0 FHADMP c1ccc(COc2cncc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cc1 ZINC000420411927 942666006 /nfs/dbraw/zinc/66/60/06/942666006.db2.gz YUPCHTMPAMBSJD-UNMCSNQZSA-N 2 1 351.494 3.625 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cc1 ZINC000420411927 942666011 /nfs/dbraw/zinc/66/60/11/942666011.db2.gz YUPCHTMPAMBSJD-UNMCSNQZSA-N 2 1 351.494 3.625 20 0 FHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000501787346 942672755 /nfs/dbraw/zinc/67/27/55/942672755.db2.gz WDYCRHOJFNSJEE-UHFFFAOYSA-N 2 1 371.447 3.698 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081772 942732832 /nfs/dbraw/zinc/73/28/32/942732832.db2.gz CSWSQXOIEHMSGX-XPWALMASSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081772 942732836 /nfs/dbraw/zinc/73/28/36/942732836.db2.gz CSWSQXOIEHMSGX-XPWALMASSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081772 942732843 /nfs/dbraw/zinc/73/28/43/942732843.db2.gz CSWSQXOIEHMSGX-XPWALMASSA-N 2 1 372.553 3.906 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750230 /nfs/dbraw/zinc/75/02/30/942750230.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750231 /nfs/dbraw/zinc/75/02/31/942750231.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750235 /nfs/dbraw/zinc/75/02/35/942750235.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 3 1 355.570 3.609 20 0 FHADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750237 /nfs/dbraw/zinc/75/02/37/942750237.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 2 1 355.570 3.609 20 0 FHADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750242 /nfs/dbraw/zinc/75/02/42/942750242.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750245 /nfs/dbraw/zinc/75/02/45/942750245.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750246 /nfs/dbraw/zinc/75/02/46/942750246.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 2 1 355.570 3.609 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000434598953 942788721 /nfs/dbraw/zinc/78/87/21/942788721.db2.gz QOANSOTYKCAJDN-UHFFFAOYSA-N 2 1 367.484 3.737 20 0 FHADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642336 942822069 /nfs/dbraw/zinc/82/20/69/942822069.db2.gz GWLIOXWJUQGQCR-KNQAVFIVSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642336 942822074 /nfs/dbraw/zinc/82/20/74/942822074.db2.gz GWLIOXWJUQGQCR-KNQAVFIVSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000434642336 942822080 /nfs/dbraw/zinc/82/20/80/942822080.db2.gz GWLIOXWJUQGQCR-KNQAVFIVSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000434642336 942822086 /nfs/dbraw/zinc/82/20/86/942822086.db2.gz GWLIOXWJUQGQCR-KNQAVFIVSA-N 2 1 359.558 3.821 20 0 FHADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421827564 942835498 /nfs/dbraw/zinc/83/54/98/942835498.db2.gz YGUISBNPLNRKQH-HXUWFJFHSA-N 2 1 352.494 3.622 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccncc1Cl ZINC000421840616 942855526 /nfs/dbraw/zinc/85/55/26/942855526.db2.gz ZZZOYMUAEFLGDQ-OAHLLOKOSA-N 2 1 359.901 3.543 20 0 FHADMP CCN(CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)CC(F)(F)F ZINC000434688825 942865785 /nfs/dbraw/zinc/86/57/85/942865785.db2.gz QBOUEUHYDYWCFZ-UHFFFAOYSA-N 2 1 372.479 3.673 20 0 FHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425154073 942880162 /nfs/dbraw/zinc/88/01/62/942880162.db2.gz GSXRAVIKRWSQPY-WOJBJXKFSA-N 2 1 368.525 3.703 20 0 FHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425154071 942880337 /nfs/dbraw/zinc/88/03/37/942880337.db2.gz GSXRAVIKRWSQPY-VQTJNVASSA-N 2 1 368.525 3.703 20 0 FHADMP C[C@H](Cc1ccccc1F)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363862134 942883867 /nfs/dbraw/zinc/88/38/67/942883867.db2.gz GWDUYBBRMYJAOC-GOSISDBHSA-N 3 1 361.549 3.543 20 0 FHADMP Cc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113728 942926984 /nfs/dbraw/zinc/92/69/84/942926984.db2.gz NNWWEKKREYJUMS-QHCPKHFHSA-N 2 1 365.521 3.805 20 0 FHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113728 942926987 /nfs/dbraw/zinc/92/69/87/942926987.db2.gz NNWWEKKREYJUMS-QHCPKHFHSA-N 2 1 365.521 3.805 20 0 FHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113728 942926990 /nfs/dbraw/zinc/92/69/90/942926990.db2.gz NNWWEKKREYJUMS-QHCPKHFHSA-N 2 1 365.521 3.805 20 0 FHADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115953 942928574 /nfs/dbraw/zinc/92/85/74/942928574.db2.gz HDKLWEYTKJVOAH-RZUBCFFCSA-N 2 1 357.586 3.807 20 0 FHADMP C[C@H]1C[C@H]1[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115953 942928579 /nfs/dbraw/zinc/92/85/79/942928579.db2.gz HDKLWEYTKJVOAH-RZUBCFFCSA-N 2 1 357.586 3.807 20 0 FHADMP C[C@H]1C[C@H]1[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115953 942928587 /nfs/dbraw/zinc/92/85/87/942928587.db2.gz HDKLWEYTKJVOAH-RZUBCFFCSA-N 2 1 357.586 3.807 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000503078928 942961245 /nfs/dbraw/zinc/96/12/45/942961245.db2.gz BKKVRRFFGZWNSN-XAYQJVIWSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@H]12 ZINC000503078928 942961253 /nfs/dbraw/zinc/96/12/53/942961253.db2.gz BKKVRRFFGZWNSN-XAYQJVIWSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@H]12 ZINC000503078928 942961258 /nfs/dbraw/zinc/96/12/58/942961258.db2.gz BKKVRRFFGZWNSN-XAYQJVIWSA-N 2 1 363.590 3.655 20 0 FHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854228 942968746 /nfs/dbraw/zinc/96/87/46/942968746.db2.gz URZWZOFVYRETFD-KXBFYZLASA-N 2 1 365.949 3.574 20 0 FHADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OCc1ccncc1 ZINC000414856973 943030494 /nfs/dbraw/zinc/03/04/94/943030494.db2.gz ZVHPHXITIBMAGZ-HXUWFJFHSA-N 2 1 369.509 3.666 20 0 FHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000396348392 943035227 /nfs/dbraw/zinc/03/52/27/943035227.db2.gz FEJLLRDXCZSYQQ-LMDPOFIKSA-N 2 1 370.459 3.724 20 0 FHADMP CCC[N@H+](Cc1conc1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074561 943059497 /nfs/dbraw/zinc/05/94/97/943059497.db2.gz QRJNFBYSFKOZLM-UHFFFAOYSA-N 2 1 357.502 3.525 20 0 FHADMP CCC[N@@H+](Cc1conc1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074561 943059502 /nfs/dbraw/zinc/05/95/02/943059502.db2.gz QRJNFBYSFKOZLM-UHFFFAOYSA-N 2 1 357.502 3.525 20 0 FHADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414658094 943131032 /nfs/dbraw/zinc/13/10/32/943131032.db2.gz PRZRJTWFICBPCP-UHFFFAOYSA-N 2 1 354.494 3.848 20 0 FHADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414658094 943131036 /nfs/dbraw/zinc/13/10/36/943131036.db2.gz PRZRJTWFICBPCP-UHFFFAOYSA-N 2 1 354.494 3.848 20 0 FHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@H](C)[NH2+]Cc4ccc(F)cc43)sc2C1 ZINC000414865935 943138061 /nfs/dbraw/zinc/13/80/61/943138061.db2.gz GEHHXFXRCJISFQ-AWEZNQCLSA-N 2 1 374.529 3.547 20 0 FHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414667243 943170681 /nfs/dbraw/zinc/17/06/81/943170681.db2.gz XYRRBQRPAAHCBX-OAQYLSRUSA-N 2 1 363.509 3.740 20 0 FHADMP Fc1ccc2oc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)nc2c1 ZINC000503432888 943180832 /nfs/dbraw/zinc/18/08/32/943180832.db2.gz AUTGRRSQFVAZOE-CQSZACIVSA-N 2 1 354.429 3.879 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272664835 943197086 /nfs/dbraw/zinc/19/70/86/943197086.db2.gz IVPWQFADJDKAFI-QKNQBKEWSA-N 2 1 371.569 3.827 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000422638932 943206722 /nfs/dbraw/zinc/20/67/22/943206722.db2.gz RUWDMSMEGKDSJZ-HLIPFELVSA-N 2 1 351.494 3.744 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636162 943215849 /nfs/dbraw/zinc/21/58/49/943215849.db2.gz MOCKVJNSPDNZFR-GGPKGHCWSA-N 2 1 365.521 3.987 20 0 FHADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713379 943254074 /nfs/dbraw/zinc/25/40/74/943254074.db2.gz JOIXIEWTJPORLM-KAOXLYBCSA-N 2 1 373.585 3.596 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718317 943256707 /nfs/dbraw/zinc/25/67/07/943256707.db2.gz WYFRUGLRVUJNEH-WOJBJXKFSA-N 2 1 355.457 3.828 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726338 943260825 /nfs/dbraw/zinc/26/08/25/943260825.db2.gz DQBSBCJIIQFHAO-FZKQIMNGSA-N 2 1 356.341 3.545 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755479 943274052 /nfs/dbraw/zinc/27/40/52/943274052.db2.gz HYVXVFVGZOFTEB-KSPVPNAGSA-N 2 1 371.569 3.588 20 0 FHADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755479 943274055 /nfs/dbraw/zinc/27/40/55/943274055.db2.gz HYVXVFVGZOFTEB-KSPVPNAGSA-N 2 1 371.569 3.588 20 0 FHADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422794371 943285594 /nfs/dbraw/zinc/28/55/94/943285594.db2.gz UFOOBVVSPOOUGN-WOJBJXKFSA-N 2 1 350.441 3.648 20 0 FHADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422806005 943290302 /nfs/dbraw/zinc/29/03/02/943290302.db2.gz HOYCVLVQZPQTLL-FCHUYYIVSA-N 2 1 365.521 3.752 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000422791666 943294108 /nfs/dbraw/zinc/29/41/08/943294108.db2.gz QMXGCQBQHNSQKP-KRWDZBQOSA-N 2 1 352.526 3.685 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422829305 943297082 /nfs/dbraw/zinc/29/70/82/943297082.db2.gz BRKGSBJHJYESLA-HFSMHLIXSA-N 2 1 357.567 3.508 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422837478 943301207 /nfs/dbraw/zinc/30/12/07/943301207.db2.gz UQEJMWAZISTECJ-QGZVFWFLSA-N 2 1 363.509 3.529 20 0 FHADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCC(C)CC1 ZINC000422851544 943306339 /nfs/dbraw/zinc/30/63/39/943306339.db2.gz XCASCPVLQPSVHN-XJUOHMSHSA-N 2 1 371.569 3.588 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCCC[C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422886551 943318467 /nfs/dbraw/zinc/31/84/67/943318467.db2.gz WXLOJGWCKPLPSE-COPCDDAFSA-N 2 1 359.558 3.733 20 0 FHADMP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422869454 943320904 /nfs/dbraw/zinc/32/09/04/943320904.db2.gz ACUKQNXEJCVYHT-PCCBWWKXSA-N 2 1 360.542 3.811 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422911224 943328562 /nfs/dbraw/zinc/32/85/62/943328562.db2.gz KKJUMUFQEVVDAN-DNVJHFABSA-N 2 1 371.569 3.562 20 0 FHADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422922631 943332862 /nfs/dbraw/zinc/33/28/62/943332862.db2.gz QIOSCNBIKLUKIN-XGHQBKJUSA-N 2 1 374.550 3.512 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414704956 943336472 /nfs/dbraw/zinc/33/64/72/943336472.db2.gz DZLKEBRAKCGVTC-QGZVFWFLSA-N 2 1 368.472 3.555 20 0 FHADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422935527 943337443 /nfs/dbraw/zinc/33/74/43/943337443.db2.gz ARHWCGZOLBCARF-GWCFXTLKSA-N 2 1 363.246 3.528 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942476 943340123 /nfs/dbraw/zinc/34/01/23/943340123.db2.gz KKJYLGPKLUWDLB-DNVCBOLYSA-N 2 1 359.901 3.607 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414707260 943342951 /nfs/dbraw/zinc/34/29/51/943342951.db2.gz HLRHGXUWFMKGDP-MJGOQNOKSA-N 2 1 370.541 3.524 20 0 FHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000422966810 943343454 /nfs/dbraw/zinc/34/34/54/943343454.db2.gz ASWSCTRICSIHMW-FXAWDEMLSA-N 2 1 369.509 3.610 20 0 FHADMP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975332 943355093 /nfs/dbraw/zinc/35/50/93/943355093.db2.gz SMUCYESCCLUZBF-DENIHFKCSA-N 2 1 367.493 3.606 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435374236 943355625 /nfs/dbraw/zinc/35/56/25/943355625.db2.gz XAFOIUMMWVZLJP-KDOFPFPSSA-N 2 1 360.933 3.761 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374271 943356071 /nfs/dbraw/zinc/35/60/71/943356071.db2.gz PXIZCIMUQPTWSY-CVEARBPZSA-N 2 1 352.507 3.770 20 0 FHADMP CCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC[NH+](Cc2ccccc2)CC1 ZINC000423004170 943362271 /nfs/dbraw/zinc/36/22/71/943362271.db2.gz OIEKQLDVORFQTD-GOSISDBHSA-N 3 1 352.526 3.837 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369280 943362492 /nfs/dbraw/zinc/36/24/92/943362492.db2.gz DDFTVWZCTNJPFN-MRXNPFEDSA-N 2 1 357.885 3.634 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369280 943362498 /nfs/dbraw/zinc/36/24/98/943362498.db2.gz DDFTVWZCTNJPFN-MRXNPFEDSA-N 2 1 357.885 3.634 20 0 FHADMP CC[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022467 943366905 /nfs/dbraw/zinc/36/69/05/943366905.db2.gz HSEPYYAAERTELD-UDTPNQRGSA-N 2 1 353.913 3.592 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022467 943366907 /nfs/dbraw/zinc/36/69/07/943366907.db2.gz HSEPYYAAERTELD-UDTPNQRGSA-N 2 1 353.913 3.592 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435379133 943367930 /nfs/dbraw/zinc/36/79/30/943367930.db2.gz LBTCEFABCXZWSA-YOEHRIQHSA-N 2 1 360.933 3.761 20 0 FHADMP C[N@H+]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022945 943369251 /nfs/dbraw/zinc/36/92/51/943369251.db2.gz ISHIISYELWPADL-AXUOBQJMSA-N 2 1 353.913 3.722 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022826 943369299 /nfs/dbraw/zinc/36/92/99/943369299.db2.gz FZRHSUXOOHWYOM-NEPJUHHUSA-N 2 1 368.102 3.604 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435386181 943373409 /nfs/dbraw/zinc/37/34/09/943373409.db2.gz VSTPETCJJDVVCS-FFZOFVMBSA-N 2 1 357.523 3.590 20 0 FHADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414713291 943374169 /nfs/dbraw/zinc/37/41/69/943374169.db2.gz ONLHBQHBMSQJOG-SJORKVTESA-N 2 1 358.530 3.652 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000435391020 943378313 /nfs/dbraw/zinc/37/83/13/943378313.db2.gz VDMSGSILYQZIHQ-KRWDZBQOSA-N 2 1 360.885 3.708 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000435391020 943378316 /nfs/dbraw/zinc/37/83/16/943378316.db2.gz VDMSGSILYQZIHQ-KRWDZBQOSA-N 2 1 360.885 3.708 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])OC(C)C ZINC000423052031 943384286 /nfs/dbraw/zinc/38/42/86/943384286.db2.gz OWNNAIJKKDEIRR-XJABCFGWSA-N 2 1 356.510 3.709 20 0 FHADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085195 943388677 /nfs/dbraw/zinc/38/86/77/943388677.db2.gz JZOOLXCUSIARIJ-KFPRQRBHSA-N 2 1 373.507 3.692 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000435396047 943389981 /nfs/dbraw/zinc/38/99/81/943389981.db2.gz UGLMYPICIZVDHK-KUHUBIRLSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000435396047 943389987 /nfs/dbraw/zinc/38/99/87/943389987.db2.gz UGLMYPICIZVDHK-KUHUBIRLSA-N 2 1 357.885 3.761 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423105484 943401109 /nfs/dbraw/zinc/40/11/09/943401109.db2.gz NNGJDGJJDXPDKV-MRXNPFEDSA-N 2 1 362.477 3.674 20 0 FHADMP COc1cc(C)nc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427286 943407364 /nfs/dbraw/zinc/40/73/64/943407364.db2.gz MERPECXAADWQAS-LJQANCHMSA-N 2 1 357.523 3.604 20 0 FHADMP COc1cc(C)nc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427286 943407368 /nfs/dbraw/zinc/40/73/68/943407368.db2.gz MERPECXAADWQAS-LJQANCHMSA-N 2 1 357.523 3.604 20 0 FHADMP c1cc(C[N@@H+](Cc2ccc3c(c2)CCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000414720144 943408716 /nfs/dbraw/zinc/40/87/16/943408716.db2.gz BDNQMSUWBXMLMV-HXUWFJFHSA-N 2 1 354.519 3.827 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)c2)cc1 ZINC000435437446 943415771 /nfs/dbraw/zinc/41/57/71/943415771.db2.gz KPDUDNIUWOQQKB-FQEVSTJZSA-N 2 1 367.493 3.521 20 0 FHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423143894 943419166 /nfs/dbraw/zinc/41/91/66/943419166.db2.gz FJZQEBIXXUZZLP-BURNTYAHSA-N 2 1 361.599 3.912 20 0 FHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184446 943419782 /nfs/dbraw/zinc/41/97/82/943419782.db2.gz ICHLSCCJHFHWGY-OAHLLOKOSA-N 2 1 351.416 3.801 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423179851 943429153 /nfs/dbraw/zinc/42/91/53/943429153.db2.gz AJWJEQWMNAKRMC-OAHLLOKOSA-N 2 1 367.522 3.739 20 0 FHADMP Brc1cccc2c1CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190882 943437183 /nfs/dbraw/zinc/43/71/83/943437183.db2.gz RXMJSMZPQWXQKL-SFHVURJKSA-N 2 1 360.299 3.601 20 0 FHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194046 943438008 /nfs/dbraw/zinc/43/80/08/943438008.db2.gz YDXGGVAGYRLEBJ-GOSISDBHSA-N 2 1 360.299 3.601 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423341589 943484797 /nfs/dbraw/zinc/48/47/97/943484797.db2.gz YLKQEXSOXQYBOI-OQPBUACISA-N 2 1 351.210 3.856 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000164035256 943493211 /nfs/dbraw/zinc/49/32/11/943493211.db2.gz GMYMJOPFONUKQV-ABSDTBQOSA-N 2 1 369.509 3.803 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000164035256 943493218 /nfs/dbraw/zinc/49/32/18/943493218.db2.gz GMYMJOPFONUKQV-ABSDTBQOSA-N 2 1 369.509 3.803 20 0 FHADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423381785 943496046 /nfs/dbraw/zinc/49/60/46/943496046.db2.gz OOWFCKNJONOSDA-MXWKQRLJSA-N 2 1 350.356 3.681 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423374938 943504000 /nfs/dbraw/zinc/50/40/00/943504000.db2.gz UCVQERQJLOIBPJ-GXFFZTMASA-N 2 1 366.328 3.887 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435616908 943516898 /nfs/dbraw/zinc/51/68/98/943516898.db2.gz UPDHAHVEYZJGMW-OAQYLSRUSA-N 2 1 351.494 3.903 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000423503199 943530993 /nfs/dbraw/zinc/53/09/93/943530993.db2.gz FSJKIOPTQYZBNG-IYXRBSQSSA-N 2 1 374.331 4.000 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1Cl ZINC000423509654 943533175 /nfs/dbraw/zinc/53/31/75/943533175.db2.gz LSEFYYKRRUZYNG-IUDNXUCKSA-N 2 1 356.341 3.860 20 0 FHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423490166 943535083 /nfs/dbraw/zinc/53/50/83/943535083.db2.gz YHTLKURMZZPCKC-WMZOPIPTSA-N 2 1 365.855 3.853 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496108 943537691 /nfs/dbraw/zinc/53/76/91/943537691.db2.gz DFUOXKXZQMKPIC-HTAPYJJXSA-N 2 1 355.526 3.540 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533635 943540080 /nfs/dbraw/zinc/54/00/80/943540080.db2.gz YBUYCZVIUXPDJT-ISPRVBGISA-N 2 1 367.581 3.640 20 0 FHADMP CCCCOc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423517353 943543401 /nfs/dbraw/zinc/54/34/01/943543401.db2.gz YAVFMMLDCZBCLF-KMFTYDHNSA-N 2 1 359.558 3.733 20 0 FHADMP FC(F)(F)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167959615 943544615 /nfs/dbraw/zinc/54/46/15/943544615.db2.gz ROEWSYCDBCGUNV-ALOPSCKCSA-N 2 1 369.431 3.518 20 0 FHADMP FC(F)(F)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167959615 943544620 /nfs/dbraw/zinc/54/46/20/943544620.db2.gz ROEWSYCDBCGUNV-ALOPSCKCSA-N 2 1 369.431 3.518 20 0 FHADMP CC[NH+](CC)CCCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000504252041 943562937 /nfs/dbraw/zinc/56/29/37/943562937.db2.gz RQUXDBMFBFSDKS-HXUWFJFHSA-N 2 1 351.579 3.612 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000515239406 943590520 /nfs/dbraw/zinc/59/05/20/943590520.db2.gz DYKNEPLCKAMILB-ACRUOGEOSA-N 2 1 355.526 3.778 20 0 FHADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000431949939 943641659 /nfs/dbraw/zinc/64/16/59/943641659.db2.gz KFRDEOLDRSVOAV-HZPDHXFCSA-N 2 1 371.447 3.596 20 0 FHADMP Cc1ccccc1-c1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414772495 943706277 /nfs/dbraw/zinc/70/62/77/943706277.db2.gz BXEBZYFUPMIRRH-NRFANRHFSA-N 2 1 350.506 3.849 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773181 943714089 /nfs/dbraw/zinc/71/40/89/943714089.db2.gz DCNWJZJAWDBNAJ-RYUDHWBXSA-N 2 1 359.258 3.549 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773181 943714142 /nfs/dbraw/zinc/71/41/42/943714142.db2.gz DCNWJZJAWDBNAJ-RYUDHWBXSA-N 2 1 359.258 3.549 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424111152 943736326 /nfs/dbraw/zinc/73/63/26/943736326.db2.gz FVNCHMAPUXLHMW-FXAWDEMLSA-N 2 1 357.542 3.550 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C(=O)Nc3ccccc3)cc1)CC[NH2+]CC2 ZINC000424286552 943819358 /nfs/dbraw/zinc/81/93/58/943819358.db2.gz HGEAEULTMHAGKW-GOSISDBHSA-N 2 1 363.505 3.903 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(COc3ccccc3)n1)CC[NH2+]CC2 ZINC000424287579 943819385 /nfs/dbraw/zinc/81/93/85/943819385.db2.gz JAGXYBDABQKRAX-MRXNPFEDSA-N 2 1 357.523 3.686 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)c3cccnc13)CC[NH2+]CC2 ZINC000424292982 943823527 /nfs/dbraw/zinc/82/35/27/943823527.db2.gz PCWSXZHETCLEQA-AWEZNQCLSA-N 2 1 374.326 3.961 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCc3ccncc3)cc1)CC[NH2+]CC2 ZINC000424295921 943825222 /nfs/dbraw/zinc/82/52/22/943825222.db2.gz RRIKLNMGXGSHML-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCc3cccnc3)cc1)CC[NH2+]CC2 ZINC000424299966 943827003 /nfs/dbraw/zinc/82/70/03/943827003.db2.gz WIIVJUDIWUEHLJ-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424274076 943830228 /nfs/dbraw/zinc/83/02/28/943830228.db2.gz VDIKWQYJXVWJCH-PPULBPTMSA-N 2 1 372.553 3.589 20 0 FHADMP COc1ccccc1-c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424301903 943851373 /nfs/dbraw/zinc/85/13/73/943851373.db2.gz YFDOETDTNYKNNS-OAHLLOKOSA-N 2 1 357.523 3.783 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3cc(C(F)(F)F)ccc3n1C)CC[NH2+]CC2 ZINC000424375315 943885494 /nfs/dbraw/zinc/88/54/94/943885494.db2.gz JKMIBAKACAMQLP-CYBMUJFWSA-N 2 1 366.431 3.556 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425432577 943906857 /nfs/dbraw/zinc/90/68/57/943906857.db2.gz KYHMQJRNRZLCFX-PKOBYXMFSA-N 2 1 350.510 3.886 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425432577 943906858 /nfs/dbraw/zinc/90/68/58/943906858.db2.gz KYHMQJRNRZLCFX-PKOBYXMFSA-N 2 1 350.510 3.886 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000424442155 943917030 /nfs/dbraw/zinc/91/70/30/943917030.db2.gz XIRARZDOOHEYOB-XLIONFOSSA-N 2 1 366.509 3.628 20 0 FHADMP CCN(C(=O)Nc1cc(C)cc(C[NH3+])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424426111 943922341 /nfs/dbraw/zinc/92/23/41/943922341.db2.gz LJPSJECIULDUEH-NRFANRHFSA-N 2 1 366.509 3.582 20 0 FHADMP C[C@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000425439998 943925609 /nfs/dbraw/zinc/92/56/09/943925609.db2.gz BIYMEBGLRZKIJZ-GOSISDBHSA-N 2 1 369.553 3.735 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515521819 943975175 /nfs/dbraw/zinc/97/51/75/943975175.db2.gz XOAWWBXUKOZDQE-CEXWTWQISA-N 2 1 373.585 3.947 20 0 FHADMP C[C@@H]1C[C@H](NCc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195898 944079153 /nfs/dbraw/zinc/07/91/53/944079153.db2.gz FXEAKLBTFARETN-DENIHFKCSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1Cc1ccccc1 ZINC000517195898 944079158 /nfs/dbraw/zinc/07/91/58/944079158.db2.gz FXEAKLBTFARETN-DENIHFKCSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000517195898 944079161 /nfs/dbraw/zinc/07/91/61/944079161.db2.gz FXEAKLBTFARETN-DENIHFKCSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195898 944079166 /nfs/dbraw/zinc/07/91/66/944079166.db2.gz FXEAKLBTFARETN-DENIHFKCSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000437771209 944100154 /nfs/dbraw/zinc/10/01/54/944100154.db2.gz IESXDCWFAAXQPO-SGNDLWITSA-N 2 1 364.533 3.853 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000517202464 944101186 /nfs/dbraw/zinc/10/11/86/944101186.db2.gz JJAWXHYBHKUJRY-UHFFFAOYSA-N 2 1 369.472 3.743 20 0 FHADMP Cc1cc(N2CCC([NH2+]CCCCOc3ccccc3)CC2)nc(C)[nH+]1 ZINC000437774323 944105946 /nfs/dbraw/zinc/10/59/46/944105946.db2.gz NGYNPGOKUHFHDP-UHFFFAOYSA-N 2 1 354.498 3.511 20 0 FHADMP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116946 944123494 /nfs/dbraw/zinc/12/34/94/944123494.db2.gz PIAURPGFSADTIQ-PKTZIBPZSA-N 2 1 357.586 3.979 20 0 FHADMP O[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000436235718 944138927 /nfs/dbraw/zinc/13/89/27/944138927.db2.gz ARPUESSOGCCVTL-ZRBLBEILSA-N 2 1 350.506 3.549 20 0 FHADMP O[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000436235718 944138933 /nfs/dbraw/zinc/13/89/33/944138933.db2.gz ARPUESSOGCCVTL-ZRBLBEILSA-N 2 1 350.506 3.549 20 0 FHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C2)cc1 ZINC000436266508 944157667 /nfs/dbraw/zinc/15/76/67/944157667.db2.gz AENQHYUQNCNDGP-NFBKMPQASA-N 2 1 350.506 3.945 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436282889 944162105 /nfs/dbraw/zinc/16/21/05/944162105.db2.gz SEBPVHKAODDBIG-HDICACEKSA-N 2 1 358.505 3.528 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436282889 944162111 /nfs/dbraw/zinc/16/21/11/944162111.db2.gz SEBPVHKAODDBIG-HDICACEKSA-N 2 1 358.505 3.528 20 0 FHADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757582 944185632 /nfs/dbraw/zinc/18/56/32/944185632.db2.gz IMCROWZBDPVRMG-OTWHNJEPSA-N 2 1 373.585 3.947 20 0 FHADMP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000418137525 944190979 /nfs/dbraw/zinc/19/09/79/944190979.db2.gz DZFFZOFUEJZPML-NHCUHLMSSA-N 2 1 372.557 3.563 20 0 FHADMP CCCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000390460172 944224597 /nfs/dbraw/zinc/22/45/97/944224597.db2.gz GLWFYWZWWNBJMB-CYBMUJFWSA-N 2 1 373.335 3.534 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000550127925 944244390 /nfs/dbraw/zinc/24/43/90/944244390.db2.gz RYXVXDWHOXTCRU-LJQANCHMSA-N 2 1 357.542 3.553 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474511 944303497 /nfs/dbraw/zinc/30/34/97/944303497.db2.gz NJCFZJPOFNIQNY-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474511 944303504 /nfs/dbraw/zinc/30/35/04/944303504.db2.gz NJCFZJPOFNIQNY-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474511 944303520 /nfs/dbraw/zinc/30/35/20/944303520.db2.gz NJCFZJPOFNIQNY-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474511 944303527 /nfs/dbraw/zinc/30/35/27/944303527.db2.gz NJCFZJPOFNIQNY-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000550161448 944305240 /nfs/dbraw/zinc/30/52/40/944305240.db2.gz LTBIMNMEVQKJRQ-OALUTQOASA-N 2 1 357.542 3.593 20 0 FHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000550165949 944320287 /nfs/dbraw/zinc/32/02/87/944320287.db2.gz AHVOITRYYMHYNZ-GOSISDBHSA-N 2 1 361.530 3.610 20 0 FHADMP CC(C)N(C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483934 944321519 /nfs/dbraw/zinc/32/15/19/944321519.db2.gz CXCDAOSXDLZCNV-HSALFYBXSA-N 2 1 351.579 3.607 20 0 FHADMP CC1(C)C[N@@H+](CCn2ccnc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836757 944347152 /nfs/dbraw/zinc/34/71/52/944347152.db2.gz XCDNIUYULHRDNV-NRFANRHFSA-N 2 1 352.526 3.506 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000518413321 944360144 /nfs/dbraw/zinc/36/01/44/944360144.db2.gz XXMMDMQUVNAXON-YTFSRNRJSA-N 3 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000518413321 944360152 /nfs/dbraw/zinc/36/01/52/944360152.db2.gz XXMMDMQUVNAXON-YTFSRNRJSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000518413321 944360160 /nfs/dbraw/zinc/36/01/60/944360160.db2.gz XXMMDMQUVNAXON-YTFSRNRJSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000518413321 944360173 /nfs/dbraw/zinc/36/01/73/944360173.db2.gz XXMMDMQUVNAXON-YTFSRNRJSA-N 2 1 355.570 3.881 20 0 FHADMP Cn1cc(CC[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000664836782 944381096 /nfs/dbraw/zinc/38/10/96/944381096.db2.gz XUNRHLXQAOXAGF-JOCHJYFZSA-N 2 1 366.553 3.585 20 0 FHADMP CC1(C)C[N@@H+](CCn2cccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838487 944396901 /nfs/dbraw/zinc/39/69/01/944396901.db2.gz RYPMDFCZQCCUHR-OAQYLSRUSA-N 2 1 352.526 3.506 20 0 FHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000311249609 944452084 /nfs/dbraw/zinc/45/20/84/944452084.db2.gz IXCBOWCNNZVODM-MANSERQUSA-N 2 1 367.578 3.875 20 0 FHADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1C ZINC001167981979 944492235 /nfs/dbraw/zinc/49/22/35/944492235.db2.gz RNDTWOHHNLLKGW-AIZNXBIQSA-N 2 1 353.554 3.831 20 0 FHADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1C ZINC001167981979 944492243 /nfs/dbraw/zinc/49/22/43/944492243.db2.gz RNDTWOHHNLLKGW-AIZNXBIQSA-N 2 1 353.554 3.831 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238102 944545559 /nfs/dbraw/zinc/54/55/59/944545559.db2.gz RJUNRPFRWORQPR-JOCHJYFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238102 944545562 /nfs/dbraw/zinc/54/55/62/944545562.db2.gz RJUNRPFRWORQPR-JOCHJYFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238102 944545568 /nfs/dbraw/zinc/54/55/68/944545568.db2.gz RJUNRPFRWORQPR-JOCHJYFZSA-N 2 1 354.542 3.933 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000514097859 944551549 /nfs/dbraw/zinc/55/15/49/944551549.db2.gz BVTSKIMHPCRSTO-UHFFFAOYSA-N 2 1 368.569 3.889 20 0 FHADMP CC1CC[NH+](C[C@H]2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201030 944572363 /nfs/dbraw/zinc/57/23/63/944572363.db2.gz PYXNWDOWVDYTKX-PKTZIBPZSA-N 2 1 355.570 3.705 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@@H]21 ZINC000516292857 944674498 /nfs/dbraw/zinc/67/44/98/944674498.db2.gz AAAPRSGDIZCZRZ-MHTWAQMVSA-N 2 1 374.488 3.885 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@@H]21 ZINC000516292857 944674506 /nfs/dbraw/zinc/67/45/06/944674506.db2.gz AAAPRSGDIZCZRZ-MHTWAQMVSA-N 2 1 374.488 3.885 20 0 FHADMP C[C@H](CC(C)(C)C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000500386909 944713863 /nfs/dbraw/zinc/71/38/63/944713863.db2.gz NINDEEKDHMAHEN-GOSISDBHSA-N 2 1 365.606 3.713 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000426410068 944720909 /nfs/dbraw/zinc/72/09/09/944720909.db2.gz JZXLGBITJJDSHB-SFHVURJKSA-N 2 1 368.521 3.976 20 0 FHADMP CCC(CC)(CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000426416095 944729311 /nfs/dbraw/zinc/72/93/11/944729311.db2.gz GNYMUCUHEXHREU-YLJYHZDGSA-N 2 1 357.542 3.639 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000517865815 944762711 /nfs/dbraw/zinc/76/27/11/944762711.db2.gz POBQSHYWWVPUDX-CTNGQTDRSA-N 2 1 359.558 3.698 20 0 FHADMP CCCc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000426786027 944802869 /nfs/dbraw/zinc/80/28/69/944802869.db2.gz SCSBJLUQTVLKAT-CALCHBBNSA-N 2 1 365.587 3.807 20 0 FHADMP CCCc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000426786027 944802875 /nfs/dbraw/zinc/80/28/75/944802875.db2.gz SCSBJLUQTVLKAT-CALCHBBNSA-N 2 1 365.587 3.807 20 0 FHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000467373653 944865958 /nfs/dbraw/zinc/86/59/58/944865958.db2.gz OOGCVEGEJFHBJK-IBGZPJMESA-N 2 1 355.457 3.784 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000414896040 944939039 /nfs/dbraw/zinc/93/90/39/944939039.db2.gz AULBEESEQQLNHA-LPHOPBHVSA-N 2 1 369.513 3.646 20 0 FHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000511725762 944952109 /nfs/dbraw/zinc/95/21/09/944952109.db2.gz VZAVOPDWTOMXFU-UHFFFAOYSA-N 2 1 365.949 3.539 20 0 FHADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414949284 945006914 /nfs/dbraw/zinc/00/69/14/945006914.db2.gz ZPVQEHNHHJIKFA-IFXJQAMLSA-N 2 1 357.885 3.680 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[NH2+]1 ZINC000414951814 945019829 /nfs/dbraw/zinc/01/98/29/945019829.db2.gz QEGBXXGGOROCJF-ZBFHGGJFSA-N 2 1 357.885 3.822 20 0 FHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414952801 945027434 /nfs/dbraw/zinc/02/74/34/945027434.db2.gz QZHKXIUWJHXQDM-FXAWDEMLSA-N 2 1 354.494 3.894 20 0 FHADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660676158 945382776 /nfs/dbraw/zinc/38/27/76/945382776.db2.gz PGJUSTIHMSNZFF-UHFFFAOYSA-N 2 1 351.494 3.578 20 0 FHADMP CCOc1c(Br)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000469851748 945390908 /nfs/dbraw/zinc/39/09/08/945390908.db2.gz DEHQZQOHHBPENT-HNNXBMFYSA-N 2 1 373.335 3.662 20 0 FHADMP CCOc1c(Br)cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000469851748 945390914 /nfs/dbraw/zinc/39/09/14/945390914.db2.gz DEHQZQOHHBPENT-HNNXBMFYSA-N 2 1 373.335 3.662 20 0 FHADMP c1n[nH]nc1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764443 945473543 /nfs/dbraw/zinc/47/35/43/945473543.db2.gz NPXGYNCGGXKGMB-QFIPXVFZSA-N 2 1 367.541 3.504 20 0 FHADMP c1[nH]nnc1CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764443 945473547 /nfs/dbraw/zinc/47/35/47/945473547.db2.gz NPXGYNCGGXKGMB-QFIPXVFZSA-N 2 1 367.541 3.504 20 0 FHADMP c1[nH]nnc1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764443 945473554 /nfs/dbraw/zinc/47/35/54/945473554.db2.gz NPXGYNCGGXKGMB-QFIPXVFZSA-N 2 1 367.541 3.504 20 0 FHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000187777181 945594310 /nfs/dbraw/zinc/59/43/10/945594310.db2.gz GPPRDWPFBHJWST-AVRDEDQJSA-N 2 1 360.542 3.592 20 0 FHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894454953 945684978 /nfs/dbraw/zinc/68/49/78/945684978.db2.gz CPHJRLXYVPMTLS-CQSZACIVSA-N 2 1 353.532 3.915 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894454953 945684981 /nfs/dbraw/zinc/68/49/81/945684981.db2.gz CPHJRLXYVPMTLS-CQSZACIVSA-N 2 1 353.532 3.915 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)C1 ZINC000415131041 945695476 /nfs/dbraw/zinc/69/54/76/945695476.db2.gz YITIFGJBHDHBSL-NVXWUHKLSA-N 2 1 360.395 3.563 20 0 FHADMP c1ccc(C[C@@H](C[NH+]2CCCC2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167970562 945780154 /nfs/dbraw/zinc/78/01/54/945780154.db2.gz MYGFEHVZGLPUDK-NUYKZFOBSA-N 2 1 367.581 3.689 20 0 FHADMP COc1cc(OC)c(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651756244 945840550 /nfs/dbraw/zinc/84/05/50/945840550.db2.gz PAZMGDQTUZPXIP-AEFFLSMTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651756244 945840565 /nfs/dbraw/zinc/84/05/65/945840565.db2.gz PAZMGDQTUZPXIP-AEFFLSMTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651756244 945840580 /nfs/dbraw/zinc/84/05/80/945840580.db2.gz PAZMGDQTUZPXIP-AEFFLSMTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000651758575 945848586 /nfs/dbraw/zinc/84/85/86/945848586.db2.gz FIOQXXHJAMHNHZ-GJZGRUSLSA-N 2 1 350.478 3.586 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000651758575 945848601 /nfs/dbraw/zinc/84/86/01/945848601.db2.gz FIOQXXHJAMHNHZ-GJZGRUSLSA-N 2 1 350.478 3.586 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415906721 945898716 /nfs/dbraw/zinc/89/87/16/945898716.db2.gz LKOBCVPZQMDZGX-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301800687 945972430 /nfs/dbraw/zinc/97/24/30/945972430.db2.gz SGIXHWNWYOYZJS-UHFFFAOYSA-N 2 1 367.415 3.801 20 0 FHADMP Clc1cc(Cl)cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655700763 946050120 /nfs/dbraw/zinc/05/01/20/946050120.db2.gz PAACAOMLSBRTNI-SFHVURJKSA-N 2 1 357.325 3.769 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000520044449 946070668 /nfs/dbraw/zinc/07/06/68/946070668.db2.gz SABPQMBMRHOASS-NSHGMRRFSA-N 2 1 351.579 3.514 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000520044447 946070984 /nfs/dbraw/zinc/07/09/84/946070984.db2.gz SABPQMBMRHOASS-GGPKGHCWSA-N 2 1 351.579 3.514 20 0 FHADMP CCc1c(C)[nH+]c2ccccc2c1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000302038213 946090326 /nfs/dbraw/zinc/09/03/26/946090326.db2.gz MSTLSRMPMJTOQK-IBGZPJMESA-N 2 1 366.553 3.712 20 0 FHADMP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000579141618 946132321 /nfs/dbraw/zinc/13/23/21/946132321.db2.gz MQFWMHFECLVOTF-UHFFFAOYSA-N 2 1 359.901 3.758 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000651884595 946150569 /nfs/dbraw/zinc/15/05/69/946150569.db2.gz LWFFRHNNBRVDAS-UCFCWBNQSA-N 2 1 364.533 3.506 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000651884595 946150576 /nfs/dbraw/zinc/15/05/76/946150576.db2.gz LWFFRHNNBRVDAS-UCFCWBNQSA-N 2 1 364.533 3.506 20 0 FHADMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000045806807 946161912 /nfs/dbraw/zinc/16/19/12/946161912.db2.gz VSIIJSSXMNLUTM-GOSISDBHSA-N 2 1 373.541 3.610 20 0 FHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746605 946307130 /nfs/dbraw/zinc/30/71/30/946307130.db2.gz SIJASJQBESPWPL-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746605 946307142 /nfs/dbraw/zinc/30/71/42/946307142.db2.gz SIJASJQBESPWPL-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746605 946307156 /nfs/dbraw/zinc/30/71/56/946307156.db2.gz SIJASJQBESPWPL-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970789 946396845 /nfs/dbraw/zinc/39/68/45/946396845.db2.gz BIGBHJXFFSQAMZ-UONOGXRCSA-N 2 1 370.324 3.644 20 0 FHADMP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccn2)cc1 ZINC000652154801 946402406 /nfs/dbraw/zinc/40/24/06/946402406.db2.gz OXRWXJMTHUWIFL-NRFANRHFSA-N 2 1 350.466 3.755 20 0 FHADMP CCOc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)c1OC ZINC000475129578 946435910 /nfs/dbraw/zinc/43/59/10/946435910.db2.gz JWUSRMWVQRWDNA-UHFFFAOYSA-N 2 1 352.906 3.808 20 0 FHADMP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)c1OC ZINC000475129578 946435917 /nfs/dbraw/zinc/43/59/17/946435917.db2.gz JWUSRMWVQRWDNA-UHFFFAOYSA-N 2 1 352.906 3.808 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)C3)cc1 ZINC000652247369 946528336 /nfs/dbraw/zinc/52/83/36/946528336.db2.gz JISIDLCUTRGOLT-BXXSPATCSA-N 2 1 354.538 3.977 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396835 946559794 /nfs/dbraw/zinc/55/97/94/946559794.db2.gz OTIKHZARLMNCMA-WMZOPIPTSA-N 2 1 372.475 3.711 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000652309168 946691918 /nfs/dbraw/zinc/69/19/18/946691918.db2.gz HVXSQEKHZLGBKD-QESAQDPVSA-N 2 1 360.542 3.633 20 0 FHADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)C(C)C ZINC000112658359 946712534 /nfs/dbraw/zinc/71/25/34/946712534.db2.gz IKWHQHVTDISWKI-KRWDZBQOSA-N 2 1 363.571 3.540 20 0 FHADMP C[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858745 946773553 /nfs/dbraw/zinc/77/35/53/946773553.db2.gz VAFDFYCDHBIYQK-ZRNYENFQSA-N 2 1 360.542 3.685 20 0 FHADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC4(C3)CC[NH+](C)CC4)n2)cc1F ZINC000639760187 946788786 /nfs/dbraw/zinc/78/87/86/946788786.db2.gz UBIITFINNSKMLY-HNNXBMFYSA-N 2 1 358.461 3.663 20 0 FHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCC[C@H](C)C1 ZINC000550380489 946884369 /nfs/dbraw/zinc/88/43/69/946884369.db2.gz YVQHPXJAFDENIN-ICSRJNTNSA-N 2 1 351.579 3.656 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OCC)[C@@H](C)C1 ZINC000537941532 946885553 /nfs/dbraw/zinc/88/55/53/946885553.db2.gz USINCLLZAKZCQJ-LPHOPBHVSA-N 2 1 368.949 3.965 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OCC)[C@@H](C)C1 ZINC000537941532 946885563 /nfs/dbraw/zinc/88/55/63/946885563.db2.gz USINCLLZAKZCQJ-LPHOPBHVSA-N 2 1 368.949 3.965 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348722 946887577 /nfs/dbraw/zinc/88/75/77/946887577.db2.gz OURZYOLRTFVGCG-LMMKCTJWSA-N 2 1 363.571 3.909 20 0 FHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349620 946890031 /nfs/dbraw/zinc/89/00/31/946890031.db2.gz VWEGSEIOUWECAQ-BVBHFADKSA-N 2 1 355.482 3.621 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1CC[NH3+] ZINC000652353721 946903666 /nfs/dbraw/zinc/90/36/66/946903666.db2.gz AQDAMXXMPVGQIR-UTKZUKDTSA-N 2 1 351.494 3.888 20 0 FHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652361142 946929652 /nfs/dbraw/zinc/92/96/52/946929652.db2.gz YXGXYJYDPNQAAT-CEWLAPEOSA-N 2 1 358.526 3.675 20 0 FHADMP CCCc1noc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167995288 946929829 /nfs/dbraw/zinc/92/98/29/946929829.db2.gz ZIIVKVWHJQJUEC-KAKFPZCNSA-N 2 1 358.530 3.607 20 0 FHADMP CCCc1noc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001167995288 946929841 /nfs/dbraw/zinc/92/98/41/946929841.db2.gz ZIIVKVWHJQJUEC-KAKFPZCNSA-N 2 1 358.530 3.607 20 0 FHADMP CCCc1noc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001167995288 946929848 /nfs/dbraw/zinc/92/98/48/946929848.db2.gz ZIIVKVWHJQJUEC-KAKFPZCNSA-N 2 1 358.530 3.607 20 0 FHADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2csc(Cl)c2Cl)ccn1 ZINC000432256235 946974512 /nfs/dbraw/zinc/97/45/12/946974512.db2.gz SGLRNWKTOOOWOE-UHFFFAOYSA-N 2 1 360.310 3.680 20 0 FHADMP CC(C)COc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655711496 947040395 /nfs/dbraw/zinc/04/03/95/947040395.db2.gz GZCPKEWSLUTJGX-NRFANRHFSA-N 2 1 374.569 3.842 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2c1 ZINC000101590313 947090439 /nfs/dbraw/zinc/09/04/39/947090439.db2.gz CNIRRIUCCAQWDS-UHFFFAOYSA-N 2 1 364.537 3.942 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192932172 947115178 /nfs/dbraw/zinc/11/51/78/947115178.db2.gz NIELWHUDXUNVAO-SFHVURJKSA-N 2 1 350.466 3.590 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1)C1CC1 ZINC000523392591 947192073 /nfs/dbraw/zinc/19/20/73/947192073.db2.gz VBDSESAHLSZILL-UHFFFAOYSA-N 2 1 369.553 3.761 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](C3CCCC3)CC2)cc1)C1CC1 ZINC000523392591 947192060 /nfs/dbraw/zinc/19/20/60/947192060.db2.gz VBDSESAHLSZILL-UHFFFAOYSA-N 2 1 369.553 3.761 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1)C1CC1 ZINC000523392591 947192067 /nfs/dbraw/zinc/19/20/67/947192067.db2.gz VBDSESAHLSZILL-UHFFFAOYSA-N 2 1 369.553 3.761 20 0 FHADMP Brc1ccc2[nH+]ccc(NCCCC[NH+]3CCOCC3)c2c1 ZINC000301129219 947192861 /nfs/dbraw/zinc/19/28/61/947192861.db2.gz QHXJZTAJVIZMCI-UHFFFAOYSA-N 2 1 364.287 3.522 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+](C(C)C)C3)c2c1C ZINC000301128465 947192983 /nfs/dbraw/zinc/19/29/83/947192983.db2.gz RWNCNQRBQGCENU-INIZCTEOSA-N 2 1 373.570 3.799 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+](C(C)C)C3)c2c1C ZINC000301128465 947192987 /nfs/dbraw/zinc/19/29/87/947192987.db2.gz RWNCNQRBQGCENU-INIZCTEOSA-N 2 1 373.570 3.799 20 0 FHADMP CCOCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000246907935 947255735 /nfs/dbraw/zinc/25/57/35/947255735.db2.gz UPCWWHWTYSISHJ-GHTZIAJQSA-N 2 1 358.526 3.680 20 0 FHADMP CCOCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000246907935 947255741 /nfs/dbraw/zinc/25/57/41/947255741.db2.gz UPCWWHWTYSISHJ-GHTZIAJQSA-N 2 1 358.526 3.680 20 0 FHADMP CCOCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000246907935 947255750 /nfs/dbraw/zinc/25/57/50/947255750.db2.gz UPCWWHWTYSISHJ-GHTZIAJQSA-N 2 1 358.526 3.680 20 0 FHADMP CCOCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000246907935 947255760 /nfs/dbraw/zinc/25/57/60/947255760.db2.gz UPCWWHWTYSISHJ-GHTZIAJQSA-N 2 1 358.526 3.680 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)CCO1 ZINC000251738946 947348293 /nfs/dbraw/zinc/34/82/93/947348293.db2.gz PZPWARVOERJOLM-JPYJTQIMSA-N 2 1 365.521 3.944 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)CCO1 ZINC000251738946 947348307 /nfs/dbraw/zinc/34/83/07/947348307.db2.gz PZPWARVOERJOLM-JPYJTQIMSA-N 2 1 365.521 3.944 20 0 FHADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441449998 947490995 /nfs/dbraw/zinc/49/09/95/947490995.db2.gz KGBORSMSCQDQLF-MRXNPFEDSA-N 2 1 356.432 3.892 20 0 FHADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441449998 947491000 /nfs/dbraw/zinc/49/10/00/947491000.db2.gz KGBORSMSCQDQLF-MRXNPFEDSA-N 2 1 356.432 3.892 20 0 FHADMP Fc1ccc(Cn2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cn2)cc1 ZINC000189097582 947597588 /nfs/dbraw/zinc/59/75/88/947597588.db2.gz RTLPAERIIJBQCM-UHFFFAOYSA-N 2 1 370.516 3.815 20 0 FHADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523852316 947653308 /nfs/dbraw/zinc/65/33/08/947653308.db2.gz OUBNBEMPRUWEQY-QKLQHJQFSA-N 2 1 361.574 3.771 20 0 FHADMP FC(F)(F)c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256123 947678201 /nfs/dbraw/zinc/67/82/01/947678201.db2.gz GQFWGCDLYXWPQQ-IAGOWNOFSA-N 2 1 354.416 3.753 20 0 FHADMP C[NH+](CC1=CCSC1)Cc1ccccc1C[N@@H+](C)CC1=CCSC1 ZINC000662264845 947683760 /nfs/dbraw/zinc/68/37/60/947683760.db2.gz SPADXGBSYSIURE-UHFFFAOYSA-N 2 1 360.592 3.897 20 0 FHADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290579 947713591 /nfs/dbraw/zinc/71/35/91/947713591.db2.gz WYUSOIHPINBAJH-GOSISDBHSA-N 2 1 357.542 3.634 20 0 FHADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294186 947715993 /nfs/dbraw/zinc/71/59/93/947715993.db2.gz BTQAESLFSBRGEH-QGZVFWFLSA-N 2 1 374.916 3.644 20 0 FHADMP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294040 947716273 /nfs/dbraw/zinc/71/62/73/947716273.db2.gz AJCJBEUWPUEXCU-MRXNPFEDSA-N 2 1 360.889 3.602 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295797 947722145 /nfs/dbraw/zinc/72/21/45/947722145.db2.gz UMPUJROHPVGDMA-QUCCMNQESA-N 2 1 357.542 3.650 20 0 FHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662296396 947723738 /nfs/dbraw/zinc/72/37/38/947723738.db2.gz ZKBBAQLAGCWONU-GOSISDBHSA-N 2 1 355.482 3.562 20 0 FHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313684 947747274 /nfs/dbraw/zinc/74/72/74/947747274.db2.gz KRMGTTDKLFDHOV-ZHALLVOQSA-N 2 1 371.525 3.792 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC000662321468 947748683 /nfs/dbraw/zinc/74/86/83/947748683.db2.gz IXIZGQKLOUWNBR-SFHVURJKSA-N 2 1 374.447 3.517 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC000662321468 947748688 /nfs/dbraw/zinc/74/86/88/947748688.db2.gz IXIZGQKLOUWNBR-SFHVURJKSA-N 2 1 374.447 3.517 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CCO1 ZINC000662320554 947748910 /nfs/dbraw/zinc/74/89/10/947748910.db2.gz CFLHTLZENKSGLJ-HXUWFJFHSA-N 2 1 356.510 3.651 20 0 FHADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)o2)cc1 ZINC000128581385 947750665 /nfs/dbraw/zinc/75/06/65/947750665.db2.gz NSITVKFVBPFRRU-OAQYLSRUSA-N 2 1 355.526 3.617 20 0 FHADMP Clc1ccsc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327305 947760031 /nfs/dbraw/zinc/76/00/31/947760031.db2.gz MTIYRCJAKFGHSV-UHFFFAOYSA-N 2 1 364.946 3.971 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662389703 947774823 /nfs/dbraw/zinc/77/48/23/947774823.db2.gz ZOXCNTUOWHODQF-KRWDZBQOSA-N 2 1 363.505 3.594 20 0 FHADMP COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346880 947814925 /nfs/dbraw/zinc/81/49/25/947814925.db2.gz WNWOYCJQPPGKBV-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346880 947814929 /nfs/dbraw/zinc/81/49/29/947814929.db2.gz WNWOYCJQPPGKBV-OAHLLOKOSA-N 2 1 367.331 3.669 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345395 947818165 /nfs/dbraw/zinc/81/81/65/947818165.db2.gz JWVIIVJCXXQQMO-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345395 947818175 /nfs/dbraw/zinc/81/81/75/947818175.db2.gz JWVIIVJCXXQQMO-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662503457 947873489 /nfs/dbraw/zinc/87/34/89/947873489.db2.gz UISGBFOBUSEULT-YLJYHZDGSA-N 2 1 363.505 3.587 20 0 FHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000662524246 947887429 /nfs/dbraw/zinc/88/74/29/947887429.db2.gz JGVBFPWRAJRJRK-SFHVURJKSA-N 2 1 370.522 3.692 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662524522 947888363 /nfs/dbraw/zinc/88/83/63/947888363.db2.gz XRSVNLBAGWLEGY-GUYCJALGSA-N 2 1 374.356 3.881 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000165321464 947890742 /nfs/dbraw/zinc/89/07/42/947890742.db2.gz CIKNKKMBIKVCEM-ZTEVPRNISA-N 2 1 370.562 3.639 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662526929 947896394 /nfs/dbraw/zinc/89/63/94/947896394.db2.gz NKDXBQRTCOLNNL-JWWGGVBKSA-N 2 1 369.553 3.543 20 0 FHADMP C[NH2+][C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662673225 947969649 /nfs/dbraw/zinc/96/96/49/947969649.db2.gz JPRCNBUEERPERC-KRWDZBQOSA-N 2 1 372.340 3.585 20 0 FHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466059 948051012 /nfs/dbraw/zinc/05/10/12/948051012.db2.gz NQWFBOVJOUHWDT-HIFRSBDPSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466059 948051015 /nfs/dbraw/zinc/05/10/15/948051015.db2.gz NQWFBOVJOUHWDT-HIFRSBDPSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466059 948051022 /nfs/dbraw/zinc/05/10/22/948051022.db2.gz NQWFBOVJOUHWDT-HIFRSBDPSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467079 948056556 /nfs/dbraw/zinc/05/65/56/948056556.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467079 948056564 /nfs/dbraw/zinc/05/65/64/948056564.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467079 948056572 /nfs/dbraw/zinc/05/65/72/948056572.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467079 948056579 /nfs/dbraw/zinc/05/65/79/948056579.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467079 948056583 /nfs/dbraw/zinc/05/65/83/948056583.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467079 948056588 /nfs/dbraw/zinc/05/65/88/948056588.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467079 948056594 /nfs/dbraw/zinc/05/65/94/948056594.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467079 948056599 /nfs/dbraw/zinc/05/65/99/948056599.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467079 948056603 /nfs/dbraw/zinc/05/66/03/948056603.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466997 948056824 /nfs/dbraw/zinc/05/68/24/948056824.db2.gz YNUKVLUBZUIUTE-IEBWSBKVSA-N 2 1 352.526 3.860 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466997 948056827 /nfs/dbraw/zinc/05/68/27/948056827.db2.gz YNUKVLUBZUIUTE-IEBWSBKVSA-N 2 1 352.526 3.860 20 0 FHADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469988 948064728 /nfs/dbraw/zinc/06/47/28/948064728.db2.gz SHRMIZYBLLLXHO-HOCLYGCPSA-N 2 1 350.478 3.616 20 0 FHADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469988 948064740 /nfs/dbraw/zinc/06/47/40/948064740.db2.gz SHRMIZYBLLLXHO-HOCLYGCPSA-N 2 1 350.478 3.616 20 0 FHADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471774 948068117 /nfs/dbraw/zinc/06/81/17/948068117.db2.gz XXZJKDNCHZKKAI-NVXWUHKLSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471774 948068126 /nfs/dbraw/zinc/06/81/26/948068126.db2.gz XXZJKDNCHZKKAI-NVXWUHKLSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471774 948068136 /nfs/dbraw/zinc/06/81/36/948068136.db2.gz XXZJKDNCHZKKAI-NVXWUHKLSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)c2cccc(Br)c21 ZINC000925780779 948095537 /nfs/dbraw/zinc/09/55/37/948095537.db2.gz GPRLMSLVZVUILU-GYSYKLTISA-N 2 1 359.258 3.832 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001167827629 948156641 /nfs/dbraw/zinc/15/66/41/948156641.db2.gz UIZQFWYOMMOBRX-CEMLEFRQSA-N 2 1 366.590 3.652 20 0 FHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001933 948170319 /nfs/dbraw/zinc/17/03/19/948170319.db2.gz AJUDCKLPEYBREQ-HNYYDBCASA-N 2 1 370.537 3.846 20 0 FHADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001933 948170324 /nfs/dbraw/zinc/17/03/24/948170324.db2.gz AJUDCKLPEYBREQ-HNYYDBCASA-N 2 1 370.537 3.846 20 0 FHADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001933 948170330 /nfs/dbraw/zinc/17/03/30/948170330.db2.gz AJUDCKLPEYBREQ-HNYYDBCASA-N 2 1 370.537 3.846 20 0 FHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512008046 948174692 /nfs/dbraw/zinc/17/46/92/948174692.db2.gz LJTAJXJAQRHFNC-WMZOPIPTSA-N 2 1 366.431 3.854 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001167833407 948223375 /nfs/dbraw/zinc/22/33/75/948223375.db2.gz AWRQXPLEOAFPAT-VJANTYMQSA-N 2 1 367.578 3.732 20 0 FHADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647990307 948226301 /nfs/dbraw/zinc/22/63/01/948226301.db2.gz ODVXTFSSRWRNST-GOSISDBHSA-N 2 1 356.432 3.859 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000473210495 948285729 /nfs/dbraw/zinc/28/57/29/948285729.db2.gz VACTWXZPDUVELO-JBACZVJFSA-N 2 1 359.558 3.665 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001167835697 948297737 /nfs/dbraw/zinc/29/77/37/948297737.db2.gz SXEVVAGPZNTFSM-TZIWHRDSSA-N 2 1 360.542 3.952 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001167836763 948307842 /nfs/dbraw/zinc/30/78/42/948307842.db2.gz GUVAMEDDRGKKRW-RXVVDRJESA-N 2 1 373.585 3.839 20 0 FHADMP C[C@@H]([NH2+]C1(CNCc2ncc(C[NH+](C)C)s2)CCCC1)c1ccccc1 ZINC000512053355 948318744 /nfs/dbraw/zinc/31/87/44/948318744.db2.gz QNRLAYATJNZZBY-QGZVFWFLSA-N 2 1 372.582 3.958 20 0 FHADMP Cc1cc(N2CCC([NH2+]C/C=C/c3ccc(F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000512053201 948319944 /nfs/dbraw/zinc/31/99/44/948319944.db2.gz PIUZHGYSCBZEAX-ONEGZZNKSA-N 2 1 358.436 3.643 20 0 FHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H](C)CCC[NH+](CC)CC ZINC001167839839 948322845 /nfs/dbraw/zinc/32/28/45/948322845.db2.gz CDLFKNCJAOBKGU-OALUTQOASA-N 2 1 358.567 3.567 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405035 948348435 /nfs/dbraw/zinc/34/84/35/948348435.db2.gz GNGNXRCYINJQOV-CABCVRRESA-N 2 1 360.420 3.737 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167841119 948353967 /nfs/dbraw/zinc/35/39/67/948353967.db2.gz KIWCVMVEJTZWSC-MRXNPFEDSA-N 2 1 353.551 3.581 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416406 948368932 /nfs/dbraw/zinc/36/89/32/948368932.db2.gz GVUNXZCLVIZWML-KBPBESRZSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416406 948368938 /nfs/dbraw/zinc/36/89/38/948368938.db2.gz GVUNXZCLVIZWML-KBPBESRZSA-N 2 1 373.310 3.740 20 0 FHADMP CCC[N@H+](C[C@H]1CCO[C@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784761 948380904 /nfs/dbraw/zinc/38/09/04/948380904.db2.gz SWRIKLVKNBXPJF-PZJWPPBQSA-N 2 1 374.573 3.979 20 0 FHADMP CCC[N@@H+](C[C@H]1CCO[C@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784761 948380913 /nfs/dbraw/zinc/38/09/13/948380913.db2.gz SWRIKLVKNBXPJF-PZJWPPBQSA-N 2 1 374.573 3.979 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000473212614 948403407 /nfs/dbraw/zinc/40/34/07/948403407.db2.gz HSQHWSKFDMWLTP-UYAOXDASSA-N 2 1 351.579 3.656 20 0 FHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512097386 948414106 /nfs/dbraw/zinc/41/41/06/948414106.db2.gz DILUBVOJHRSWQN-LBPRGKRZSA-N 2 1 357.445 3.944 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000279055853 948438757 /nfs/dbraw/zinc/43/87/57/948438757.db2.gz YKVJXJWLRXHVJP-OLZOCXBDSA-N 2 1 364.287 3.567 20 0 FHADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520667045 948534947 /nfs/dbraw/zinc/53/49/47/948534947.db2.gz ZXKPPPPTGJXXMC-IBGZPJMESA-N 2 1 365.512 3.608 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000521426926 568009833 /nfs/dbraw/zinc/00/98/33/568009833.db2.gz UPMYQXMLHBNRSU-VTHDOGFWSA-N 2 1 374.569 3.637 20 0 FHADMP COc1ccc(COCCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711641 568137926 /nfs/dbraw/zinc/13/79/26/568137926.db2.gz DNZUUIOWOULHJD-PZJWPPBQSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711641 568137927 /nfs/dbraw/zinc/13/79/27/568137927.db2.gz DNZUUIOWOULHJD-PZJWPPBQSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711641 568137928 /nfs/dbraw/zinc/13/79/28/568137928.db2.gz DNZUUIOWOULHJD-PZJWPPBQSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711641 568137929 /nfs/dbraw/zinc/13/79/29/568137929.db2.gz DNZUUIOWOULHJD-PZJWPPBQSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711641 568137930 /nfs/dbraw/zinc/13/79/30/568137930.db2.gz DNZUUIOWOULHJD-PZJWPPBQSA-N 2 1 360.542 3.798 20 0 FHADMP C[C@H](CC[N@H+]1CCC[C@@]2(CCCOC2)C1)[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334257 /nfs/dbraw/zinc/33/42/57/568334257.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@@]2(CCCOC2)C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334258 /nfs/dbraw/zinc/33/42/58/568334258.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@@]2(CCCOC2)C1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334259 /nfs/dbraw/zinc/33/42/59/568334259.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000604774159 568363859 /nfs/dbraw/zinc/36/38/59/568363859.db2.gz AVGGQNLBDLMKCO-BBRMVZONSA-N 2 1 373.463 3.988 20 0 FHADMP Cc1c[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1C ZINC001164706345 719899224 /nfs/dbraw/zinc/89/92/24/719899224.db2.gz IESFRXNGJHSYEG-UHFFFAOYSA-N 2 1 357.523 3.631 20 0 FHADMP Cc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841886 720654502 /nfs/dbraw/zinc/65/45/02/720654502.db2.gz QWDDPKGLJFTTRJ-FQEVSTJZSA-N 2 1 351.494 3.650 20 0 FHADMP Cc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841886 720654522 /nfs/dbraw/zinc/65/45/22/720654522.db2.gz QWDDPKGLJFTTRJ-FQEVSTJZSA-N 2 1 351.494 3.650 20 0 FHADMP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027676 721800696 /nfs/dbraw/zinc/80/06/96/721800696.db2.gz XGACAQNEJTUVTF-JBACZVJFSA-N 2 1 350.510 3.830 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]21 ZINC001165026578 721802040 /nfs/dbraw/zinc/80/20/40/721802040.db2.gz RHLZPJDUZKBEGD-LDQXTDLNSA-N 2 1 361.493 3.695 20 0 FHADMP CN(C)c1cc[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164992736 722199124 /nfs/dbraw/zinc/19/91/24/722199124.db2.gz AVRSPTSNJHVYKQ-NRFANRHFSA-N 2 1 354.473 3.532 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000511769827 945065686 /nfs/dbraw/zinc/06/56/86/945065686.db2.gz IDDIOQDDMVLMSE-FUHWJXTLSA-N 2 1 362.468 3.539 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000317149788 927160477 /nfs/dbraw/zinc/16/04/77/927160477.db2.gz GBHVWEZEDGGBEL-ZOBUZTSGSA-N 2 1 365.315 3.879 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317149788 927160485 /nfs/dbraw/zinc/16/04/85/927160485.db2.gz GBHVWEZEDGGBEL-ZOBUZTSGSA-N 2 1 365.315 3.879 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000153573314 927572015 /nfs/dbraw/zinc/57/20/15/927572015.db2.gz SFPSOQOQSGLQHJ-QZTJIDSGSA-N 2 1 354.542 3.884 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000153573205 927572581 /nfs/dbraw/zinc/57/25/81/927572581.db2.gz SFPSOQOQSGLQHJ-ROUUACIJSA-N 2 1 354.542 3.884 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)c(OC)s2)C[C@H]1C ZINC000538738555 927852748 /nfs/dbraw/zinc/85/27/48/927852748.db2.gz CQEAJFIHXBXIAS-VXGBXAGGSA-N 2 1 361.349 3.824 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274761665 928105667 /nfs/dbraw/zinc/10/56/67/928105667.db2.gz KCPOBVCXNPGGJQ-DNVCBOLYSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274761665 928105671 /nfs/dbraw/zinc/10/56/71/928105671.db2.gz KCPOBVCXNPGGJQ-DNVCBOLYSA-N 2 1 359.901 3.543 20 0 FHADMP COC(=O)c1cc2cc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)ccc2o1 ZINC000610213145 928119742 /nfs/dbraw/zinc/11/97/42/928119742.db2.gz XQLJQJKUFZRASR-UHFFFAOYSA-N 2 1 358.482 3.772 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000472282210 937222922 /nfs/dbraw/zinc/22/29/22/937222922.db2.gz VOUXZQLBEIVTJZ-QGZVFWFLSA-N 2 1 363.527 3.644 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000472282210 937222924 /nfs/dbraw/zinc/22/29/24/937222924.db2.gz VOUXZQLBEIVTJZ-QGZVFWFLSA-N 2 1 363.527 3.644 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170468 928458478 /nfs/dbraw/zinc/45/84/78/928458478.db2.gz FGJBNJGFXOAVHK-CJNGLKHVSA-N 2 1 370.324 3.786 20 0 FHADMP CC[N@@H+](Cc1c[nH]c2cccc(Br)c12)C1CCN(C)CC1 ZINC001139966785 928649320 /nfs/dbraw/zinc/64/93/20/928649320.db2.gz FGGAVACBSMNUBR-UHFFFAOYSA-N 2 1 350.304 3.847 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000154468459 928845215 /nfs/dbraw/zinc/84/52/15/928845215.db2.gz UISYQZABPLNZES-MRXNPFEDSA-N 2 1 368.363 3.517 20 0 FHADMP Cc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515922 929535611 /nfs/dbraw/zinc/53/56/11/929535611.db2.gz LNAKJGDOIJVALJ-PKTZIBPZSA-N 2 1 352.522 3.911 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752241 937350397 /nfs/dbraw/zinc/35/03/97/937350397.db2.gz OCDMLDMINZTRRE-NKAIQICCSA-N 2 1 368.443 3.952 20 0 FHADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691587 929809082 /nfs/dbraw/zinc/80/90/82/929809082.db2.gz ZMSOIZSJBMVYPS-QXUYBEEESA-N 2 1 350.506 3.814 20 0 FHADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691587 929809085 /nfs/dbraw/zinc/80/90/85/929809085.db2.gz ZMSOIZSJBMVYPS-QXUYBEEESA-N 2 1 350.506 3.814 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151958766 930050695 /nfs/dbraw/zinc/05/06/95/930050695.db2.gz DSQQRGQLEUACHY-RBUKOAKNSA-N 2 1 361.549 3.543 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160387185 930279312 /nfs/dbraw/zinc/27/93/12/930279312.db2.gz GVIBGRFGAZUVMN-YOEHRIQHSA-N 2 1 366.937 3.552 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379649126 930496346 /nfs/dbraw/zinc/49/63/46/930496346.db2.gz NZMFEPOSQHINBO-GHOZHQTGSA-N 2 1 358.526 3.751 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379649126 930496349 /nfs/dbraw/zinc/49/63/49/930496349.db2.gz NZMFEPOSQHINBO-GHOZHQTGSA-N 2 1 358.526 3.751 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000580363930 930574305 /nfs/dbraw/zinc/57/43/05/930574305.db2.gz UOAXOMAQXAGCOQ-UHFFFAOYSA-N 2 1 369.488 3.742 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000580363930 930574310 /nfs/dbraw/zinc/57/43/10/930574310.db2.gz UOAXOMAQXAGCOQ-UHFFFAOYSA-N 2 1 369.488 3.742 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000125180165 930584372 /nfs/dbraw/zinc/58/43/72/930584372.db2.gz KXLZVEXWRPMSHG-VSKRKVRLSA-N 2 1 354.538 3.631 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000125179781 930584438 /nfs/dbraw/zinc/58/44/38/930584438.db2.gz KXLZVEXWRPMSHG-BDTNDASRSA-N 2 1 354.538 3.631 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600964703 937426632 /nfs/dbraw/zinc/42/66/32/937426632.db2.gz URNNWFGMIPSXJY-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000600964703 937426636 /nfs/dbraw/zinc/42/66/36/937426636.db2.gz URNNWFGMIPSXJY-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000600964703 937426639 /nfs/dbraw/zinc/42/66/39/937426639.db2.gz URNNWFGMIPSXJY-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040121 930631782 /nfs/dbraw/zinc/63/17/82/930631782.db2.gz RMAOZGFBKZCLPP-HUVFLSCGSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040121 930631784 /nfs/dbraw/zinc/63/17/84/930631784.db2.gz RMAOZGFBKZCLPP-HUVFLSCGSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398040121 930631790 /nfs/dbraw/zinc/63/17/90/930631790.db2.gz RMAOZGFBKZCLPP-HUVFLSCGSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398040121 930631796 /nfs/dbraw/zinc/63/17/96/930631796.db2.gz RMAOZGFBKZCLPP-HUVFLSCGSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156350995 937434006 /nfs/dbraw/zinc/43/40/06/937434006.db2.gz WQMOBARTHVILSG-LMNJBCLMSA-N 2 1 355.526 3.580 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000557040087 930687406 /nfs/dbraw/zinc/68/74/06/930687406.db2.gz XPSBHHFZWYNFGX-APWZRJJASA-N 2 1 372.538 3.672 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580499072 930758987 /nfs/dbraw/zinc/75/89/87/930758987.db2.gz MRFKJLUSJPAYLN-QFIPXVFZSA-N 3 1 357.586 3.808 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580499072 930758994 /nfs/dbraw/zinc/75/89/94/930758994.db2.gz MRFKJLUSJPAYLN-QFIPXVFZSA-N 3 1 357.586 3.808 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580499072 930759001 /nfs/dbraw/zinc/75/90/01/930759001.db2.gz MRFKJLUSJPAYLN-QFIPXVFZSA-N 3 1 357.586 3.808 20 0 FHADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580499072 930759017 /nfs/dbraw/zinc/75/90/17/930759017.db2.gz MRFKJLUSJPAYLN-QFIPXVFZSA-N 2 1 357.586 3.808 20 0 FHADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580499072 930759022 /nfs/dbraw/zinc/75/90/22/930759022.db2.gz MRFKJLUSJPAYLN-QFIPXVFZSA-N 2 1 357.586 3.808 20 0 FHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000564601854 930822680 /nfs/dbraw/zinc/82/26/80/930822680.db2.gz YOOFDTQALAHIKH-XPWALMASSA-N 3 1 355.570 3.609 20 0 FHADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC001167429258 930998120 /nfs/dbraw/zinc/99/81/20/930998120.db2.gz IBGJQADUAQZKDZ-SFHVURJKSA-N 2 1 352.526 3.609 20 0 FHADMP CN(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC001167429258 930998128 /nfs/dbraw/zinc/99/81/28/930998128.db2.gz IBGJQADUAQZKDZ-SFHVURJKSA-N 2 1 352.526 3.609 20 0 FHADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)n2c1CCCC2 ZINC000684026900 931009342 /nfs/dbraw/zinc/00/93/42/931009342.db2.gz YBYOLIGEQDRUJJ-SFHVURJKSA-N 2 1 351.494 3.965 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126836632 931244108 /nfs/dbraw/zinc/24/41/08/931244108.db2.gz IZSNNROYRDLANF-UXHICEINSA-N 2 1 358.551 3.807 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126836632 931244116 /nfs/dbraw/zinc/24/41/16/931244116.db2.gz IZSNNROYRDLANF-UXHICEINSA-N 2 1 358.551 3.807 20 0 FHADMP c1ccc(C[C@H]2CC[N@@H+]2C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326319 /nfs/dbraw/zinc/32/63/19/931326319.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@H]2CCN2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326329 /nfs/dbraw/zinc/32/63/29/931326329.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@H]2CCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326336 /nfs/dbraw/zinc/32/63/36/931326336.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 1 350.506 3.595 20 0 FHADMP COCCOc1cccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000580919079 931344130 /nfs/dbraw/zinc/34/41/30/931344130.db2.gz OAXIRDLYXMEXDX-UHFFFAOYSA-N 2 1 368.521 3.808 20 0 FHADMP COCCOc1cccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000580919079 931344136 /nfs/dbraw/zinc/34/41/36/931344136.db2.gz OAXIRDLYXMEXDX-UHFFFAOYSA-N 2 1 368.521 3.808 20 0 FHADMP CO[C@H]1CCC[NH+](CC(C[N@@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582238 931567675 /nfs/dbraw/zinc/56/76/75/931567675.db2.gz FOYGYUDYXIWKPS-GOTSBHOMSA-N 2 1 374.569 3.772 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC2CCOCC2)cc1 ZINC000656405107 931592833 /nfs/dbraw/zinc/59/28/33/931592833.db2.gz HVLYXXDRNISQBD-BJESRGMDSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC2CCOCC2)cc1 ZINC000656405107 931592840 /nfs/dbraw/zinc/59/28/40/931592840.db2.gz HVLYXXDRNISQBD-BJESRGMDSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC2CCOCC2)cc1 ZINC000656405107 931592845 /nfs/dbraw/zinc/59/28/45/931592845.db2.gz HVLYXXDRNISQBD-BJESRGMDSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405101 931593056 /nfs/dbraw/zinc/59/30/56/931593056.db2.gz HVKVWXLCBCZXQI-HPAIXVDQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405101 931593062 /nfs/dbraw/zinc/59/30/62/931593062.db2.gz HVKVWXLCBCZXQI-HPAIXVDQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405101 931593067 /nfs/dbraw/zinc/59/30/67/931593067.db2.gz HVKVWXLCBCZXQI-HPAIXVDQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@@H]2CCCCO2)cc1 ZINC000656405101 931593069 /nfs/dbraw/zinc/59/30/69/931593069.db2.gz HVKVWXLCBCZXQI-HPAIXVDQSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC[C@H]2CCOC2)cc1 ZINC000656405637 931602628 /nfs/dbraw/zinc/60/26/28/931602628.db2.gz JZLCAIPOVXODAE-HPAIXVDQSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@H]2CCOC2)cc1 ZINC000656405637 931602630 /nfs/dbraw/zinc/60/26/30/931602630.db2.gz JZLCAIPOVXODAE-HPAIXVDQSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@H]2CCOC2)cc1 ZINC000656405637 931602633 /nfs/dbraw/zinc/60/26/33/931602633.db2.gz JZLCAIPOVXODAE-HPAIXVDQSA-N 2 1 354.538 3.646 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581255465 931743485 /nfs/dbraw/zinc/74/34/85/931743485.db2.gz IOWMMLIQECQZOG-IRXDYDNUSA-N 2 1 365.587 3.504 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581458113 932090582 /nfs/dbraw/zinc/09/05/82/932090582.db2.gz BUFMTWWHFJHMHJ-FPOVZHCZSA-N 2 1 352.526 3.689 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430616976 932305694 /nfs/dbraw/zinc/30/56/94/932305694.db2.gz IZEFLUGCLAZLPN-MRXNPFEDSA-N 2 1 369.534 3.836 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621868 932356860 /nfs/dbraw/zinc/35/68/60/932356860.db2.gz KSNWIHVQVYBVLF-DYESRHJHSA-N 2 1 351.494 3.884 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621868 932356867 /nfs/dbraw/zinc/35/68/67/932356867.db2.gz KSNWIHVQVYBVLF-DYESRHJHSA-N 2 1 351.494 3.884 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656785567 932420518 /nfs/dbraw/zinc/42/05/18/932420518.db2.gz MGIOKCTXJNNMAB-INIZCTEOSA-N 2 1 368.468 3.898 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCCC1 ZINC000656789620 932426645 /nfs/dbraw/zinc/42/66/45/932426645.db2.gz SVRQWZFLANMOKG-UHFFFAOYSA-N 2 1 366.328 3.934 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(Br)ccc2O)C1 ZINC000155274678 932577219 /nfs/dbraw/zinc/57/72/19/932577219.db2.gz WGAJTSKVTOBJKF-CJNGLKHVSA-N 2 1 355.320 3.927 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000581840376 932718180 /nfs/dbraw/zinc/71/81/80/932718180.db2.gz GPIYAYOTNPANGS-LPHOPBHVSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000581840376 932718187 /nfs/dbraw/zinc/71/81/87/932718187.db2.gz GPIYAYOTNPANGS-LPHOPBHVSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000581840376 932718192 /nfs/dbraw/zinc/71/81/92/932718192.db2.gz GPIYAYOTNPANGS-LPHOPBHVSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000581840376 932718196 /nfs/dbraw/zinc/71/81/96/932718196.db2.gz GPIYAYOTNPANGS-LPHOPBHVSA-N 2 1 354.523 3.654 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000647184410 932738862 /nfs/dbraw/zinc/73/88/62/932738862.db2.gz FGBGXQWYIHSMIA-KCMWZYNZSA-N 2 1 356.432 3.855 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000647184410 932738870 /nfs/dbraw/zinc/73/88/70/932738870.db2.gz FGBGXQWYIHSMIA-KCMWZYNZSA-N 2 1 356.432 3.855 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOCC3CCOCC3)CC23CC3)cc1 ZINC000647185935 932760093 /nfs/dbraw/zinc/76/00/93/932760093.db2.gz XHZMHDWUTHFBCQ-QFIPXVFZSA-N 2 1 372.553 3.607 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOCC3CCOCC3)CC23CC3)cc1 ZINC000647185935 932760097 /nfs/dbraw/zinc/76/00/97/932760097.db2.gz XHZMHDWUTHFBCQ-QFIPXVFZSA-N 2 1 372.553 3.607 20 0 FHADMP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835801 933087682 /nfs/dbraw/zinc/08/76/82/933087682.db2.gz QKWHZQKRNFHUKH-UNMCSNQZSA-N 2 1 365.521 3.606 20 0 FHADMP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835801 933087686 /nfs/dbraw/zinc/08/76/86/933087686.db2.gz QKWHZQKRNFHUKH-UNMCSNQZSA-N 2 1 365.521 3.606 20 0 FHADMP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OC(F)F ZINC000131789063 933170576 /nfs/dbraw/zinc/17/05/76/933170576.db2.gz ILKKUBGMNHBQFX-MQVJKMGUSA-N 2 1 354.441 3.792 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000510531697 933192720 /nfs/dbraw/zinc/19/27/20/933192720.db2.gz CLUKNOTUEAAINY-HNNXBMFYSA-N 2 1 355.873 3.937 20 0 FHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751808 933202958 /nfs/dbraw/zinc/20/29/58/933202958.db2.gz CDPUUXDFPFRVJR-GDLHICMESA-N 2 1 355.295 3.764 20 0 FHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751808 933202964 /nfs/dbraw/zinc/20/29/64/933202964.db2.gz CDPUUXDFPFRVJR-GDLHICMESA-N 2 1 355.295 3.764 20 0 FHADMP c1ccc(CSCC[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000430774691 933225858 /nfs/dbraw/zinc/22/58/58/933225858.db2.gz DNCOWLVCUQRUMX-JOCHJYFZSA-N 2 1 370.562 3.801 20 0 FHADMP c1ccc(CSCC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000430774691 933225861 /nfs/dbraw/zinc/22/58/61/933225861.db2.gz DNCOWLVCUQRUMX-JOCHJYFZSA-N 2 1 370.562 3.801 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000510696217 933435775 /nfs/dbraw/zinc/43/57/75/933435775.db2.gz QQXANDJDSHVCAF-HTAPYJJXSA-N 2 1 374.475 3.513 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000510696217 933435778 /nfs/dbraw/zinc/43/57/78/933435778.db2.gz QQXANDJDSHVCAF-HTAPYJJXSA-N 2 1 374.475 3.513 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000510754398 933635362 /nfs/dbraw/zinc/63/53/62/933635362.db2.gz QBGGAJZVWKAUKA-KRWDZBQOSA-N 2 1 374.475 3.908 20 0 FHADMP CCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431034026 933716745 /nfs/dbraw/zinc/71/67/45/933716745.db2.gz MAFAUXFOIGPJEO-YVNJGZBMSA-N 2 1 371.569 3.696 20 0 FHADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000431076053 933804137 /nfs/dbraw/zinc/80/41/37/933804137.db2.gz IBDPUNGFJBHBTL-HZPDHXFCSA-N 2 1 364.534 3.603 20 0 FHADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000431076053 933804143 /nfs/dbraw/zinc/80/41/43/933804143.db2.gz IBDPUNGFJBHBTL-HZPDHXFCSA-N 2 1 364.534 3.603 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000684556623 933881097 /nfs/dbraw/zinc/88/10/97/933881097.db2.gz BSJOJFAQEZFXGZ-CZAYHTPWSA-N 2 1 364.537 3.688 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000548449486 933895776 /nfs/dbraw/zinc/89/57/76/933895776.db2.gz JMENDGFONIYMKI-ROUUACIJSA-N 2 1 359.558 3.844 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003249 934159572 /nfs/dbraw/zinc/15/95/72/934159572.db2.gz CDBPNZGRKYGHMB-IOMROCGXSA-N 2 1 366.505 3.930 20 0 FHADMP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548486845 934161796 /nfs/dbraw/zinc/16/17/96/934161796.db2.gz MZCKYFAPZYPKRL-QUCCMNQESA-N 2 1 362.521 3.616 20 0 FHADMP Cc1ncsc1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535674452 934267423 /nfs/dbraw/zinc/26/74/23/934267423.db2.gz FAAFMPIHPYMXNX-UHFFFAOYSA-N 2 1 355.551 3.982 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1)C1CC[NH+](C)CC1 ZINC000535780875 934370458 /nfs/dbraw/zinc/37/04/58/934370458.db2.gz YFLULBMVQWTFNE-HSZRJFAPSA-N 2 1 364.537 3.949 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808838 934416904 /nfs/dbraw/zinc/41/69/04/934416904.db2.gz ZFLYQJIFAVJHSB-HYVNUMGLSA-N 2 1 363.552 3.555 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808838 934416909 /nfs/dbraw/zinc/41/69/09/934416909.db2.gz ZFLYQJIFAVJHSB-HYVNUMGLSA-N 2 1 363.552 3.555 20 0 FHADMP O=C(c1cc2c[nH]ccc-2n1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000934011047 934424365 /nfs/dbraw/zinc/42/43/65/934424365.db2.gz IRPKIWXAEGXLDX-HSZRJFAPSA-N 2 1 374.488 3.691 20 0 FHADMP CCN(CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500863 934819432 /nfs/dbraw/zinc/81/94/32/934819432.db2.gz XCIRSRIEYFWNSP-LJQANCHMSA-N 2 1 371.491 3.715 20 0 FHADMP CCN(CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500863 934819436 /nfs/dbraw/zinc/81/94/36/934819436.db2.gz XCIRSRIEYFWNSP-LJQANCHMSA-N 2 1 371.491 3.715 20 0 FHADMP CCN(CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500863 934819440 /nfs/dbraw/zinc/81/94/40/934819440.db2.gz XCIRSRIEYFWNSP-LJQANCHMSA-N 2 1 371.491 3.715 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OCC(F)(F)F ZINC000101591876 934843726 /nfs/dbraw/zinc/84/37/26/934843726.db2.gz MODNSPSXQAFNJF-HNNXBMFYSA-N 2 1 372.431 3.600 20 0 FHADMP Cc1cc(N2CCC([NH2+]Cc3cc4c(ccc(C)c4C)[nH]3)CC2)nc(C)[nH+]1 ZINC000472042312 934879625 /nfs/dbraw/zinc/87/96/25/934879625.db2.gz QEFBMHGPBXODOW-UHFFFAOYSA-N 2 1 363.509 3.950 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(Br)c1 ZINC000511033933 934983836 /nfs/dbraw/zinc/98/38/36/934983836.db2.gz BXFBAIOYHGZKRW-LBPRGKRZSA-N 2 1 352.276 3.704 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657313134 935116615 /nfs/dbraw/zinc/11/66/15/935116615.db2.gz FXUOTGJFNKEMCM-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000375662005 935132382 /nfs/dbraw/zinc/13/23/82/935132382.db2.gz WYJDZGIWDTULQS-FUHWJXTLSA-N 2 1 364.415 3.608 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000375662005 935132384 /nfs/dbraw/zinc/13/23/84/935132384.db2.gz WYJDZGIWDTULQS-FUHWJXTLSA-N 2 1 364.415 3.608 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000438826346 945083827 /nfs/dbraw/zinc/08/38/27/945083827.db2.gz MONPHDLYWLRHIY-ATKRNPRHSA-N 2 1 364.537 3.693 20 0 FHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000563245639 935249806 /nfs/dbraw/zinc/24/98/06/935249806.db2.gz VQEAWCLNCUWIJS-CTNGQTDRSA-N 2 1 354.494 3.671 20 0 FHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000563245639 935249809 /nfs/dbraw/zinc/24/98/09/935249809.db2.gz VQEAWCLNCUWIJS-CTNGQTDRSA-N 2 1 354.494 3.671 20 0 FHADMP Cc1ccc2cc(C[NH2+][C@@H](CN3CC[NH+](C)CC3)c3ccccc3)[nH]c2c1 ZINC000657344972 935297048 /nfs/dbraw/zinc/29/70/48/935297048.db2.gz FLBUPRMVZMKVDG-QHCPKHFHSA-N 2 1 362.521 3.555 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000582181851 935382341 /nfs/dbraw/zinc/38/23/41/935382341.db2.gz VRSKDZDIAGIAAK-PLWAMTLXSA-N 2 1 363.505 3.740 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)o1 ZINC000684797877 935415129 /nfs/dbraw/zinc/41/51/29/935415129.db2.gz OMGLMAIVRVEJTL-GOSISDBHSA-N 2 1 361.530 3.648 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374657 935453598 /nfs/dbraw/zinc/45/35/98/935453598.db2.gz PHLIDWBEIBGKJH-BLLLJJGKSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374657 935453601 /nfs/dbraw/zinc/45/36/01/935453601.db2.gz PHLIDWBEIBGKJH-BLLLJJGKSA-N 2 1 372.460 3.673 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233732 935459961 /nfs/dbraw/zinc/45/99/61/935459961.db2.gz JFYBEUWETDUQSY-HLAWJBBLSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233732 935459963 /nfs/dbraw/zinc/45/99/63/935459963.db2.gz JFYBEUWETDUQSY-HLAWJBBLSA-N 2 1 367.493 3.557 20 0 FHADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000548716545 935463283 /nfs/dbraw/zinc/46/32/83/935463283.db2.gz FJPBVSLVNXYJPU-UHFFFAOYSA-N 2 1 371.569 3.764 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548716360 935463310 /nfs/dbraw/zinc/46/33/10/935463310.db2.gz FBMDJFMMOPYCAT-RTBURBONSA-N 2 1 351.579 3.515 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000582268320 935470299 /nfs/dbraw/zinc/47/02/99/935470299.db2.gz IULFWUVCBUXFOZ-KRWDZBQOSA-N 2 1 366.933 3.911 20 0 FHADMP O[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300967 935500264 /nfs/dbraw/zinc/50/02/64/935500264.db2.gz MOMWHOWIXBZIGV-FCHUYYIVSA-N 2 1 368.496 3.516 20 0 FHADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300967 935500268 /nfs/dbraw/zinc/50/02/68/935500268.db2.gz MOMWHOWIXBZIGV-FCHUYYIVSA-N 2 1 368.496 3.516 20 0 FHADMP CCCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1OC ZINC000647248537 935546969 /nfs/dbraw/zinc/54/69/69/935546969.db2.gz HGVUHISBGDXYRB-RTWAWAEBSA-N 2 1 368.521 3.919 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1)C1CC1 ZINC000511110517 935623322 /nfs/dbraw/zinc/62/33/22/935623322.db2.gz UTVZWLGLYKCDRJ-UHFFFAOYSA-N 2 1 365.521 3.663 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[N@@H+]1CCc2ccccc2C1 ZINC000684850198 935625711 /nfs/dbraw/zinc/62/57/11/935625711.db2.gz NRFBXBVFJFQAQC-KRWDZBQOSA-N 2 1 372.472 3.632 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[N@H+]1CCc2ccccc2C1 ZINC000684850198 935625715 /nfs/dbraw/zinc/62/57/15/935625715.db2.gz NRFBXBVFJFQAQC-KRWDZBQOSA-N 2 1 372.472 3.632 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000582410637 935664536 /nfs/dbraw/zinc/66/45/36/935664536.db2.gz MXYJZANBMPKUIE-JKSUJKDBSA-N 2 1 369.509 3.605 20 0 FHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)C1 ZINC000582413944 935668125 /nfs/dbraw/zinc/66/81/25/935668125.db2.gz NEEJGRRUZMTNNA-HXUWFJFHSA-N 2 1 369.553 3.586 20 0 FHADMP CCC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582429030 935689080 /nfs/dbraw/zinc/68/90/80/935689080.db2.gz HWKVJDYMLCAFLJ-NQIIRXRSSA-N 2 1 363.590 3.610 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000657431339 935715567 /nfs/dbraw/zinc/71/55/67/935715567.db2.gz ZWKMHSZZRSROPC-NLWGTHIKSA-N 2 1 360.542 3.843 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127132 945118548 /nfs/dbraw/zinc/11/85/48/945118548.db2.gz CTTBPJZGBHBEQO-YLJYHZDGSA-N 2 1 352.478 3.555 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127132 945118552 /nfs/dbraw/zinc/11/85/52/945118552.db2.gz CTTBPJZGBHBEQO-YLJYHZDGSA-N 2 1 352.478 3.555 20 0 FHADMP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(CC2CC2)n1 ZINC000657433253 935723123 /nfs/dbraw/zinc/72/31/23/935723123.db2.gz YWTTYFOCGOTFCO-PMVMPFDFSA-N 2 1 364.537 3.683 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000075007936 936003073 /nfs/dbraw/zinc/00/30/73/936003073.db2.gz RRIGLSPBRKQKOJ-QGZVFWFLSA-N 2 1 372.513 3.620 20 0 FHADMP Cc1cc2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc2cc1C ZINC000657594647 936074951 /nfs/dbraw/zinc/07/49/51/936074951.db2.gz JSFAYCDMMOQKBL-NRFANRHFSA-N 2 1 364.489 3.906 20 0 FHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596232 936076197 /nfs/dbraw/zinc/07/61/97/936076197.db2.gz MPWLQCDJIDHQBM-IIBYNOLFSA-N 2 1 358.913 3.627 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)C1 ZINC000657595553 936077120 /nfs/dbraw/zinc/07/71/20/936077120.db2.gz QSVGPFRHSQMEOT-LJQANCHMSA-N 2 1 352.503 3.758 20 0 FHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000657596977 936079644 /nfs/dbraw/zinc/07/96/44/936079644.db2.gz PWJSMBCKDXJYTR-QGZVFWFLSA-N 2 1 362.876 3.644 20 0 FHADMP Cc1cc(F)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000657596977 936079650 /nfs/dbraw/zinc/07/96/50/936079650.db2.gz PWJSMBCKDXJYTR-QGZVFWFLSA-N 2 1 362.876 3.644 20 0 FHADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC000647263146 936192544 /nfs/dbraw/zinc/19/25/44/936192544.db2.gz PWQMERBLJPEKJN-FPOVZHCZSA-N 2 1 362.521 3.828 20 0 FHADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC000647263146 936192547 /nfs/dbraw/zinc/19/25/47/936192547.db2.gz PWQMERBLJPEKJN-FPOVZHCZSA-N 2 1 362.521 3.828 20 0 FHADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000582854250 936218317 /nfs/dbraw/zinc/21/83/17/936218317.db2.gz UPFJRUVCSDKTPA-UHFFFAOYSA-N 2 1 363.505 3.827 20 0 FHADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000582854250 936218321 /nfs/dbraw/zinc/21/83/21/936218321.db2.gz UPFJRUVCSDKTPA-UHFFFAOYSA-N 2 1 363.505 3.827 20 0 FHADMP CC(=O)NC1CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000161531513 936259749 /nfs/dbraw/zinc/25/97/49/936259749.db2.gz VICIQNLKWOKRPH-MDMXATFFSA-N 2 1 357.542 3.687 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000472290734 938280801 /nfs/dbraw/zinc/28/08/01/938280801.db2.gz DDCLDALSGLKJSY-FQEVSTJZSA-N 2 1 360.542 3.747 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000650707807 938287576 /nfs/dbraw/zinc/28/75/76/938287576.db2.gz NMIGVNWZECRKQZ-OGWOLHLISA-N 2 1 359.901 3.607 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708152 938287978 /nfs/dbraw/zinc/28/79/78/938287978.db2.gz UJUIIMUFPDVXQZ-SQWLQELKSA-N 2 1 363.552 3.590 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)C1 ZINC000650707327 938289298 /nfs/dbraw/zinc/28/92/98/938289298.db2.gz CVQBCEZTMHRCJA-LNSITVRQSA-N 2 1 361.288 3.851 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)C1 ZINC000650707327 938289300 /nfs/dbraw/zinc/28/93/00/938289300.db2.gz CVQBCEZTMHRCJA-LNSITVRQSA-N 2 1 361.288 3.851 20 0 FHADMP CC(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722410 938309610 /nfs/dbraw/zinc/30/96/10/938309610.db2.gz RYXIFIILWLYYQE-NNWRFLSQSA-N 2 1 360.542 3.972 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(OC3CCCC3)c2)C1 ZINC000650721937 938310368 /nfs/dbraw/zinc/31/03/68/938310368.db2.gz GMMGIZRIRGRDKU-STZQEDGTSA-N 2 1 358.526 3.869 20 0 FHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151090945 938346550 /nfs/dbraw/zinc/34/65/50/938346550.db2.gz QQWVGWSSZHPVBV-VVESCEMWSA-N 2 1 369.553 3.919 20 0 FHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151090945 938346554 /nfs/dbraw/zinc/34/65/54/938346554.db2.gz QQWVGWSSZHPVBV-VVESCEMWSA-N 2 1 369.553 3.919 20 0 FHADMP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246294329 938355678 /nfs/dbraw/zinc/35/56/78/938355678.db2.gz NMNVEKVKIBHIOM-KRXUUXHPSA-N 2 1 371.569 3.524 20 0 FHADMP c1cc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779811 938405298 /nfs/dbraw/zinc/40/52/98/938405298.db2.gz KXTBXYBDNCOGQG-JOCHJYFZSA-N 2 1 362.477 3.768 20 0 FHADMP c1cc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779811 938405300 /nfs/dbraw/zinc/40/53/00/938405300.db2.gz KXTBXYBDNCOGQG-JOCHJYFZSA-N 2 1 362.477 3.768 20 0 FHADMP c1cc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779811 938405301 /nfs/dbraw/zinc/40/53/01/938405301.db2.gz KXTBXYBDNCOGQG-JOCHJYFZSA-N 2 1 362.477 3.768 20 0 FHADMP c1cc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779811 938405302 /nfs/dbraw/zinc/40/53/02/938405302.db2.gz KXTBXYBDNCOGQG-JOCHJYFZSA-N 2 1 362.477 3.768 20 0 FHADMP NC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657798598 938437137 /nfs/dbraw/zinc/43/71/37/938437137.db2.gz OXVYNYDJMDSCFF-FQEVSTJZSA-N 2 1 369.553 3.599 20 0 FHADMP NC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657798598 938437139 /nfs/dbraw/zinc/43/71/39/938437139.db2.gz OXVYNYDJMDSCFF-FQEVSTJZSA-N 2 1 369.553 3.599 20 0 FHADMP C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1OCc1ccccc1 ZINC000151360512 938534129 /nfs/dbraw/zinc/53/41/29/938534129.db2.gz OTQBPNQGRUCZBL-LJQANCHMSA-N 2 1 368.521 3.763 20 0 FHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(c1ccccc1)c1ccccc1 ZINC000151372569 938537026 /nfs/dbraw/zinc/53/70/26/938537026.db2.gz VIGBRWMYMXPGEF-LJQANCHMSA-N 2 1 352.522 3.643 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000584012310 938543041 /nfs/dbraw/zinc/54/30/41/938543041.db2.gz LIEIWUXUUOFBGQ-LZNRXBQRSA-N 2 1 372.940 3.916 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000584021116 938550857 /nfs/dbraw/zinc/55/08/57/938550857.db2.gz HFCNWOMVOJGIJX-ICFOKQHNSA-N 2 1 369.475 3.678 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C(F)F)nc1 ZINC000657823097 938573255 /nfs/dbraw/zinc/57/32/55/938573255.db2.gz INEQVANYTIGXTE-OAHLLOKOSA-N 2 1 361.436 3.702 20 0 FHADMP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825730 938582862 /nfs/dbraw/zinc/58/28/62/938582862.db2.gz BRYWZPGHFHXBGI-OAHLLOKOSA-N 2 1 374.326 3.943 20 0 FHADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825730 938582864 /nfs/dbraw/zinc/58/28/64/938582864.db2.gz BRYWZPGHFHXBGI-OAHLLOKOSA-N 2 1 374.326 3.943 20 0 FHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(Cl)cs2)c2cccs2)CC1 ZINC000574893076 938652876 /nfs/dbraw/zinc/65/28/76/938652876.db2.gz XXECBKULHUSUTP-HNNXBMFYSA-N 2 1 355.960 3.541 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000657838612 938676441 /nfs/dbraw/zinc/67/64/41/938676441.db2.gz WQALRCPGQMTVIO-WMZHIEFXSA-N 2 1 374.569 3.982 20 0 FHADMP CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000708503656 938692793 /nfs/dbraw/zinc/69/27/93/938692793.db2.gz KAHQNOBANSBBMF-RXVVDRJESA-N 2 1 368.521 3.952 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657839971 938702945 /nfs/dbraw/zinc/70/29/45/938702945.db2.gz JSKRGWNNDHOXRH-LVCYWYKZSA-N 2 1 352.526 3.986 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657849876 938717671 /nfs/dbraw/zinc/71/76/71/938717671.db2.gz NAVCUCKRVPWZCE-MRXNPFEDSA-N 2 1 372.509 3.618 20 0 FHADMP C[C@@H](O)c1ncc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000289264065 945201266 /nfs/dbraw/zinc/20/12/66/945201266.db2.gz MYTMLHJAHYYTHI-OAHLLOKOSA-N 2 1 374.554 3.587 20 0 FHADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000415008276 945201602 /nfs/dbraw/zinc/20/16/02/945201602.db2.gz SEVRYOBSHWBCOS-FUHWJXTLSA-N 2 1 364.411 3.910 20 0 FHADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000574982088 938799170 /nfs/dbraw/zinc/79/91/70/938799170.db2.gz IHUSIAKQXHEIIG-INIZCTEOSA-N 2 1 361.493 3.790 20 0 FHADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090217721 938872290 /nfs/dbraw/zinc/87/22/90/938872290.db2.gz UALYEDAXTYJEFY-UGKGYDQZSA-N 2 1 362.533 3.873 20 0 FHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000091265930 938898792 /nfs/dbraw/zinc/89/87/92/938898792.db2.gz NDJCZZBZKGKUGU-HSZRJFAPSA-N 2 1 366.505 3.768 20 0 FHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000536214314 938930229 /nfs/dbraw/zinc/93/02/29/938930229.db2.gz JQMCRCIQVRZMHM-NRFANRHFSA-N 2 1 365.521 3.907 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000093769396 938930292 /nfs/dbraw/zinc/93/02/92/938930292.db2.gz LCCDGFYBRISSPT-UHFFFAOYSA-N 2 1 353.576 3.837 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093844583 938930776 /nfs/dbraw/zinc/93/07/76/938930776.db2.gz RHZZTUOQNMVEES-IBGZPJMESA-N 2 1 367.541 3.744 20 0 FHADMP COC1CCC([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093415041 938933576 /nfs/dbraw/zinc/93/35/76/938933576.db2.gz FHXHUDCYOSLEAI-UHFFFAOYSA-N 2 1 359.558 3.606 20 0 FHADMP c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000685451771 938987453 /nfs/dbraw/zinc/98/74/53/938987453.db2.gz AOZCJOZVYNIQSA-QFIPXVFZSA-N 2 1 351.494 3.893 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685456669 938987768 /nfs/dbraw/zinc/98/77/68/938987768.db2.gz BJOUTMORZPUXMM-UHFFFAOYSA-N 2 1 365.521 3.663 20 0 FHADMP CC(C)CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457305 938987846 /nfs/dbraw/zinc/98/78/46/938987846.db2.gz VQHZMUFGHYCMBL-QFIPXVFZSA-N 2 1 373.585 3.712 20 0 FHADMP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000080339318 939000381 /nfs/dbraw/zinc/00/03/81/939000381.db2.gz PIQWBOGYYKMYDB-PXNSSMCTSA-N 2 1 354.494 3.847 20 0 FHADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000080339318 939000382 /nfs/dbraw/zinc/00/03/82/939000382.db2.gz PIQWBOGYYKMYDB-PXNSSMCTSA-N 2 1 354.494 3.847 20 0 FHADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000131392637 939001538 /nfs/dbraw/zinc/00/15/38/939001538.db2.gz KVICBQOYCUZKFK-QGZVFWFLSA-N 2 1 366.509 3.997 20 0 FHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000131392637 939001539 /nfs/dbraw/zinc/00/15/39/939001539.db2.gz KVICBQOYCUZKFK-QGZVFWFLSA-N 2 1 366.509 3.997 20 0 FHADMP c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657970840 939013684 /nfs/dbraw/zinc/01/36/84/939013684.db2.gz HXGMJNNQLOATLP-WOZUAGRISA-N 2 1 350.510 3.608 20 0 FHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000658004351 939018520 /nfs/dbraw/zinc/01/85/20/939018520.db2.gz YLGLGWYNWOZEEH-GOSISDBHSA-N 2 1 371.491 3.642 20 0 FHADMP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000658114107 939024501 /nfs/dbraw/zinc/02/45/01/939024501.db2.gz MHWSRAITXGZAAI-FQUXPLTJSA-N 2 1 374.569 3.585 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)[C@@H](C)C1 ZINC000658126666 939034084 /nfs/dbraw/zinc/03/40/84/939034084.db2.gz HCSFSNWGRNMSFO-GHTZIAJQSA-N 2 1 355.526 3.504 20 0 FHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658141482 939034931 /nfs/dbraw/zinc/03/49/31/939034931.db2.gz BMNPHESFYWAYEP-UWJYYQICSA-N 2 1 354.494 3.503 20 0 FHADMP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143161 939035886 /nfs/dbraw/zinc/03/58/86/939035886.db2.gz XGAQYEVDNYLJHH-UTKZUKDTSA-N 2 1 356.485 3.503 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145302 939037578 /nfs/dbraw/zinc/03/75/78/939037578.db2.gz RKIWZZULWMAMBB-OXQOHEQNSA-N 2 1 350.462 3.850 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145297 939037722 /nfs/dbraw/zinc/03/77/22/939037722.db2.gz RKIWZZULWMAMBB-JXFKEZNVSA-N 2 1 350.462 3.850 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145304 939037739 /nfs/dbraw/zinc/03/77/39/939037739.db2.gz RKIWZZULWMAMBB-UZLBHIALSA-N 2 1 350.462 3.850 20 0 FHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137368 939040959 /nfs/dbraw/zinc/04/09/59/939040959.db2.gz GNMCBWBTJLJDSS-BEFAXECRSA-N 2 1 373.566 3.992 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138846 939041065 /nfs/dbraw/zinc/04/10/65/939041065.db2.gz OOICFGUOBJSCFK-FPOVZHCZSA-N 2 1 356.897 3.684 20 0 FHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138646 939041952 /nfs/dbraw/zinc/04/19/52/939041952.db2.gz OELANUVPGJKZSK-LAUBAEHRSA-N 2 1 364.489 3.720 20 0 FHADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167741 939054187 /nfs/dbraw/zinc/05/41/87/939054187.db2.gz YUMUZRMHNCOAEY-AAIMPIBUSA-N 2 1 368.521 3.883 20 0 FHADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167741 939054188 /nfs/dbraw/zinc/05/41/88/939054188.db2.gz YUMUZRMHNCOAEY-AAIMPIBUSA-N 2 1 368.521 3.883 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000658227395 939074009 /nfs/dbraw/zinc/07/40/09/939074009.db2.gz AVABJEHNMKFYJR-FRIYVGAWSA-N 2 1 367.537 3.816 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000658227395 939074011 /nfs/dbraw/zinc/07/40/11/939074011.db2.gz AVABJEHNMKFYJR-FRIYVGAWSA-N 2 1 367.537 3.816 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000658268112 939088168 /nfs/dbraw/zinc/08/81/68/939088168.db2.gz YSGKPIOWEWMHIY-SFHVURJKSA-N 2 1 366.553 3.873 20 0 FHADMP C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658268425 939094120 /nfs/dbraw/zinc/09/41/20/939094120.db2.gz NWSBTZLKLSCPBE-YLJYHZDGSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658268425 939094126 /nfs/dbraw/zinc/09/41/26/939094126.db2.gz NWSBTZLKLSCPBE-YLJYHZDGSA-N 2 1 352.526 3.688 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295809 939101700 /nfs/dbraw/zinc/10/17/00/939101700.db2.gz OPMCEPSBSFSROM-LAUBAEHRSA-N 2 1 353.510 3.697 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658313243 939108143 /nfs/dbraw/zinc/10/81/43/939108143.db2.gz LHRFELKZGRDQAU-YDPRHXJPSA-N 2 1 374.569 3.587 20 0 FHADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318655 939110398 /nfs/dbraw/zinc/11/03/98/939110398.db2.gz RLZYJGXXFRZCPN-PMACEKPBSA-N 2 1 350.510 3.610 20 0 FHADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319788 939111224 /nfs/dbraw/zinc/11/12/24/939111224.db2.gz IVRRUHQRQAIIGS-PZJWPPBQSA-N 2 1 371.569 3.525 20 0 FHADMP CC(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320577 939111531 /nfs/dbraw/zinc/11/15/31/939111531.db2.gz ZTVOLDNRKIEIEA-OAQYLSRUSA-N 2 1 355.570 3.751 20 0 FHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320577 939111537 /nfs/dbraw/zinc/11/15/37/939111537.db2.gz ZTVOLDNRKIEIEA-OAQYLSRUSA-N 3 1 355.570 3.751 20 0 FHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320577 939111541 /nfs/dbraw/zinc/11/15/41/939111541.db2.gz ZTVOLDNRKIEIEA-OAQYLSRUSA-N 3 1 355.570 3.751 20 0 FHADMP OC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC(F)(F)CC1 ZINC000658321324 939112113 /nfs/dbraw/zinc/11/21/13/939112113.db2.gz OHUWNEWPGIABGC-REPLKXPHSA-N 2 1 364.480 3.712 20 0 FHADMP NC(=O)CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000658341823 939118369 /nfs/dbraw/zinc/11/83/69/939118369.db2.gz AREGLISCNHSTRH-MZADTFQBSA-N 2 1 369.553 3.598 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000511848608 945268359 /nfs/dbraw/zinc/26/83/59/945268359.db2.gz DNSAOCQNIUESJU-LJQANCHMSA-N 2 1 359.558 3.770 20 0 FHADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507488327 945274951 /nfs/dbraw/zinc/27/49/51/945274951.db2.gz UHUQNJKVBPBHGJ-QPXUXIHVSA-N 2 1 364.533 3.783 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1)C1CC1 ZINC000511853098 945279002 /nfs/dbraw/zinc/27/90/02/945279002.db2.gz IKNSRCMWMFTHPU-UHFFFAOYSA-N 2 1 357.542 3.664 20 0 FHADMP CSc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000507507054 945286313 /nfs/dbraw/zinc/28/63/13/945286313.db2.gz HBSCYYGXLHKPSX-SLFFLAALSA-N 2 1 353.535 3.804 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)CC2)nc(C)[nH+]1 ZINC000375883088 940013794 /nfs/dbraw/zinc/01/37/94/940013794.db2.gz ALEVLJUZGDSUQP-HXUWFJFHSA-N 2 1 368.529 3.697 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)nc1 ZINC000647479680 940054254 /nfs/dbraw/zinc/05/42/54/940054254.db2.gz PLZJMSMXZZJVRX-UGKGYDQZSA-N 2 1 351.494 3.625 20 0 FHADMP O=c1[nH]c(Cl)c(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)s1 ZINC001279687018 940241953 /nfs/dbraw/zinc/24/19/53/940241953.db2.gz CNNHIJLTRBYBJH-UHFFFAOYSA-N 2 1 355.935 3.733 20 0 FHADMP O=c1[nH]c(Cl)c(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)s1 ZINC001279687018 940241958 /nfs/dbraw/zinc/24/19/58/940241958.db2.gz CNNHIJLTRBYBJH-UHFFFAOYSA-N 2 1 355.935 3.733 20 0 FHADMP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133129012 940267441 /nfs/dbraw/zinc/26/74/41/940267441.db2.gz PVVNIPUZTBXGOH-KDOFPFPSSA-N 2 1 366.958 3.967 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647497778 940377325 /nfs/dbraw/zinc/37/73/25/940377325.db2.gz VDSWRQPHDIVFOJ-OXJNMPFZSA-N 2 1 370.541 3.873 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497432 940380022 /nfs/dbraw/zinc/38/00/22/940380022.db2.gz HNQSISCSNDHIGZ-XLIONFOSSA-N 2 1 352.526 3.784 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000647497432 940380026 /nfs/dbraw/zinc/38/00/26/940380026.db2.gz HNQSISCSNDHIGZ-XLIONFOSSA-N 2 1 352.526 3.784 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000414056787 940464745 /nfs/dbraw/zinc/46/47/45/940464745.db2.gz DTJRNUXMVMTUCM-GOSISDBHSA-N 2 1 352.526 3.912 20 0 FHADMP c1cc(-c2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850961 940467471 /nfs/dbraw/zinc/46/74/71/940467471.db2.gz XMENMOFBUDDFTF-MOPGFXCFSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850961 940467474 /nfs/dbraw/zinc/46/74/74/940467474.db2.gz XMENMOFBUDDFTF-MOPGFXCFSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850961 940467477 /nfs/dbraw/zinc/46/74/77/940467477.db2.gz XMENMOFBUDDFTF-MOPGFXCFSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)n[nH]1 ZINC000685850961 940467478 /nfs/dbraw/zinc/46/74/78/940467478.db2.gz XMENMOFBUDDFTF-MOPGFXCFSA-N 2 1 362.477 3.624 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414069803 940476060 /nfs/dbraw/zinc/47/60/60/940476060.db2.gz JOGKFCKQNPCPGQ-AEFFLSMTSA-N 2 1 359.539 3.585 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000414069803 940476062 /nfs/dbraw/zinc/47/60/62/940476062.db2.gz JOGKFCKQNPCPGQ-AEFFLSMTSA-N 2 1 359.539 3.585 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760561 940478678 /nfs/dbraw/zinc/47/86/78/940478678.db2.gz XLUXEFMJMQLKTA-DENIHFKCSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431760561 940478679 /nfs/dbraw/zinc/47/86/79/940478679.db2.gz XLUXEFMJMQLKTA-DENIHFKCSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431760561 940478680 /nfs/dbraw/zinc/47/86/80/940478680.db2.gz XLUXEFMJMQLKTA-DENIHFKCSA-N 2 1 371.569 3.799 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414091126 940496174 /nfs/dbraw/zinc/49/61/74/940496174.db2.gz DLMKLYFFYZKQCB-WFXMLNOXSA-N 2 1 353.510 3.521 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414091126 940496176 /nfs/dbraw/zinc/49/61/76/940496176.db2.gz DLMKLYFFYZKQCB-WFXMLNOXSA-N 2 1 353.510 3.521 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000507576113 945328025 /nfs/dbraw/zinc/32/80/25/945328025.db2.gz RDCXWRNCKSUYKL-INIZCTEOSA-N 2 1 370.335 3.616 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000414110009 940593974 /nfs/dbraw/zinc/59/39/74/940593974.db2.gz LHSDRXZUKAKRHW-INIZCTEOSA-N 2 1 354.498 3.730 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000414121964 940618138 /nfs/dbraw/zinc/61/81/38/940618138.db2.gz NPTLBGJIDRVHQZ-XAUMDUMWSA-N 2 1 359.539 3.755 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000414121964 940618140 /nfs/dbraw/zinc/61/81/40/940618140.db2.gz NPTLBGJIDRVHQZ-XAUMDUMWSA-N 2 1 359.539 3.755 20 0 FHADMP COc1ccc(C[NH+](C)C/C=C/C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000613351363 940623482 /nfs/dbraw/zinc/62/34/82/940623482.db2.gz GEYNRICUNBXDOA-AATRIKPKSA-N 2 1 354.494 3.824 20 0 FHADMP COc1ccccc1C[NH+](C)C/C=C\C[N@H+](C)Cc1ccccc1OC ZINC000613360860 940630350 /nfs/dbraw/zinc/63/03/50/940630350.db2.gz RAHKFICZNZYCNP-KTKRTIGZSA-N 2 1 354.494 3.824 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000519359136 945336569 /nfs/dbraw/zinc/33/65/69/945336569.db2.gz HJCVAZXIBLEUBU-KDURUIRLSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000519359136 945336578 /nfs/dbraw/zinc/33/65/78/945336578.db2.gz HJCVAZXIBLEUBU-KDURUIRLSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000519359136 945336587 /nfs/dbraw/zinc/33/65/87/945336587.db2.gz HJCVAZXIBLEUBU-KDURUIRLSA-N 2 1 359.558 3.910 20 0 FHADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141608 945345344 /nfs/dbraw/zinc/34/53/44/945345344.db2.gz VEYSHFCFHFDABH-GOSISDBHSA-N 2 1 362.514 3.628 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000613492399 940775419 /nfs/dbraw/zinc/77/54/19/940775419.db2.gz LQFZNKKBMHCKCN-RTWAWAEBSA-N 2 1 363.590 3.612 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221434 940791966 /nfs/dbraw/zinc/79/19/66/940791966.db2.gz KWWXSFIBFFHUSS-TZMOSPSESA-N 2 1 350.506 3.799 20 0 FHADMP CC(C)(C)OC(=O)Nc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc[nH+]1 ZINC001167986434 945359517 /nfs/dbraw/zinc/35/95/17/945359517.db2.gz VJVUVCOJMQOOQW-UHFFFAOYSA-N 2 1 368.437 3.579 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582185 940949271 /nfs/dbraw/zinc/94/92/71/940949271.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@H]1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472582185 940949273 /nfs/dbraw/zinc/94/92/73/940949273.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@H]1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472582185 940949277 /nfs/dbraw/zinc/94/92/77/940949277.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 2 1 355.570 3.849 20 0 FHADMP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000414334482 940989959 /nfs/dbraw/zinc/98/99/59/940989959.db2.gz BLEBSAKLTLLREG-JOCHJYFZSA-N 2 1 367.512 3.701 20 0 FHADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601620 941001440 /nfs/dbraw/zinc/00/14/40/941001440.db2.gz IRFMQZVTVMKPOA-HZPDHXFCSA-N 2 1 354.441 3.651 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601620 941001441 /nfs/dbraw/zinc/00/14/41/941001441.db2.gz IRFMQZVTVMKPOA-HZPDHXFCSA-N 2 1 354.441 3.651 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543762 941065606 /nfs/dbraw/zinc/06/56/06/941065606.db2.gz RRLURKLKMLAIEF-HOTGVXAUSA-N 2 1 354.441 3.508 20 0 FHADMP COc1sc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647543831 941065756 /nfs/dbraw/zinc/06/57/56/941065756.db2.gz SOTXWDNBWLVCRU-QWHCGFSZSA-N 2 1 373.360 3.731 20 0 FHADMP c1c[nH]c([C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495228 941083584 /nfs/dbraw/zinc/08/35/84/941083584.db2.gz MAQQYJWHBFOBBF-HDICACEKSA-N 2 1 356.518 3.667 20 0 FHADMP c1c[nH]c([C@H]2CCC[N@H+]2CCCCCC[NH+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495228 941083586 /nfs/dbraw/zinc/08/35/86/941083586.db2.gz MAQQYJWHBFOBBF-HDICACEKSA-N 2 1 356.518 3.667 20 0 FHADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCCCCC[NH+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495228 941083588 /nfs/dbraw/zinc/08/35/88/941083588.db2.gz MAQQYJWHBFOBBF-HDICACEKSA-N 2 1 356.518 3.667 20 0 FHADMP CCc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000414404326 941104377 /nfs/dbraw/zinc/10/43/77/941104377.db2.gz HWRULONJOVQECW-UHFFFAOYSA-N 2 1 350.510 3.527 20 0 FHADMP C[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1c1ccccc1 ZINC000423527023 941124704 /nfs/dbraw/zinc/12/47/04/941124704.db2.gz LXGKAJYFOYOYCM-HHUJENDASA-N 2 1 353.554 3.565 20 0 FHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000377300059 941128455 /nfs/dbraw/zinc/12/84/55/941128455.db2.gz SSCLILHSACHHOP-SQNIBIBYSA-N 2 1 356.432 3.598 20 0 FHADMP C[N@H+](CCCO)C1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000115547175 941135089 /nfs/dbraw/zinc/13/50/89/941135089.db2.gz LKTBBKJPQVBCKO-UHFFFAOYSA-N 2 1 362.558 3.532 20 0 FHADMP C[N@@H+](CCCO)C1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000115547175 941135090 /nfs/dbraw/zinc/13/50/90/941135090.db2.gz LKTBBKJPQVBCKO-UHFFFAOYSA-N 2 1 362.558 3.532 20 0 FHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000311249610 941152437 /nfs/dbraw/zinc/15/24/37/941152437.db2.gz IXCBOWCNNZVODM-OKYOBFRVSA-N 2 1 367.578 3.875 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210040 941164466 /nfs/dbraw/zinc/16/44/66/941164466.db2.gz IQJRNVHNOZSGBE-FOIQADDNSA-N 2 1 355.457 3.839 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210040 941164467 /nfs/dbraw/zinc/16/44/67/941164467.db2.gz IQJRNVHNOZSGBE-FOIQADDNSA-N 2 1 355.457 3.839 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178368009 941237611 /nfs/dbraw/zinc/23/76/11/941237611.db2.gz HZPFVYJGIUFMMB-APWZRJJASA-N 2 1 369.475 3.656 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000178368009 941237613 /nfs/dbraw/zinc/23/76/13/941237613.db2.gz HZPFVYJGIUFMMB-APWZRJJASA-N 2 1 369.475 3.656 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000659376772 941238480 /nfs/dbraw/zinc/23/84/80/941238480.db2.gz MXECDVOZKKAZQI-WIYYLYMNSA-N 2 1 359.558 3.898 20 0 FHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121018 941252605 /nfs/dbraw/zinc/25/26/05/941252605.db2.gz LTHDDHGSBGDLQD-DZGCQCFKSA-N 2 1 357.311 3.841 20 0 FHADMP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636154 941369839 /nfs/dbraw/zinc/36/98/39/941369839.db2.gz DXKBHXPUJUDVHK-SVFBPWRDSA-N 2 1 361.599 3.515 20 0 FHADMP CO[C@]1(C)CCC[N@@H+](CCCCC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377212725 941569151 /nfs/dbraw/zinc/56/91/51/941569151.db2.gz CUSQQRYBMUXLBM-OYRHEFFESA-N 2 1 354.579 3.939 20 0 FHADMP CO[C@]1(C)CCC[NH+](CCCCC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377212725 941569153 /nfs/dbraw/zinc/56/91/53/941569153.db2.gz CUSQQRYBMUXLBM-OYRHEFFESA-N 2 1 354.579 3.939 20 0 FHADMP CO[C@]1(C)CCC[NH+](CCCCC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377212725 941569156 /nfs/dbraw/zinc/56/91/56/941569156.db2.gz CUSQQRYBMUXLBM-OYRHEFFESA-N 2 1 354.579 3.939 20 0 FHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059543 941570878 /nfs/dbraw/zinc/57/08/78/941570878.db2.gz XCXLVRJUPKTAIZ-JKSUJKDBSA-N 2 1 354.441 3.651 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057104 941576790 /nfs/dbraw/zinc/57/67/90/941576790.db2.gz TYUCSSMVVXVHJU-GHTZIAJQSA-N 2 1 352.526 3.960 20 0 FHADMP [NH3+]CCC[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccccc1 ZINC000415061111 941579615 /nfs/dbraw/zinc/57/96/15/941579615.db2.gz XYMXPSHLOOBNMF-GOSISDBHSA-N 2 1 373.863 3.630 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690434 941581363 /nfs/dbraw/zinc/58/13/63/941581363.db2.gz KGSXQRBWUXJARK-HKUYNNGSSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690434 941581366 /nfs/dbraw/zinc/58/13/66/941581366.db2.gz KGSXQRBWUXJARK-HKUYNNGSSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690434 941581369 /nfs/dbraw/zinc/58/13/69/941581369.db2.gz KGSXQRBWUXJARK-HKUYNNGSSA-N 2 1 372.488 3.930 20 0 FHADMP CCCOc1ccccc1Oc1ncccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415075865 941586990 /nfs/dbraw/zinc/58/69/90/941586990.db2.gz ANNTYLZOSGAGRG-NRFANRHFSA-N 2 1 355.482 3.752 20 0 FHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000415109699 941606781 /nfs/dbraw/zinc/60/67/81/941606781.db2.gz NYKRTYCMZUCCQK-IRXDYDNUSA-N 2 1 360.395 3.563 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122818 941619067 /nfs/dbraw/zinc/61/90/67/941619067.db2.gz ISBPKYXSLJGHMX-QFBILLFUSA-N 2 1 354.494 3.788 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 ZINC000415123621 941620003 /nfs/dbraw/zinc/62/00/03/941620003.db2.gz LNFAXJZHVDCBQT-YOEHRIQHSA-N 2 1 360.395 3.563 20 0 FHADMP Fc1cc(Br)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204734798 941744200 /nfs/dbraw/zinc/74/42/00/941744200.db2.gz FJENUCNYZFAIOE-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP Fc1cc(Br)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204734798 941744203 /nfs/dbraw/zinc/74/42/03/941744203.db2.gz FJENUCNYZFAIOE-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP O[C@@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513204670 941780623 /nfs/dbraw/zinc/78/06/23/941780623.db2.gz UGSSTQFPZAQFEK-WOJBJXKFSA-N 2 1 366.496 3.610 20 0 FHADMP CN1CCN([C@H]2CCCC[N@@H+](CCCc3c(F)cccc3Cl)C2)CC1 ZINC000377619204 941848335 /nfs/dbraw/zinc/84/83/35/941848335.db2.gz CGSSXJKPFFNESI-KRWDZBQOSA-N 2 1 367.940 3.514 20 0 FHADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCc3c(F)cccc3Cl)C2)CC1 ZINC000377619204 941848343 /nfs/dbraw/zinc/84/83/43/941848343.db2.gz CGSSXJKPFFNESI-KRWDZBQOSA-N 2 1 367.940 3.514 20 0 FHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(OC)c1O ZINC000377654413 941872437 /nfs/dbraw/zinc/87/24/37/941872437.db2.gz NZAIBWWAJOZBOG-MRXNPFEDSA-N 2 1 370.493 3.725 20 0 FHADMP C[N@@H+](Cc1cnc(C(F)(F)F)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377703203 941912196 /nfs/dbraw/zinc/91/21/96/941912196.db2.gz WFXWIWBQIUBGHX-UHFFFAOYSA-N 2 1 356.417 3.658 20 0 FHADMP CCC[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377704595 941914001 /nfs/dbraw/zinc/91/40/01/941914001.db2.gz RNAVAYJLUZUERS-JYEDNEFCSA-N 2 1 355.570 3.813 20 0 FHADMP COc1cc([C@@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1F ZINC000377709826 941920846 /nfs/dbraw/zinc/92/08/46/941920846.db2.gz VJCPGRUKUVXARV-YWMUFLPLSA-N 2 1 357.473 3.915 20 0 FHADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000513655722 942058227 /nfs/dbraw/zinc/05/82/27/942058227.db2.gz NYLFQFGOXHCEIC-NJDAHSKKSA-N 2 1 368.525 3.591 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000513672650 942066821 /nfs/dbraw/zinc/06/68/21/942066821.db2.gz SSQLUHPIEWVKST-LJQANCHMSA-N 2 1 367.537 3.779 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415905897 942134048 /nfs/dbraw/zinc/13/40/48/942134048.db2.gz JDBYDUSHAWTVHZ-DYESRHJHSA-N 2 1 366.509 3.581 20 0 FHADMP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCCC1CC[NH2+]CC1 ZINC000647881641 942135666 /nfs/dbraw/zinc/13/56/66/942135666.db2.gz YKMAOXUSPUFIKN-UHFFFAOYSA-N 2 1 358.505 3.860 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000415907667 942135874 /nfs/dbraw/zinc/13/58/74/942135874.db2.gz BSFCQJUQWRFMTE-QZTJIDSGSA-N 2 1 358.530 3.524 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415924344 942150949 /nfs/dbraw/zinc/15/09/49/942150949.db2.gz WHYJCNPJWDTKOE-SJLPKXTDSA-N 2 1 358.530 3.571 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415924342 942151360 /nfs/dbraw/zinc/15/13/60/942151360.db2.gz WHYJCNPJWDTKOE-FUHWJXTLSA-N 2 1 358.530 3.571 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000415927041 942163185 /nfs/dbraw/zinc/16/31/85/942163185.db2.gz VZOSJBSTBPVPSK-OAQYLSRUSA-N 2 1 368.525 3.684 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000415939051 942170164 /nfs/dbraw/zinc/17/01/64/942170164.db2.gz ZTPIPCMMQJDJOQ-NRFANRHFSA-N 2 1 368.525 3.684 20 0 FHADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000280392884 942174194 /nfs/dbraw/zinc/17/41/94/942174194.db2.gz XCRJFLUNOHMBPY-QFIPXVFZSA-N 2 1 359.558 3.608 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000415943740 942176873 /nfs/dbraw/zinc/17/68/73/942176873.db2.gz MTKVUOINIDZGCJ-LJQANCHMSA-N 2 1 374.916 3.874 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](c3cccnc3)C3CCC3)CC2)nc(C)[nH+]1 ZINC000280443622 942181665 /nfs/dbraw/zinc/18/16/65/942181665.db2.gz CSVBIEVVDRRLHT-OAQYLSRUSA-N 2 1 351.498 3.588 20 0 FHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415962254 942201049 /nfs/dbraw/zinc/20/10/49/942201049.db2.gz SKAJGNSKKPTCQI-MRXNPFEDSA-N 2 1 372.435 3.502 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415964286 942202528 /nfs/dbraw/zinc/20/25/28/942202528.db2.gz ZNWHFRLIILKUOS-HXUWFJFHSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000415967298 942206679 /nfs/dbraw/zinc/20/66/79/942206679.db2.gz BCVSUMIZRCBLFF-UWJYYQICSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000415958873 942207239 /nfs/dbraw/zinc/20/72/39/942207239.db2.gz RTYLZIPNNNBIDC-HXUWFJFHSA-N 2 1 372.557 3.962 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415974143 942210987 /nfs/dbraw/zinc/21/09/87/942210987.db2.gz PYJJPEOHLANJRW-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000415967682 942213134 /nfs/dbraw/zinc/21/31/34/942213134.db2.gz BTHMIKKWZHUVKB-IEBWSBKVSA-N 2 1 358.530 3.524 20 0 FHADMP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415975700 942218805 /nfs/dbraw/zinc/21/88/05/942218805.db2.gz MUFWVGHEGVIPLM-LAUBAEHRSA-N 2 1 366.509 3.835 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000415985715 942235055 /nfs/dbraw/zinc/23/50/55/942235055.db2.gz TZBMBLLVCMBEEU-OAQYLSRUSA-N 2 1 368.525 3.684 20 0 FHADMP Cc1cccnc1[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420934986 942262445 /nfs/dbraw/zinc/26/24/45/942262445.db2.gz KTEVFVVKFKZWCL-OAQYLSRUSA-N 2 1 353.510 3.709 20 0 FHADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000420942172 942265696 /nfs/dbraw/zinc/26/56/96/942265696.db2.gz UWWDNVRFPBDXSS-FQEVSTJZSA-N 2 1 371.550 3.793 20 0 FHADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)c2)c1 ZINC000502323220 942353568 /nfs/dbraw/zinc/35/35/68/942353568.db2.gz VCONZJXOXLYPLL-LJQANCHMSA-N 2 1 361.493 3.785 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183674 942369847 /nfs/dbraw/zinc/36/98/47/942369847.db2.gz JKJCOJMRSZMWMZ-XWPNQZOQSA-N 2 1 366.933 3.507 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712240 942413166 /nfs/dbraw/zinc/41/31/66/942413166.db2.gz AYZXVFOIAOIAGY-ZCNNSNEGSA-N 2 1 358.526 3.979 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712238 942413379 /nfs/dbraw/zinc/41/33/79/942413379.db2.gz AYZXVFOIAOIAGY-VAMGGRTRSA-N 2 1 358.526 3.979 20 0 FHADMP CCc1oc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1C(=O)OC ZINC000549404030 942435305 /nfs/dbraw/zinc/43/53/05/942435305.db2.gz VEAKLGROCLIZRB-UHFFFAOYSA-N 2 1 356.466 3.514 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832548 942505660 /nfs/dbraw/zinc/50/56/60/942505660.db2.gz DSWYTYAILLJXCD-RDTXWAMCSA-N 2 1 351.922 3.863 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000468655425 942527911 /nfs/dbraw/zinc/52/79/11/942527911.db2.gz KVIFMNDEZOFVBH-KDURUIRLSA-N 2 1 357.542 3.552 20 0 FHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893206520 942595310 /nfs/dbraw/zinc/59/53/10/942595310.db2.gz FUOKXPSHCNZBQW-NTJFWFSHSA-N 2 1 358.526 3.527 20 0 FHADMP CC1CC[NH+](CC2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)CC1 ZINC000378331198 942595598 /nfs/dbraw/zinc/59/55/98/942595598.db2.gz ITIAWRPMMLWXJA-IBGZPJMESA-N 2 1 363.571 3.939 20 0 FHADMP C[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000420287546 942605946 /nfs/dbraw/zinc/60/59/46/942605946.db2.gz IDFBTUOGKUWPLS-WFASDCNBSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000420287546 942605954 /nfs/dbraw/zinc/60/59/54/942605954.db2.gz IDFBTUOGKUWPLS-WFASDCNBSA-N 2 1 360.914 3.885 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CC(C)(C)C[NH3+])on1 ZINC000420291649 942608042 /nfs/dbraw/zinc/60/80/42/942608042.db2.gz OBSJYFJMNYLVLU-UHFFFAOYSA-N 2 1 353.466 3.920 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CC(C)(C)C[NH3+])on1 ZINC000420291649 942608048 /nfs/dbraw/zinc/60/80/48/942608048.db2.gz OBSJYFJMNYLVLU-UHFFFAOYSA-N 2 1 353.466 3.920 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000420301006 942610894 /nfs/dbraw/zinc/61/08/94/942610894.db2.gz IHPFAQNYCHGSDM-UWJYYQICSA-N 2 1 370.493 3.592 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000420315687 942618291 /nfs/dbraw/zinc/61/82/91/942618291.db2.gz XFAUQHWIVKJJSI-GOEBONIOSA-N 2 1 351.450 3.673 20 0 FHADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420341004 942625002 /nfs/dbraw/zinc/62/50/02/942625002.db2.gz PPIGJJBEOWQBGT-RZUBCFFCSA-N 2 1 363.505 3.606 20 0 FHADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCCC2 ZINC000181851769 942627977 /nfs/dbraw/zinc/62/79/77/942627977.db2.gz RAZRXGJPJVVTRD-UXHICEINSA-N 2 1 352.563 3.593 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328222 942630617 /nfs/dbraw/zinc/63/06/17/942630617.db2.gz ZQGHMLSORAMYLT-UGKGYDQZSA-N 2 1 353.510 3.641 20 0 FHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420358491 942636711 /nfs/dbraw/zinc/63/67/11/942636711.db2.gz JEISYTYQSGYPTC-INIZCTEOSA-N 3 1 369.475 3.601 20 0 FHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420358491 942636714 /nfs/dbraw/zinc/63/67/14/942636714.db2.gz JEISYTYQSGYPTC-INIZCTEOSA-N 3 1 369.475 3.601 20 0 FHADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000420381749 942647566 /nfs/dbraw/zinc/64/75/66/942647566.db2.gz ZJJRUBXTWAMIDC-MRXNPFEDSA-N 2 1 357.420 3.531 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901937 942664281 /nfs/dbraw/zinc/66/42/81/942664281.db2.gz XQSGQFNUNRJVHP-ICSRJNTNSA-N 2 1 351.494 3.632 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)[C@@H](C)C1 ZINC000502722777 942694945 /nfs/dbraw/zinc/69/49/45/942694945.db2.gz PQCIBPNJQIZGIR-WFXMLNOXSA-N 2 1 362.562 3.786 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)[C@@H](C)C1 ZINC000502722777 942694947 /nfs/dbraw/zinc/69/49/47/942694947.db2.gz PQCIBPNJQIZGIR-WFXMLNOXSA-N 2 1 362.562 3.786 20 0 FHADMP CC[N@@H+](CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C(C)C ZINC000502761036 942722522 /nfs/dbraw/zinc/72/25/22/942722522.db2.gz FTPZFAATCLWMHT-LJQANCHMSA-N 2 1 374.573 3.680 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000514094548 942744422 /nfs/dbraw/zinc/74/44/22/942744422.db2.gz KRRHJTRTRGQRRZ-FPOVZHCZSA-N 2 1 352.563 3.896 20 0 FHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502795005 942748553 /nfs/dbraw/zinc/74/85/53/942748553.db2.gz JNKMWXBOEMRKOT-RBUKOAKNSA-N 2 1 374.573 3.680 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000502840637 942773924 /nfs/dbraw/zinc/77/39/24/942773924.db2.gz DBJORIZESOMBRO-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000502844272 942791881 /nfs/dbraw/zinc/79/18/81/942791881.db2.gz WWOXPAUFIDHIQO-SFHVURJKSA-N 2 1 374.573 3.680 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000659994521 942800170 /nfs/dbraw/zinc/80/01/70/942800170.db2.gz XCBZOAYZUAEFBB-FPOVZHCZSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994521 942800179 /nfs/dbraw/zinc/80/01/79/942800179.db2.gz XCBZOAYZUAEFBB-FPOVZHCZSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994521 942800184 /nfs/dbraw/zinc/80/01/84/942800184.db2.gz XCBZOAYZUAEFBB-FPOVZHCZSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994521 942800191 /nfs/dbraw/zinc/80/01/91/942800191.db2.gz XCBZOAYZUAEFBB-FPOVZHCZSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)CNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659994521 942800197 /nfs/dbraw/zinc/80/01/97/942800197.db2.gz XCBZOAYZUAEFBB-FPOVZHCZSA-N 2 1 359.558 3.524 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(OC)CCCC3)CC2)cs1 ZINC000421840310 942854921 /nfs/dbraw/zinc/85/49/21/942854921.db2.gz YQDXSOGSFCVPQU-MRXNPFEDSA-N 2 1 365.587 3.855 20 0 FHADMP OC1(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421848229 942858569 /nfs/dbraw/zinc/85/85/69/942858569.db2.gz AEPQQUKEXMVYHA-FDFHNCONSA-N 2 1 356.554 3.962 20 0 FHADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688680 942865605 /nfs/dbraw/zinc/86/56/05/942865605.db2.gz ORRNEBQSUPPSFA-MJGOQNOKSA-N 2 1 372.557 3.578 20 0 FHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688681 942865760 /nfs/dbraw/zinc/86/57/60/942865760.db2.gz ORRNEBQSUPPSFA-PKOBYXMFSA-N 2 1 372.557 3.578 20 0 FHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115956 942929661 /nfs/dbraw/zinc/92/96/61/942929661.db2.gz HDKLWEYTKJVOAH-URVUXULASA-N 2 1 357.586 3.807 20 0 FHADMP C[C@H]1C[C@@H]1[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115956 942929666 /nfs/dbraw/zinc/92/96/66/942929666.db2.gz HDKLWEYTKJVOAH-URVUXULASA-N 2 1 357.586 3.807 20 0 FHADMP C[C@H]1C[C@@H]1[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115956 942929668 /nfs/dbraw/zinc/92/96/68/942929668.db2.gz HDKLWEYTKJVOAH-URVUXULASA-N 2 1 357.586 3.807 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000503054819 942952813 /nfs/dbraw/zinc/95/28/13/942952813.db2.gz UXZGTWDWJNZNHS-HXUWFJFHSA-N 2 1 373.541 3.559 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000503054819 942952818 /nfs/dbraw/zinc/95/28/18/942952818.db2.gz UXZGTWDWJNZNHS-HXUWFJFHSA-N 2 1 373.541 3.559 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000503122651 942989323 /nfs/dbraw/zinc/98/93/23/942989323.db2.gz ZXBVIWDXDITVEC-RBUKOAKNSA-N 2 1 374.573 3.680 20 0 FHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000271789677 943050675 /nfs/dbraw/zinc/05/06/75/943050675.db2.gz GHVHPEPGXYOYPJ-UHFFFAOYSA-N 2 1 357.885 3.666 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272282202 943128480 /nfs/dbraw/zinc/12/84/80/943128480.db2.gz AETDEWCUPIGNND-JOCHJYFZSA-N 2 1 359.533 3.769 20 0 FHADMP Cc1ccn(C2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000435061822 943135368 /nfs/dbraw/zinc/13/53/68/943135368.db2.gz UNTVXYXDTRHRRB-UHFFFAOYSA-N 2 1 354.542 3.987 20 0 FHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414660070 943136231 /nfs/dbraw/zinc/13/62/31/943136231.db2.gz MDOWUUNCPHEBFM-NRFANRHFSA-N 2 1 363.509 3.740 20 0 FHADMP c1ccc(-c2noc([C@H](c3ccccc3)[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000514673380 943205378 /nfs/dbraw/zinc/20/53/78/943205378.db2.gz JHAFCWKSFCEUHF-HBMCJLEFSA-N 2 1 374.488 3.757 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)c1 ZINC000422733583 943250704 /nfs/dbraw/zinc/25/07/04/943250704.db2.gz BKBGFEXXSCSDDR-DHIUTWEWSA-N 2 1 367.537 3.730 20 0 FHADMP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000503569312 943266449 /nfs/dbraw/zinc/26/64/49/943266449.db2.gz QBHVJUDVMAZBMH-LMVRJCEZSA-N 2 1 360.542 3.591 20 0 FHADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416982945 943267554 /nfs/dbraw/zinc/26/75/54/943267554.db2.gz WPFDQINWMFAVAV-RXVVDRJESA-N 2 1 374.573 3.576 20 0 FHADMP CC(C)(C)c1csc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422747259 943270368 /nfs/dbraw/zinc/27/03/68/943270368.db2.gz YGWKHJZXXSDEHY-QRWLVFNGSA-N 2 1 357.523 3.786 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000514758245 943270857 /nfs/dbraw/zinc/27/08/57/943270857.db2.gz JFXABMRYJSDZMU-UHFFFAOYSA-N 2 1 355.461 3.887 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000514758245 943270862 /nfs/dbraw/zinc/27/08/62/943270862.db2.gz JFXABMRYJSDZMU-UHFFFAOYSA-N 2 1 355.461 3.887 20 0 FHADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000503577238 943272296 /nfs/dbraw/zinc/27/22/96/943272296.db2.gz KWVBIFXNBYCZHE-LJQANCHMSA-N 2 1 353.510 3.607 20 0 FHADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000422775178 943278668 /nfs/dbraw/zinc/27/86/68/943278668.db2.gz AMAOZEUCCMRDMX-QRWLVFNGSA-N 2 1 362.901 3.782 20 0 FHADMP C[C@@]1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCS1 ZINC000628295840 943291097 /nfs/dbraw/zinc/29/10/97/943291097.db2.gz MLNUHIQPOGTJLA-SFTDATJTSA-N 2 1 374.594 3.791 20 0 FHADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCC(C)CC1 ZINC000422851542 943306572 /nfs/dbraw/zinc/30/65/72/943306572.db2.gz XCASCPVLQPSVHN-MQSCRBSSSA-N 2 1 371.569 3.588 20 0 FHADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854212 943306693 /nfs/dbraw/zinc/30/66/93/943306693.db2.gz ZWBXPALGGWNVDZ-RJGXRXQPSA-N 2 1 355.570 3.594 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854212 943306697 /nfs/dbraw/zinc/30/66/97/943306697.db2.gz ZWBXPALGGWNVDZ-RJGXRXQPSA-N 3 1 355.570 3.594 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OCCC(C)C)c1 ZINC000422861353 943309617 /nfs/dbraw/zinc/30/96/17/943309617.db2.gz JEELZJQAIVOBSL-PWRODBHTSA-N 2 1 360.542 3.667 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841646 943311662 /nfs/dbraw/zinc/31/16/62/943311662.db2.gz DJWRQLJXZSMHRC-WOJBJXKFSA-N 2 1 355.457 3.828 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422880984 943315005 /nfs/dbraw/zinc/31/50/05/943315005.db2.gz YDPUQMCHBKZFPZ-IXDOHACOSA-N 2 1 354.441 3.697 20 0 FHADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880239 943315030 /nfs/dbraw/zinc/31/50/30/943315030.db2.gz NRYPARQALIGCKO-GUYCJALGSA-N 2 1 357.325 3.629 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000422879686 943315263 /nfs/dbraw/zinc/31/52/63/943315263.db2.gz WAOKQEAQUXHKDG-HCLVMJGWSA-N 2 1 363.505 3.947 20 0 FHADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422881430 943315688 /nfs/dbraw/zinc/31/56/88/943315688.db2.gz NOJQHGRTQFTRMM-CJMONDIMSA-N 2 1 350.466 3.766 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCCC[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422886553 943318106 /nfs/dbraw/zinc/31/81/06/943318106.db2.gz WXLOJGWCKPLPSE-QIJUGHKUSA-N 2 1 359.558 3.733 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873488 943322575 /nfs/dbraw/zinc/32/25/75/943322575.db2.gz AOUGGPHQKLMXTE-XZYOPWHXSA-N 3 1 371.569 3.590 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873487 943322855 /nfs/dbraw/zinc/32/28/55/943322855.db2.gz AOUGGPHQKLMXTE-QRICJDHISA-N 3 1 371.569 3.590 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422903642 943325654 /nfs/dbraw/zinc/32/56/54/943325654.db2.gz FXRXNQHVFPJZQM-JPYJTQIMSA-N 2 1 360.505 3.829 20 0 FHADMP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422910520 943328979 /nfs/dbraw/zinc/32/89/79/943328979.db2.gz QWQGDOMPJYHUPO-LJQANCHMSA-N 3 1 366.553 3.880 20 0 FHADMP COc1ccc([C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422924412 943333466 /nfs/dbraw/zinc/33/34/66/943333466.db2.gz YFQCAJKSQHCVEV-LEWJYISDSA-N 2 1 358.526 3.817 20 0 FHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422935830 943337907 /nfs/dbraw/zinc/33/79/07/943337907.db2.gz ARHWCGZOLBCARF-MFKMUULPSA-N 2 1 363.246 3.528 20 0 FHADMP Cc1csc(C2([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)n1 ZINC000422940390 943338862 /nfs/dbraw/zinc/33/88/62/943338862.db2.gz NCZAQGCZKYKLHW-VQIMIIECSA-N 2 1 355.507 3.676 20 0 FHADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422938666 943339156 /nfs/dbraw/zinc/33/91/56/943339156.db2.gz DVRGXNBVSAYAMD-KNXALSJPSA-N 2 1 365.930 3.614 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414705555 943339802 /nfs/dbraw/zinc/33/98/02/943339802.db2.gz FLRKXWROBXMZID-DLBZAZTESA-N 2 1 358.530 3.652 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414705557 943340259 /nfs/dbraw/zinc/34/02/59/943340259.db2.gz FLRKXWROBXMZID-IAGOWNOFSA-N 2 1 358.530 3.652 20 0 FHADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154117 943341456 /nfs/dbraw/zinc/34/14/56/943341456.db2.gz IZCOHVOFJXGVKP-OHUMZHCVSA-N 2 1 355.570 3.528 20 0 FHADMP C[N@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC[NH2+]CC1 ZINC000435375317 943356797 /nfs/dbraw/zinc/35/67/97/943356797.db2.gz LXDGHIDTSCTQMW-UHFFFAOYSA-N 2 1 357.885 3.776 20 0 FHADMP C[N@@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC[NH2+]CC1 ZINC000435375317 943356801 /nfs/dbraw/zinc/35/68/01/943356801.db2.gz LXDGHIDTSCTQMW-UHFFFAOYSA-N 2 1 357.885 3.776 20 0 FHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370528 943365053 /nfs/dbraw/zinc/36/50/53/943365053.db2.gz JCRIQGUXNBCQGI-GOEBONIOSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000435372279 943365838 /nfs/dbraw/zinc/36/58/38/943365838.db2.gz JKAMKSSYDNIINY-JKSUJKDBSA-N 2 1 352.507 3.770 20 0 FHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000435372270 943366005 /nfs/dbraw/zinc/36/60/05/943366005.db2.gz JKAMKSSYDNIINY-CVEARBPZSA-N 2 1 352.507 3.770 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387360 943374524 /nfs/dbraw/zinc/37/45/24/943374524.db2.gz ZWIVIXUBVPNAKJ-QUCCMNQESA-N 2 1 353.510 3.837 20 0 FHADMP CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435392717 943379020 /nfs/dbraw/zinc/37/90/20/943379020.db2.gz HPCKOMUTBMAHSF-IBGZPJMESA-N 2 1 359.539 3.995 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[nH+]ccc1N ZINC000423070762 943381665 /nfs/dbraw/zinc/38/16/65/943381665.db2.gz NPCOCUXGFLSBJU-WCQYABFASA-N 2 1 351.281 3.730 20 0 FHADMP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423076639 943385922 /nfs/dbraw/zinc/38/59/22/943385922.db2.gz ZOBNTTDZJJRBKV-XLIONFOSSA-N 2 1 358.869 3.694 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423096528 943392549 /nfs/dbraw/zinc/39/25/49/943392549.db2.gz PDTXJFDCBDJDNA-KJXAQDMKSA-N 2 1 369.553 3.629 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000423096528 943392557 /nfs/dbraw/zinc/39/25/57/943392557.db2.gz PDTXJFDCBDJDNA-KJXAQDMKSA-N 2 1 369.553 3.629 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000423121484 943396816 /nfs/dbraw/zinc/39/68/16/943396816.db2.gz ILNDTMCZQJDEOL-OAHLLOKOSA-N 2 1 356.514 3.910 20 0 FHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423106229 943401790 /nfs/dbraw/zinc/40/17/90/943401790.db2.gz RDTAOJDVHSZTLP-LPHOPBHVSA-N 2 1 365.949 3.577 20 0 FHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423106231 943402135 /nfs/dbraw/zinc/40/21/35/943402135.db2.gz RDTAOJDVHSZTLP-VQIMIIECSA-N 2 1 365.949 3.577 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C)o3)CC2)c1C ZINC000584687632 943406327 /nfs/dbraw/zinc/40/63/27/943406327.db2.gz HACAVXMKNGNDPG-UHFFFAOYSA-N 2 1 357.498 3.705 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C)o3)CC2)c1C ZINC000584687632 943406329 /nfs/dbraw/zinc/40/63/29/943406329.db2.gz HACAVXMKNGNDPG-UHFFFAOYSA-N 2 1 357.498 3.705 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCc1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000503919077 943408746 /nfs/dbraw/zinc/40/87/46/943408746.db2.gz ZEYNJTKQKDZGQA-HXUWFJFHSA-N 2 1 370.516 3.619 20 0 FHADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435437407 943415802 /nfs/dbraw/zinc/41/58/02/943415802.db2.gz KKVSYZLDTQSMBY-OAQYLSRUSA-N 2 1 353.510 3.851 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435440497 943417880 /nfs/dbraw/zinc/41/78/80/943417880.db2.gz XCPHJUQXUJSFQC-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435440497 943417883 /nfs/dbraw/zinc/41/78/83/943417883.db2.gz XCPHJUQXUJSFQC-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CC1(C)[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C[C@@H]1OCc1ccccc1 ZINC000423187101 943434958 /nfs/dbraw/zinc/43/49/58/943434958.db2.gz LSYRISPSBZXBLS-SFTDATJTSA-N 2 1 353.510 3.535 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H](C)c1nc2ccccc2s1 ZINC000423190667 943435543 /nfs/dbraw/zinc/43/55/43/943435543.db2.gz RIUAKWGEVCZLGC-HZPDHXFCSA-N 2 1 354.523 3.953 20 0 FHADMP CC(C)c1ccc([C@H](N)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232023 943453730 /nfs/dbraw/zinc/45/37/30/943453730.db2.gz BSZBKHIVCIVXFR-FUPPJEDESA-N 2 1 365.521 3.655 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCC1 ZINC000414869788 943459502 /nfs/dbraw/zinc/45/95/02/943459502.db2.gz BGQGCMCBFLKHGO-UHFFFAOYSA-N 2 1 350.441 3.649 20 0 FHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423279459 943469702 /nfs/dbraw/zinc/46/97/02/943469702.db2.gz RYEDSTMFCJCNGO-JXFKEZNVSA-N 2 1 352.482 3.547 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000423316710 943473109 /nfs/dbraw/zinc/47/31/09/943473109.db2.gz AIMPXBBAQFOUGP-RLNQZENFSA-N 2 1 356.432 3.851 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000423327902 943481310 /nfs/dbraw/zinc/48/13/10/943481310.db2.gz KPFTZOXQRQMENB-VLSUOOLDSA-N 2 1 365.521 3.852 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318411 943504192 /nfs/dbraw/zinc/50/41/92/943504192.db2.gz YVWXFXRHZWHZIC-JOZSIVFUSA-N 2 1 370.562 3.713 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318411 943504195 /nfs/dbraw/zinc/50/41/95/943504195.db2.gz YVWXFXRHZWHZIC-JOZSIVFUSA-N 2 1 370.562 3.713 20 0 FHADMP CSc1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613872 943515810 /nfs/dbraw/zinc/51/58/10/943515810.db2.gz CGISASRUYLFDNO-IBGZPJMESA-N 2 1 371.550 3.827 20 0 FHADMP CSc1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613872 943515812 /nfs/dbraw/zinc/51/58/12/943515812.db2.gz CGISASRUYLFDNO-IBGZPJMESA-N 2 1 371.550 3.827 20 0 FHADMP Fc1ccc(OCCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435617437 943517567 /nfs/dbraw/zinc/51/75/67/943517567.db2.gz NKVXFUPWRUUKRW-HXUWFJFHSA-N 2 1 357.473 3.634 20 0 FHADMP Fc1ccc(OCCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435617437 943517571 /nfs/dbraw/zinc/51/75/71/943517571.db2.gz NKVXFUPWRUUKRW-HXUWFJFHSA-N 2 1 357.473 3.634 20 0 FHADMP CCOc1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435623598 943519504 /nfs/dbraw/zinc/51/95/04/943519504.db2.gz CPWCNZBDEVIMOU-FQEVSTJZSA-N 2 1 369.509 3.503 20 0 FHADMP CCOc1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435623598 943519509 /nfs/dbraw/zinc/51/95/09/943519509.db2.gz CPWCNZBDEVIMOU-FQEVSTJZSA-N 2 1 369.509 3.503 20 0 FHADMP CC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629492 943528141 /nfs/dbraw/zinc/52/81/41/943528141.db2.gz XSYJCXXHUPFEKV-NRFANRHFSA-N 2 1 351.494 3.903 20 0 FHADMP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423498058 943528690 /nfs/dbraw/zinc/52/86/90/943528690.db2.gz ZUGOIAMOGLURFI-SJLPKXTDSA-N 2 1 350.915 3.653 20 0 FHADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423501924 943530017 /nfs/dbraw/zinc/53/00/17/943530017.db2.gz DLEGTRBHFBXTSM-GRERDSQWSA-N 2 1 361.599 3.609 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347271 943534854 /nfs/dbraw/zinc/53/48/54/943534854.db2.gz VQNIQDMLTOCEJS-RZXSNQJFSA-N 2 1 370.562 3.987 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000423491568 943535872 /nfs/dbraw/zinc/53/58/72/943535872.db2.gz JVHAYILABJYUTN-DLBZAZTESA-N 2 1 355.320 3.504 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533632 943540065 /nfs/dbraw/zinc/54/00/65/943540065.db2.gz YBUYCZVIUXPDJT-AYLRFPOSSA-N 2 1 367.581 3.640 20 0 FHADMP CCn1ccnc1C[N@H+](CCSc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435679591 943540836 /nfs/dbraw/zinc/54/08/36/943540836.db2.gz ALACMXULEFEOIB-LJQANCHMSA-N 2 1 370.566 3.639 20 0 FHADMP CCn1ccnc1C[N@@H+](CCSc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435679591 943540839 /nfs/dbraw/zinc/54/08/39/943540839.db2.gz ALACMXULEFEOIB-LJQANCHMSA-N 2 1 370.566 3.639 20 0 FHADMP Clc1ccc([C@@H]2CC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000423511807 943541540 /nfs/dbraw/zinc/54/15/40/943541540.db2.gz PFARNCXMTLHEID-PPXMBRMGSA-N 2 1 361.961 3.782 20 0 FHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423521749 943544616 /nfs/dbraw/zinc/54/46/16/943544616.db2.gz SWJZKRSCOOUVKQ-QETWGEEDSA-N 2 1 371.569 3.830 20 0 FHADMP Cc1cc2cc([C@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc2cc1C ZINC000423525762 943546727 /nfs/dbraw/zinc/54/67/27/943546727.db2.gz YOXZHFNRXQXZFF-KKXNLOMOSA-N 2 1 355.526 3.917 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423535317 943550282 /nfs/dbraw/zinc/55/02/82/943550282.db2.gz XLKLIXJOAATFOH-STTLMXHVSA-N 2 1 363.549 3.775 20 0 FHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423535317 943550289 /nfs/dbraw/zinc/55/02/89/943550289.db2.gz XLKLIXJOAATFOH-STTLMXHVSA-N 3 1 363.549 3.775 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423535317 943550297 /nfs/dbraw/zinc/55/02/97/943550297.db2.gz XLKLIXJOAATFOH-STTLMXHVSA-N 3 1 363.549 3.775 20 0 FHADMP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423575129 943561338 /nfs/dbraw/zinc/56/13/38/943561338.db2.gz PWNYFYGKJMEVJF-MRXNPFEDSA-N 2 1 359.464 3.609 20 0 FHADMP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423580690 943563722 /nfs/dbraw/zinc/56/37/22/943563722.db2.gz YDCDANJNUITVJX-INIZCTEOSA-N 2 1 359.464 3.609 20 0 FHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000515205275 943566708 /nfs/dbraw/zinc/56/67/08/943566708.db2.gz ZLHWRBIZQHYGSK-ZWKOTPCHSA-N 2 1 372.619 3.611 20 0 FHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435730452 943573514 /nfs/dbraw/zinc/57/35/14/943573514.db2.gz HBLIFUBBHFJRHT-FQEVSTJZSA-N 2 1 358.530 3.667 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000515239408 943590554 /nfs/dbraw/zinc/59/05/54/943590554.db2.gz DYKNEPLCKAMILB-PCCBWWKXSA-N 2 1 355.526 3.778 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000423986430 943674216 /nfs/dbraw/zinc/67/42/16/943674216.db2.gz XZVMQNIZXVUSTA-SFTDATJTSA-N 2 1 357.542 3.523 20 0 FHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000511636503 943706129 /nfs/dbraw/zinc/70/61/29/943706129.db2.gz WVAHXPFFHJQQSX-NRFANRHFSA-N 2 1 359.558 3.839 20 0 FHADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549475061 943741662 /nfs/dbraw/zinc/74/16/62/943741662.db2.gz CEINWNYWAPYGCX-MOXGXCLJSA-N 2 1 369.475 3.703 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc12 ZINC000894287959 943771353 /nfs/dbraw/zinc/77/13/53/943771353.db2.gz MSQUECVAKRKAKG-MAUKXSAKSA-N 2 1 356.495 3.765 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc12 ZINC000894287959 943771356 /nfs/dbraw/zinc/77/13/56/943771356.db2.gz MSQUECVAKRKAKG-MAUKXSAKSA-N 2 1 356.495 3.765 20 0 FHADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777386 943784521 /nfs/dbraw/zinc/78/45/21/943784521.db2.gz IGDBOFPNVOTSDB-HZPDHXFCSA-N 2 1 358.917 3.562 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257428 943796063 /nfs/dbraw/zinc/79/60/63/943796063.db2.gz SUAIWSNOQDUFOW-TWOQFEAHSA-N 2 1 373.566 3.732 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256703 943804766 /nfs/dbraw/zinc/80/47/66/943804766.db2.gz NRSYLGNXAWIHGL-OTWHNJEPSA-N 2 1 363.590 3.514 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288076 943820210 /nfs/dbraw/zinc/82/02/10/943820210.db2.gz KBPGHSXLXBZOEO-AWEZNQCLSA-N 2 1 358.507 3.652 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000424278320 943833341 /nfs/dbraw/zinc/83/33/41/943833341.db2.gz IGSCIHBITATUJB-YJBOKZPZSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]1CC2(C[N@@H+]1Cc1c(F)ccc(Br)c1F)CC[NH2+]CC2 ZINC000424282762 943836005 /nfs/dbraw/zinc/83/60/05/943836005.db2.gz AGWCHNLFDHVROJ-NSHDSACASA-N 2 1 359.258 3.691 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1c(F)ccc(Br)c1F)CC[NH2+]CC2 ZINC000424282762 943836012 /nfs/dbraw/zinc/83/60/12/943836012.db2.gz AGWCHNLFDHVROJ-NSHDSACASA-N 2 1 359.258 3.691 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782767 943847199 /nfs/dbraw/zinc/84/71/99/943847199.db2.gz OUHOEWRCMUYSOU-LSDHHAIUSA-N 2 1 354.441 3.508 20 0 FHADMP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850330 /nfs/dbraw/zinc/85/03/30/943850330.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 2 1 365.512 3.953 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782761 943851135 /nfs/dbraw/zinc/85/11/35/943851135.db2.gz OUHOEWRCMUYSOU-CABCVRRESA-N 2 1 354.441 3.508 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784191 943866638 /nfs/dbraw/zinc/86/66/38/943866638.db2.gz QWWMIIQAICVBMO-DLBZAZTESA-N 2 1 358.917 3.656 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000414907320 943872782 /nfs/dbraw/zinc/87/27/82/943872782.db2.gz QHROIJSGEKROJB-IBGZPJMESA-N 2 1 371.529 3.892 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425432575 943906822 /nfs/dbraw/zinc/90/68/22/943906822.db2.gz KYHMQJRNRZLCFX-IEBWSBKVSA-N 2 1 350.510 3.886 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425432575 943906826 /nfs/dbraw/zinc/90/68/26/943906826.db2.gz KYHMQJRNRZLCFX-IEBWSBKVSA-N 2 1 350.510 3.886 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000424445362 943918796 /nfs/dbraw/zinc/91/87/96/943918796.db2.gz OSQJIXRVBLYCMF-SFHVURJKSA-N 2 1 360.889 3.532 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424435087 943927914 /nfs/dbraw/zinc/92/79/14/943927914.db2.gz KRAKJWANALLKRV-GOSISDBHSA-N 2 1 366.509 3.582 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437583259 943944871 /nfs/dbraw/zinc/94/48/71/943944871.db2.gz ONIYMYJONGPLFC-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437583259 943944874 /nfs/dbraw/zinc/94/48/74/943944874.db2.gz ONIYMYJONGPLFC-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP c1cn(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccn2)cn1 ZINC000364185896 944007596 /nfs/dbraw/zinc/00/75/96/944007596.db2.gz WCCTVNMAMDSLGP-DKUWSORSSA-N 2 1 373.504 3.553 20 0 FHADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647937266 944030403 /nfs/dbraw/zinc/03/04/03/944030403.db2.gz URCUEGNCGSKJDQ-UWJYYQICSA-N 2 1 367.493 3.867 20 0 FHADMP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647937367 944040932 /nfs/dbraw/zinc/04/09/32/944040932.db2.gz WUEXRCHEACYWLM-QMMLZNLJSA-N 2 1 371.569 3.707 20 0 FHADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647937367 944040940 /nfs/dbraw/zinc/04/09/40/944040940.db2.gz WUEXRCHEACYWLM-QMMLZNLJSA-N 2 1 371.569 3.707 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000517145185 944044315 /nfs/dbraw/zinc/04/43/15/944044315.db2.gz WGZNQFRULHQKJC-HXUWFJFHSA-N 2 1 364.489 3.745 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000517145185 944044323 /nfs/dbraw/zinc/04/43/23/944044323.db2.gz WGZNQFRULHQKJC-HXUWFJFHSA-N 2 1 364.489 3.745 20 0 FHADMP C[N@H+](Cc1cccc2ccccc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711770988 944097688 /nfs/dbraw/zinc/09/76/88/944097688.db2.gz GZDUILCIXLHRQK-XMMPIXPASA-N 2 1 360.501 3.909 20 0 FHADMP C[N@@H+](Cc1cccc2ccccc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711770988 944097695 /nfs/dbraw/zinc/09/76/95/944097695.db2.gz GZDUILCIXLHRQK-XMMPIXPASA-N 2 1 360.501 3.909 20 0 FHADMP C[NH+](Cc1cccc2ccccc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711770988 944097701 /nfs/dbraw/zinc/09/77/01/944097701.db2.gz GZDUILCIXLHRQK-XMMPIXPASA-N 2 1 360.501 3.909 20 0 FHADMP C[NH+](Cc1cccc2ccccc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711770988 944097703 /nfs/dbraw/zinc/09/77/03/944097703.db2.gz GZDUILCIXLHRQK-XMMPIXPASA-N 2 1 360.501 3.909 20 0 FHADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000437771211 944099864 /nfs/dbraw/zinc/09/98/64/944099864.db2.gz IESXDCWFAAXQPO-SMIHKQSGSA-N 2 1 364.533 3.853 20 0 FHADMP CCC[C@H](C)[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000517245537 944138874 /nfs/dbraw/zinc/13/88/74/944138874.db2.gz UHMWNSQAPVONJP-RXVVDRJESA-N 2 1 363.590 3.610 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000500133549 944151027 /nfs/dbraw/zinc/15/10/27/944151027.db2.gz QEVIWZZOMODUMZ-OALUTQOASA-N 2 1 374.573 3.591 20 0 FHADMP c1ccc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000436264415 944155768 /nfs/dbraw/zinc/15/57/68/944155768.db2.gz KGLMQDPARZUKDX-DHIUTWEWSA-N 2 1 350.506 3.945 20 0 FHADMP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515755670 944183087 /nfs/dbraw/zinc/18/30/87/944183087.db2.gz YORQWGIAYPRPPY-RTBURBONSA-N 2 1 359.558 3.701 20 0 FHADMP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515755668 944183214 /nfs/dbraw/zinc/18/32/14/944183214.db2.gz YORQWGIAYPRPPY-OALUTQOASA-N 2 1 359.558 3.701 20 0 FHADMP [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000418137530 944191319 /nfs/dbraw/zinc/19/13/19/944191319.db2.gz DZFFZOFUEJZPML-RTWAWAEBSA-N 2 1 372.557 3.563 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000436309879 944207717 /nfs/dbraw/zinc/20/77/17/944207717.db2.gz QCHALENWINNVAK-RZDIXWSQSA-N 2 1 356.432 3.652 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000438987986 944235696 /nfs/dbraw/zinc/23/56/96/944235696.db2.gz VVZPGZMVSILEOY-OAHLLOKOSA-N 2 1 359.514 3.711 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000550127917 944244326 /nfs/dbraw/zinc/24/43/26/944244326.db2.gz RYXVXDWHOXTCRU-IBGZPJMESA-N 2 1 357.542 3.553 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000518413323 944359776 /nfs/dbraw/zinc/35/97/76/944359776.db2.gz XXMMDMQUVNAXON-ZRBLBEILSA-N 3 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000518413323 944359782 /nfs/dbraw/zinc/35/97/82/944359782.db2.gz XXMMDMQUVNAXON-ZRBLBEILSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000518413323 944359785 /nfs/dbraw/zinc/35/97/85/944359785.db2.gz XXMMDMQUVNAXON-ZRBLBEILSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000518413323 944359793 /nfs/dbraw/zinc/35/97/93/944359793.db2.gz XXMMDMQUVNAXON-ZRBLBEILSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000436483121 944368305 /nfs/dbraw/zinc/36/83/05/944368305.db2.gz CPKJNEQXJNIMLR-VJBMBRPKSA-N 2 1 352.522 3.575 20 0 FHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000436483121 944368314 /nfs/dbraw/zinc/36/83/14/944368314.db2.gz CPKJNEQXJNIMLR-VJBMBRPKSA-N 2 1 352.522 3.575 20 0 FHADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000436483121 944368322 /nfs/dbraw/zinc/36/83/22/944368322.db2.gz CPKJNEQXJNIMLR-VJBMBRPKSA-N 2 1 352.522 3.575 20 0 FHADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000436483121 944368331 /nfs/dbraw/zinc/36/83/31/944368331.db2.gz CPKJNEQXJNIMLR-VJBMBRPKSA-N 2 1 352.522 3.575 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccnc(N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837162 944393442 /nfs/dbraw/zinc/39/34/42/944393442.db2.gz NBVOHLWGNMYIDG-JOCHJYFZSA-N 2 1 364.537 3.786 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000426300205 944397319 /nfs/dbraw/zinc/39/73/19/944397319.db2.gz CULWSTPKWYPPLS-GBESFXJTSA-N 2 1 370.566 3.704 20 0 FHADMP Cn1cnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000664838202 944400963 /nfs/dbraw/zinc/40/09/63/944400963.db2.gz RNNAFOAXOXIHEU-NRFANRHFSA-N 2 1 352.526 3.543 20 0 FHADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000438195448 944409842 /nfs/dbraw/zinc/40/98/42/944409842.db2.gz AKIRSXBXDDFDDM-ZWKOTPCHSA-N 2 1 356.485 3.767 20 0 FHADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000438195448 944409845 /nfs/dbraw/zinc/40/98/45/944409845.db2.gz AKIRSXBXDDFDDM-ZWKOTPCHSA-N 2 1 356.485 3.767 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390581676 944514085 /nfs/dbraw/zinc/51/40/85/944514085.db2.gz DSFSVNSEORKZGA-CTNGQTDRSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390581676 944514087 /nfs/dbraw/zinc/51/40/87/944514087.db2.gz DSFSVNSEORKZGA-CTNGQTDRSA-N 2 1 352.526 3.688 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@H]21 ZINC000516292858 944674892 /nfs/dbraw/zinc/67/48/92/944674892.db2.gz AAAPRSGDIZCZRZ-NCYKPQTJSA-N 2 1 374.488 3.885 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@H]21 ZINC000516292858 944674896 /nfs/dbraw/zinc/67/48/96/944674896.db2.gz AAAPRSGDIZCZRZ-NCYKPQTJSA-N 2 1 374.488 3.885 20 0 FHADMP COC(=O)C1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426035203 944680341 /nfs/dbraw/zinc/68/03/41/944680341.db2.gz LDFSPLAQYYFPFV-FNOBOGDDSA-N 2 1 358.526 3.609 20 0 FHADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000311357898 944699934 /nfs/dbraw/zinc/69/99/34/944699934.db2.gz FDLUEQOLNVRGKD-GOSISDBHSA-N 2 1 369.475 3.515 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000162740165 944704044 /nfs/dbraw/zinc/70/40/44/944704044.db2.gz PJIZJSWWNGYCOI-SFHVURJKSA-N 2 1 367.493 3.816 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390698239 944734226 /nfs/dbraw/zinc/73/42/26/944734226.db2.gz SFRLLPHBECFHSG-XVAXZDLZSA-N 2 1 372.553 3.999 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390698239 944734230 /nfs/dbraw/zinc/73/42/30/944734230.db2.gz SFRLLPHBECFHSG-XVAXZDLZSA-N 2 1 372.553 3.999 20 0 FHADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cc[nH+]c3ccsc32)[C@@H]1c1cnn(C)c1 ZINC000509601097 944748566 /nfs/dbraw/zinc/74/85/66/944748566.db2.gz NZCHYMXCMHFILN-HNAYVOBHSA-N 2 1 369.538 3.939 20 0 FHADMP CC[N@H+]1CCC[C@@H](CN(C)c2cc[nH+]c3ccsc32)[C@@H]1c1cnn(C)c1 ZINC000509601097 944748572 /nfs/dbraw/zinc/74/85/72/944748572.db2.gz NZCHYMXCMHFILN-HNAYVOBHSA-N 2 1 369.538 3.939 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000438560686 944770164 /nfs/dbraw/zinc/77/01/64/944770164.db2.gz HJHKHARPUBNFMU-XLIONFOSSA-N 2 1 357.542 3.639 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195215944 944830943 /nfs/dbraw/zinc/83/09/43/944830943.db2.gz JKWUWVGIGXTKBE-RXVVDRJESA-N 2 1 367.578 3.591 20 0 FHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000439678571 944862121 /nfs/dbraw/zinc/86/21/21/944862121.db2.gz CYLZZBBCNGZRNM-NRFANRHFSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884744 944903711 /nfs/dbraw/zinc/90/37/11/944903711.db2.gz MNICIHSKXDDHMB-APWZRJJASA-N 2 1 365.949 3.571 20 0 FHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884744 944903716 /nfs/dbraw/zinc/90/37/16/944903716.db2.gz MNICIHSKXDDHMB-APWZRJJASA-N 2 1 365.949 3.571 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884744 944903725 /nfs/dbraw/zinc/90/37/25/944903725.db2.gz MNICIHSKXDDHMB-APWZRJJASA-N 2 1 365.949 3.571 20 0 FHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010707 944928649 /nfs/dbraw/zinc/92/86/49/944928649.db2.gz QFLCNIYNYZCWOR-ZBFHGGJFSA-N 2 1 360.395 3.683 20 0 FHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010707 944928657 /nfs/dbraw/zinc/92/86/57/944928657.db2.gz QFLCNIYNYZCWOR-ZBFHGGJFSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010707 944928665 /nfs/dbraw/zinc/92/86/65/944928665.db2.gz QFLCNIYNYZCWOR-ZBFHGGJFSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010707 944928669 /nfs/dbraw/zinc/92/86/69/944928669.db2.gz QFLCNIYNYZCWOR-ZBFHGGJFSA-N 2 1 360.395 3.683 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccn(C(F)F)c2=O)cc1 ZINC000638769400 944975361 /nfs/dbraw/zinc/97/53/61/944975361.db2.gz OUJKFEYNXOCIGD-CYBMUJFWSA-N 2 1 358.392 3.588 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518055834 944976224 /nfs/dbraw/zinc/97/62/24/944976224.db2.gz SBYWWGIPTYWYIR-BGYRXZFFSA-N 2 1 371.569 3.770 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000437075619 944993576 /nfs/dbraw/zinc/99/35/76/944993576.db2.gz HDDGQGDCXVMNDW-KNQAVFIVSA-N 2 1 371.569 3.756 20 0 FHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439842658 945022833 /nfs/dbraw/zinc/02/28/33/945022833.db2.gz OSYUOVOMYLMSKH-NRFANRHFSA-N 2 1 355.526 3.670 20 0 FHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000531191672 945033599 /nfs/dbraw/zinc/03/35/99/945033599.db2.gz MQJGRYFRDKZSQP-SJLPKXTDSA-N 2 1 364.530 3.703 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(OC)cc32)[C@H](C)C1 ZINC000467353176 945052194 /nfs/dbraw/zinc/05/21/94/945052194.db2.gz IYSMJBZMKCUUEF-XPGWFJOJSA-N 2 1 364.505 3.548 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000660695325 945399108 /nfs/dbraw/zinc/39/91/08/945399108.db2.gz OHXUKRHJXPHRGT-UHFFFAOYSA-N 2 1 370.537 3.681 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000660697405 945402906 /nfs/dbraw/zinc/40/29/06/945402906.db2.gz ZJBILPROWPVXQY-UHFFFAOYSA-N 2 1 350.506 3.829 20 0 FHADMP CSc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000507660389 945430484 /nfs/dbraw/zinc/43/04/84/945430484.db2.gz ZIDIKPBBGSWYQZ-UHFFFAOYSA-N 2 1 361.555 3.687 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccnn2C(C)C)CC1 ZINC000280978205 945486105 /nfs/dbraw/zinc/48/61/05/945486105.db2.gz UGXRJGHUMSCGMK-QGZVFWFLSA-N 2 1 373.520 3.596 20 0 FHADMP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684460 /nfs/dbraw/zinc/68/44/60/945684460.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 2 1 363.496 3.703 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(OCc2cccnc2)c1 ZINC000443986464 945693125 /nfs/dbraw/zinc/69/31/25/945693125.db2.gz HIDOHFJZZUDHNG-WOJBJXKFSA-N 2 1 369.509 3.632 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612724 945707800 /nfs/dbraw/zinc/70/78/00/945707800.db2.gz NSSRFXWKGADHDC-GDBMZVCRSA-N 2 1 366.431 3.819 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714142 945746618 /nfs/dbraw/zinc/74/66/18/945746618.db2.gz RGXOZWLEGJYABA-GHTZIAJQSA-N 2 1 353.510 3.636 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714144 945746819 /nfs/dbraw/zinc/74/68/19/945746819.db2.gz RGXOZWLEGJYABA-RXVVDRJESA-N 2 1 353.510 3.636 20 0 FHADMP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110792339 945758673 /nfs/dbraw/zinc/75/86/73/945758673.db2.gz UGESDCQTGMBRAL-LJQANCHMSA-N 2 1 371.569 3.668 20 0 FHADMP COc1cc(OC)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726870 945783870 /nfs/dbraw/zinc/78/38/70/945783870.db2.gz CGHSEMFNNPNQFA-JXFKEZNVSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726870 945783878 /nfs/dbraw/zinc/78/38/78/945783878.db2.gz CGHSEMFNNPNQFA-JXFKEZNVSA-N 2 1 372.484 3.843 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1csc(C(F)(F)F)c1 ZINC000925092679 945810838 /nfs/dbraw/zinc/81/08/38/945810838.db2.gz CCSKWLSNXZGVQM-OLZOCXBDSA-N 2 1 362.461 3.918 20 0 FHADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000281727519 945824902 /nfs/dbraw/zinc/82/49/02/945824902.db2.gz PPKUSOQQRLNRGV-VVIORFSUSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000281727519 945824906 /nfs/dbraw/zinc/82/49/06/945824906.db2.gz PPKUSOQQRLNRGV-VVIORFSUSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000281727519 945824916 /nfs/dbraw/zinc/82/49/16/945824916.db2.gz PPKUSOQQRLNRGV-VVIORFSUSA-N 2 1 360.542 3.685 20 0 FHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)c2)CC1 ZINC000440828525 945941064 /nfs/dbraw/zinc/94/10/64/945941064.db2.gz GZXPCCOLPAZLMS-UHFFFAOYSA-N 2 1 366.431 3.950 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)C1 ZINC000440824693 945958680 /nfs/dbraw/zinc/95/86/80/945958680.db2.gz UUVYSAQMEBIYGB-CQSZACIVSA-N 2 1 366.431 3.950 20 0 FHADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188117843 945975829 /nfs/dbraw/zinc/97/58/29/945975829.db2.gz DWDLKFIAJBTMHI-HXUWFJFHSA-N 2 1 358.505 3.986 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000522893917 946074878 /nfs/dbraw/zinc/07/48/78/946074878.db2.gz ICTYQVALXZJIPS-RXVVDRJESA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000522893917 946074891 /nfs/dbraw/zinc/07/48/91/946074891.db2.gz ICTYQVALXZJIPS-RXVVDRJESA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000522893917 946074901 /nfs/dbraw/zinc/07/49/01/946074901.db2.gz ICTYQVALXZJIPS-RXVVDRJESA-N 2 1 357.542 3.552 20 0 FHADMP CCOC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]2CCCC[C@@H]12 ZINC001167989291 946299970 /nfs/dbraw/zinc/29/99/70/946299970.db2.gz ZIZJKENNADHWSS-FTXAJZQOSA-N 2 1 374.569 3.693 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930399 946305121 /nfs/dbraw/zinc/30/51/21/946305121.db2.gz RCUNELHRPLQIGI-FGZHOGPDSA-N 2 1 354.538 3.978 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930399 946305132 /nfs/dbraw/zinc/30/51/32/946305132.db2.gz RCUNELHRPLQIGI-FGZHOGPDSA-N 2 1 354.538 3.978 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185838 946306544 /nfs/dbraw/zinc/30/65/44/946306544.db2.gz BLSTXHCXIPNDKU-BAGYTPMASA-N 2 1 374.569 3.937 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469891711 946319402 /nfs/dbraw/zinc/31/94/02/946319402.db2.gz SROARYVHNVSNDX-ZOBUZTSGSA-N 2 1 352.906 3.697 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469891711 946319410 /nfs/dbraw/zinc/31/94/10/946319410.db2.gz SROARYVHNVSNDX-ZOBUZTSGSA-N 2 1 352.906 3.697 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000248441136 946342860 /nfs/dbraw/zinc/34/28/60/946342860.db2.gz JZLGIRZKEOAMLU-XLIONFOSSA-N 2 1 372.509 3.719 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067937 946428408 /nfs/dbraw/zinc/42/84/08/946428408.db2.gz VGLBHWPNHUVBSB-CMKODMSKSA-N 2 1 358.526 3.703 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475497127 946437737 /nfs/dbraw/zinc/43/77/37/946437737.db2.gz IRRUTZCMHMFRMM-SVMVAKDDSA-N 2 1 369.553 3.550 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475494237 946441952 /nfs/dbraw/zinc/44/19/52/946441952.db2.gz IRRUTZCMHMFRMM-KGVIQGDOSA-N 2 1 369.553 3.550 20 0 FHADMP C[C@H]1CC([N@H+]2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068489 946492924 /nfs/dbraw/zinc/49/29/24/946492924.db2.gz ZWTQOSCBSVSWOA-SFYKDHMMSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520365032 946501873 /nfs/dbraw/zinc/50/18/73/946501873.db2.gz HCWSVQPXZXNGRY-GOSISDBHSA-N 2 1 357.542 3.523 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000475512656 946538435 /nfs/dbraw/zinc/53/84/35/946538435.db2.gz ZNTMJLVVKXNCNR-CYBMUJFWSA-N 2 1 372.270 3.584 20 0 FHADMP Fc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394365 946548976 /nfs/dbraw/zinc/54/89/76/946548976.db2.gz OPCCBLMJGDHMQE-KKSFZXQISA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394365 946548983 /nfs/dbraw/zinc/54/89/83/946548983.db2.gz OPCCBLMJGDHMQE-KKSFZXQISA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394365 946548984 /nfs/dbraw/zinc/54/89/84/946548984.db2.gz OPCCBLMJGDHMQE-KKSFZXQISA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394365 946548985 /nfs/dbraw/zinc/54/89/85/946548985.db2.gz OPCCBLMJGDHMQE-KKSFZXQISA-N 2 1 355.457 3.929 20 0 FHADMP CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423028540 946566450 /nfs/dbraw/zinc/56/64/50/946566450.db2.gz GQNVHCDYTWPBTC-JAXLGGSGSA-N 2 1 371.569 3.538 20 0 FHADMP Cc1nnc([C@H]2CCC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058209 946606637 /nfs/dbraw/zinc/60/66/37/946606637.db2.gz PCYCNKFTBDGLDH-JWWGGVBKSA-N 2 1 368.525 3.999 20 0 FHADMP Cc1nnc([C@H]2CCC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058209 946606644 /nfs/dbraw/zinc/60/66/44/946606644.db2.gz PCYCNKFTBDGLDH-JWWGGVBKSA-N 2 1 368.525 3.999 20 0 FHADMP Cc1nnc([C@H]2CCC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058209 946606651 /nfs/dbraw/zinc/60/66/51/946606651.db2.gz PCYCNKFTBDGLDH-JWWGGVBKSA-N 2 1 368.525 3.999 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168058732 946625153 /nfs/dbraw/zinc/62/51/53/946625153.db2.gz BZCKYTTTZNAVDG-FJWRRNOESA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168058732 946625157 /nfs/dbraw/zinc/62/51/57/946625157.db2.gz BZCKYTTTZNAVDG-FJWRRNOESA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168058732 946625163 /nfs/dbraw/zinc/62/51/63/946625163.db2.gz BZCKYTTTZNAVDG-FJWRRNOESA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@H]1CC[C@@H](C)[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168058732 946625171 /nfs/dbraw/zinc/62/51/71/946625171.db2.gz BZCKYTTTZNAVDG-FJWRRNOESA-N 2 1 358.526 3.702 20 0 FHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000112657652 946713018 /nfs/dbraw/zinc/71/30/18/946713018.db2.gz CFYQKVMQMPXUFY-OAQYLSRUSA-N 2 1 352.526 3.816 20 0 FHADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270481 946802876 /nfs/dbraw/zinc/80/28/76/946802876.db2.gz RDHHZQQCEYMNKG-QAPCUYQASA-N 2 1 369.475 3.990 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281250 946816075 /nfs/dbraw/zinc/81/60/75/946816075.db2.gz CMMZPCZWJJAEFD-WMZOPIPTSA-N 2 1 369.475 3.991 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284916 946824014 /nfs/dbraw/zinc/82/40/14/946824014.db2.gz KTMSXHYHCJRXAK-DOTOQJQBSA-N 2 1 355.448 3.601 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288368 946826542 /nfs/dbraw/zinc/82/65/42/946826542.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288368 946826553 /nfs/dbraw/zinc/82/65/53/946826553.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288368 946826563 /nfs/dbraw/zinc/82/65/63/946826563.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288368 946826567 /nfs/dbraw/zinc/82/65/67/946826567.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288368 946826576 /nfs/dbraw/zinc/82/65/76/946826576.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 2 1 363.549 3.619 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975843 946873994 /nfs/dbraw/zinc/87/39/94/946873994.db2.gz GPXHCCUOGICSRH-RBSFLKMASA-N 2 1 367.896 3.518 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975843 946873999 /nfs/dbraw/zinc/87/39/99/946873999.db2.gz GPXHCCUOGICSRH-RBSFLKMASA-N 2 1 367.896 3.518 20 0 FHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347796 946878361 /nfs/dbraw/zinc/87/83/61/946878361.db2.gz MHPXRUOJRNZUJW-BASYENTBSA-N 2 1 367.331 3.728 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349017 946888825 /nfs/dbraw/zinc/88/88/25/946888825.db2.gz ZBEYQMFRYMOGQG-JQVVWYNYSA-N 2 1 367.493 3.592 20 0 FHADMP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1C ZINC001167994776 946889736 /nfs/dbraw/zinc/88/97/36/946889736.db2.gz OEYJWCQDKFGFTH-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1C ZINC001167994776 946889747 /nfs/dbraw/zinc/88/97/47/946889747.db2.gz OEYJWCQDKFGFTH-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348539 946892945 /nfs/dbraw/zinc/89/29/45/946892945.db2.gz HQQRIDZPYZRVBP-XCRHUMRWSA-N 2 1 373.324 3.591 20 0 FHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348390 946893108 /nfs/dbraw/zinc/89/31/08/946893108.db2.gz BVINLWAXGZSNSM-AETAKHFUSA-N 2 1 367.331 3.728 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348537 946893170 /nfs/dbraw/zinc/89/31/70/946893170.db2.gz HQQRIDZPYZRVBP-MZMPZRCHSA-N 2 1 373.324 3.591 20 0 FHADMP CC(C)OCC[NH+](CCOC(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995348 946913892 /nfs/dbraw/zinc/91/38/92/946913892.db2.gz BWIZDSLMFATFCI-WCRBZPEASA-N 2 1 352.563 3.544 20 0 FHADMP CC(C)OCC[NH+](CCOC(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995348 946913902 /nfs/dbraw/zinc/91/39/02/946913902.db2.gz BWIZDSLMFATFCI-WCRBZPEASA-N 2 1 352.563 3.544 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC3 ZINC000511907345 946923094 /nfs/dbraw/zinc/92/30/94/946923094.db2.gz LGJGGSAMYYSKDX-AWEZNQCLSA-N 2 1 354.523 3.642 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360705 946928014 /nfs/dbraw/zinc/92/80/14/946928014.db2.gz OGUJMXUNENAKCN-KBRIMQKVSA-N 2 1 373.324 3.733 20 0 FHADMP CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766022 947201544 /nfs/dbraw/zinc/20/15/44/947201544.db2.gz GGGCAUBDNDMZHU-FPOVZHCZSA-N 2 1 371.569 3.524 20 0 FHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560040 947295656 /nfs/dbraw/zinc/29/56/56/947295656.db2.gz JFXJXDZAUFIUIL-MUGJNUQGSA-N 2 1 371.569 3.803 20 0 FHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560040 947295668 /nfs/dbraw/zinc/29/56/68/947295668.db2.gz JFXJXDZAUFIUIL-MUGJNUQGSA-N 2 1 371.569 3.803 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)[C@H](C)C1 ZINC000249612819 947330693 /nfs/dbraw/zinc/33/06/93/947330693.db2.gz SIRVJQSGVHFBRS-QMMLZNLJSA-N 2 1 360.542 3.799 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188221529 947458201 /nfs/dbraw/zinc/45/82/01/947458201.db2.gz UXNRMFPYRYPCET-CQSZACIVSA-N 2 1 350.304 3.955 20 0 FHADMP FC(F)(F)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256124 947678341 /nfs/dbraw/zinc/67/83/41/947678341.db2.gz GQFWGCDLYXWPQQ-IRXDYDNUSA-N 2 1 354.416 3.753 20 0 FHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265079 947683728 /nfs/dbraw/zinc/68/37/28/947683728.db2.gz WATJTVDBSVTNQF-FUHWJXTLSA-N 2 1 371.550 3.941 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264582 947683980 /nfs/dbraw/zinc/68/39/80/947683980.db2.gz RIJUZZLELLXYAY-DOTOQJQBSA-N 2 1 357.523 3.632 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000189343996 947693913 /nfs/dbraw/zinc/69/39/13/947693913.db2.gz DEMUWBYHPKAYHN-DYESRHJHSA-N 2 1 355.526 3.770 20 0 FHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291710 947713458 /nfs/dbraw/zinc/71/34/58/947713458.db2.gz XWUKVEJQZOWOPR-UKRRQHHQSA-N 2 1 367.896 3.518 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)cc1 ZINC000662293698 947716706 /nfs/dbraw/zinc/71/67/06/947716706.db2.gz MEAWSGFWXLRUIL-QFIPXVFZSA-N 2 1 365.521 3.872 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(SC)cc1OC ZINC000663347070 947814625 /nfs/dbraw/zinc/81/46/25/947814625.db2.gz YZDPJRNGONDGBC-INIZCTEOSA-N 2 1 364.555 3.637 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(SC)cc1OC ZINC000663347070 947814633 /nfs/dbraw/zinc/81/46/33/947814633.db2.gz YZDPJRNGONDGBC-INIZCTEOSA-N 2 1 364.555 3.637 20 0 FHADMP c1cc(COc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2)ccn1 ZINC000663347589 947820394 /nfs/dbraw/zinc/82/03/94/947820394.db2.gz PMPJAMXGLAYDDQ-JOCHJYFZSA-N 2 1 365.521 3.872 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000663359471 947847406 /nfs/dbraw/zinc/84/74/06/947847406.db2.gz HFQQQTDCRCOILZ-OAQYLSRUSA-N 2 1 365.521 3.541 20 0 FHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000165288081 947875109 /nfs/dbraw/zinc/87/51/09/947875109.db2.gz CNIGUUSBWVFFAW-NQIIRXRSSA-N 2 1 365.521 3.860 20 0 FHADMP Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662517542 947889042 /nfs/dbraw/zinc/88/90/42/947889042.db2.gz JAUPHAZIWWNEBB-OKILXGFUSA-N 2 1 367.440 3.789 20 0 FHADMP Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662517542 947889050 /nfs/dbraw/zinc/88/90/50/947889050.db2.gz JAUPHAZIWWNEBB-OKILXGFUSA-N 2 1 367.440 3.789 20 0 FHADMP Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000662517541 947889198 /nfs/dbraw/zinc/88/91/98/947889198.db2.gz JAUPHAZIWWNEBB-KBPBESRZSA-N 2 1 367.440 3.789 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675949 947974115 /nfs/dbraw/zinc/97/41/15/947974115.db2.gz RHTIVPDGZILVMD-VBKZILBWSA-N 2 1 373.447 3.978 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675949 947974120 /nfs/dbraw/zinc/97/41/20/947974120.db2.gz RHTIVPDGZILVMD-VBKZILBWSA-N 2 1 373.447 3.978 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466154 948050983 /nfs/dbraw/zinc/05/09/83/948050983.db2.gz ORJSBZIRQRZNBY-NFBKMPQASA-N 2 1 369.597 3.794 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466154 948050991 /nfs/dbraw/zinc/05/09/91/948050991.db2.gz ORJSBZIRQRZNBY-NFBKMPQASA-N 3 1 369.597 3.794 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466154 948050999 /nfs/dbraw/zinc/05/09/99/948050999.db2.gz ORJSBZIRQRZNBY-NFBKMPQASA-N 3 1 369.597 3.794 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470142 948064677 /nfs/dbraw/zinc/06/46/77/948064677.db2.gz SLPOPXNNOJIETD-FUHWJXTLSA-N 2 1 370.541 3.743 20 0 FHADMP CC(C)c1ccc2ncnc(NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000663481471 948087822 /nfs/dbraw/zinc/08/78/22/948087822.db2.gz JZAFZYGZCXIJIM-UHFFFAOYSA-N 2 1 367.541 3.724 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001167826242 948128621 /nfs/dbraw/zinc/12/86/21/948128621.db2.gz NFQWUHIWXJXLEQ-QGZVFWFLSA-N 2 1 356.514 3.648 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000432353031 948200434 /nfs/dbraw/zinc/20/04/34/948200434.db2.gz HAKVSARWGYPGTN-HXUWFJFHSA-N 2 1 368.521 3.856 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001167833366 948220789 /nfs/dbraw/zinc/22/07/89/948220789.db2.gz AJTYVMXPDHSBNM-ICSRJNTNSA-N 2 1 350.547 3.950 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001167834059 948246564 /nfs/dbraw/zinc/24/65/64/948246564.db2.gz HDTWOCAVKCGSMU-BZSNNMDCSA-N 2 1 355.567 3.875 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001167834740 948275172 /nfs/dbraw/zinc/27/51/72/948275172.db2.gz MPFNGHSCNPRZNW-ZWKOTPCHSA-N 2 1 355.567 3.828 20 0 FHADMP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512050591 948308755 /nfs/dbraw/zinc/30/87/55/948308755.db2.gz DCTOUGGHBQPCKH-IEBWSBKVSA-N 2 1 359.539 3.993 20 0 FHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411356 948357121 /nfs/dbraw/zinc/35/71/21/948357121.db2.gz XMSRWMAQYLFQFV-YJBOKZPZSA-N 2 1 354.922 3.890 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411356 948357124 /nfs/dbraw/zinc/35/71/24/948357124.db2.gz XMSRWMAQYLFQFV-YJBOKZPZSA-N 2 1 354.922 3.890 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416408 948369038 /nfs/dbraw/zinc/36/90/38/948369038.db2.gz GVUNXZCLVIZWML-UONOGXRCSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416408 948369043 /nfs/dbraw/zinc/36/90/43/948369043.db2.gz GVUNXZCLVIZWML-UONOGXRCSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@@H]1C[N@@H+](CCCN[C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422265 948384147 /nfs/dbraw/zinc/38/41/47/948384147.db2.gz DDNOELNRJKVQSH-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422265 948384164 /nfs/dbraw/zinc/38/41/64/948384164.db2.gz DDNOELNRJKVQSH-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422265 948384170 /nfs/dbraw/zinc/38/41/70/948384170.db2.gz DDNOELNRJKVQSH-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424070 948387442 /nfs/dbraw/zinc/38/74/42/948387442.db2.gz MTYHNMHGPVAQRX-PBHICJAKSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424070 948387447 /nfs/dbraw/zinc/38/74/47/948387447.db2.gz MTYHNMHGPVAQRX-PBHICJAKSA-N 2 1 354.947 3.967 20 0 FHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372608 948425075 /nfs/dbraw/zinc/42/50/75/948425075.db2.gz MTSXIWLSHLGSGN-GOEBONIOSA-N 2 1 358.917 3.969 20 0 FHADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000512128281 948501131 /nfs/dbraw/zinc/50/11/31/948501131.db2.gz GJODLBLEIYWLOZ-HDICACEKSA-N 2 1 353.510 3.543 20 0 FHADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152415798 948566717 /nfs/dbraw/zinc/56/67/17/948566717.db2.gz UOEGFPDYAOISAI-GUYCJALGSA-N 2 1 365.315 3.737 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000520732910 948761355 /nfs/dbraw/zinc/76/13/55/948761355.db2.gz WJICHCKCTAVHNV-HXUWFJFHSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000520732910 948761367 /nfs/dbraw/zinc/76/13/67/948761367.db2.gz WJICHCKCTAVHNV-HXUWFJFHSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000520732910 948761375 /nfs/dbraw/zinc/76/13/75/948761375.db2.gz WJICHCKCTAVHNV-HXUWFJFHSA-N 2 1 357.542 3.665 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn4ccccc4n3)CC2)oc1C ZINC000566019917 370704877 /nfs/dbraw/zinc/70/48/77/370704877.db2.gz XCIINWLMCSOPAC-MRXNPFEDSA-N 2 1 367.497 3.502 20 0 FHADMP COC(=O)C1CC[NH+](CCCNc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000603857551 520381169 /nfs/dbraw/zinc/38/11/69/520381169.db2.gz IKCNOIJJZOJXAO-UHFFFAOYSA-N 2 1 355.482 3.539 20 0 FHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000221925127 567990092 /nfs/dbraw/zinc/99/00/92/567990092.db2.gz WPTSZSHYOCGSKY-ZDUSSCGKSA-N 2 1 360.283 3.672 20 0 FHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000221925127 567990093 /nfs/dbraw/zinc/99/00/93/567990093.db2.gz WPTSZSHYOCGSKY-ZDUSSCGKSA-N 2 1 360.283 3.672 20 0 FHADMP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603408218 568097590 /nfs/dbraw/zinc/09/75/90/568097590.db2.gz SVKRYWNDLGZUFU-QGZVFWFLSA-N 2 1 369.513 3.781 20 0 FHADMP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000563097499 568150015 /nfs/dbraw/zinc/15/00/15/568150015.db2.gz VICXGNQXXCMPQR-GOSISDBHSA-N 2 1 372.340 3.592 20 0 FHADMP Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Oc1ccncc1 ZINC000604220013 568230405 /nfs/dbraw/zinc/23/04/05/568230405.db2.gz GHGUATNJMFPSKQ-RTBURBONSA-N 2 1 351.450 3.539 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000604418317 568276301 /nfs/dbraw/zinc/27/63/01/568276301.db2.gz QWASNURTQPSYSJ-MAUKXSAKSA-N 2 1 374.447 3.812 20 0 FHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000604774161 568363970 /nfs/dbraw/zinc/36/39/70/568363970.db2.gz AVGGQNLBDLMKCO-CZUORRHYSA-N 2 1 373.463 3.988 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429632 568430052 /nfs/dbraw/zinc/43/00/52/568430052.db2.gz PUSCSENKFXCOSG-WMLDXEAASA-N 2 1 354.947 3.967 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429632 568430054 /nfs/dbraw/zinc/43/00/54/568430054.db2.gz PUSCSENKFXCOSG-WMLDXEAASA-N 2 1 354.947 3.967 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435383 608550524 /nfs/dbraw/zinc/55/05/24/608550524.db2.gz WNZHKMUXGUTXSM-INIZCTEOSA-N 2 1 364.497 3.511 20 0 FHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N(C)C)cc[nH+]2)CC3)cs1 ZINC001164692595 719808239 /nfs/dbraw/zinc/80/82/39/719808239.db2.gz KMQFHHFPRWPZBM-UHFFFAOYSA-N 2 1 371.554 3.548 20 0 FHADMP Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c1C ZINC001164904825 721698882 /nfs/dbraw/zinc/69/88/82/721698882.db2.gz GVMLUJFCHZPIOB-HXUWFJFHSA-N 2 1 372.463 3.831 20 0 FHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[NH+](C2CCCC2)CC1 ZINC001165032599 721860716 /nfs/dbraw/zinc/86/07/16/721860716.db2.gz SMKDDXHQVMNHBV-UHFFFAOYSA-N 2 1 350.510 3.900 20 0 FHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc4[nH]ccc4c[nH+]2)C3)c1 ZINC001164992875 722193819 /nfs/dbraw/zinc/19/38/19/722193819.db2.gz BRCXUGYLDPFGSV-NRFANRHFSA-N 2 1 350.441 3.947 20 0 FHADMP CCCCCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000583094592 937114600 /nfs/dbraw/zinc/11/46/00/937114600.db2.gz VLWUEUOOIXYKPE-UHFFFAOYSA-N 2 1 351.579 3.610 20 0 FHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000579693369 927116028 /nfs/dbraw/zinc/11/60/28/927116028.db2.gz VHKGLZFKNZKNKV-FYYLOGMGSA-N 2 1 360.505 3.840 20 0 FHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000579693369 927116030 /nfs/dbraw/zinc/11/60/30/927116030.db2.gz VHKGLZFKNZKNKV-FYYLOGMGSA-N 2 1 360.505 3.840 20 0 FHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776681 927388169 /nfs/dbraw/zinc/38/81/69/927388169.db2.gz ZNBASJDDOFADJS-CRAIPNDOSA-N 2 1 358.448 3.635 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000535943946 937174805 /nfs/dbraw/zinc/17/48/05/937174805.db2.gz ULWPNSREHRUNIK-AZUAARDMSA-N 2 1 368.569 3.935 20 0 FHADMP CCC[N@H+](CC1(COC)CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000463093651 928294291 /nfs/dbraw/zinc/29/42/91/928294291.db2.gz NAXJUVVDVLTOSE-UHFFFAOYSA-N 2 1 360.546 3.591 20 0 FHADMP CCC[N@@H+](CC1(COC)CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000463093651 928294311 /nfs/dbraw/zinc/29/43/11/928294311.db2.gz NAXJUVVDVLTOSE-UHFFFAOYSA-N 2 1 360.546 3.591 20 0 FHADMP CCOc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463166280 928300445 /nfs/dbraw/zinc/30/04/45/928300445.db2.gz SCANJDYBCFRVAW-UHFFFAOYSA-N 2 1 352.522 3.925 20 0 FHADMP c1coc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000069679488 928333097 /nfs/dbraw/zinc/33/30/97/928333097.db2.gz WJPYCMLAGUOYJL-UHFFFAOYSA-N 2 1 361.489 3.892 20 0 FHADMP C[C@H]1c2cccn2CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179566947 928835862 /nfs/dbraw/zinc/83/58/62/928835862.db2.gz JXWVYSYMDOGDPV-SFHVURJKSA-N 2 1 352.526 3.595 20 0 FHADMP C[C@H]1c2cccn2CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179566947 928835875 /nfs/dbraw/zinc/83/58/75/928835875.db2.gz JXWVYSYMDOGDPV-SFHVURJKSA-N 2 1 352.526 3.595 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154543902 928918583 /nfs/dbraw/zinc/91/85/83/928918583.db2.gz NIPGBDLACQNJIP-MRXNPFEDSA-N 2 1 373.463 3.654 20 0 FHADMP Cc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)CCC2 ZINC000162769568 937287118 /nfs/dbraw/zinc/28/71/18/937287118.db2.gz VWZISSNURYDNGC-QGZVFWFLSA-N 2 1 374.554 3.936 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000437148120 945069552 /nfs/dbraw/zinc/06/95/52/945069552.db2.gz PJYUTJKTNRGGQP-UHFFFAOYSA-N 2 1 350.510 3.910 20 0 FHADMP Cn1cc([C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2cccc(F)c2)cn1 ZINC000180043447 929335445 /nfs/dbraw/zinc/33/54/45/929335445.db2.gz PGQBXQWQYZHGIQ-OAQYLSRUSA-N 2 1 352.457 3.500 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000092486155 937334159 /nfs/dbraw/zinc/33/41/59/937334159.db2.gz CCPFFZAHAFBMRI-XMSQKQJNSA-N 2 1 354.494 3.589 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000092486155 937334163 /nfs/dbraw/zinc/33/41/63/937334163.db2.gz CCPFFZAHAFBMRI-XMSQKQJNSA-N 2 1 354.494 3.589 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000092486158 937334206 /nfs/dbraw/zinc/33/42/06/937334206.db2.gz CCPFFZAHAFBMRI-PGRDOPGGSA-N 2 1 354.494 3.589 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000092486158 937334210 /nfs/dbraw/zinc/33/42/10/937334210.db2.gz CCPFFZAHAFBMRI-PGRDOPGGSA-N 2 1 354.494 3.589 20 0 FHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657751342 937344403 /nfs/dbraw/zinc/34/44/03/937344403.db2.gz QMQCVOYBHMUFNZ-HSZRJFAPSA-N 2 1 365.521 3.797 20 0 FHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000579976178 929739418 /nfs/dbraw/zinc/73/94/18/929739418.db2.gz MTKCGHCRNPSVQR-BVOGOJNSSA-N 2 1 369.578 3.818 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000162916306 937365333 /nfs/dbraw/zinc/36/53/33/937365333.db2.gz BYQAYXSMQKIANN-CZAYGXOHSA-N 2 1 359.539 3.911 20 0 FHADMP CCOc1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000092821597 937391763 /nfs/dbraw/zinc/39/17/63/937391763.db2.gz VDKUYNPCOXXVEQ-UHFFFAOYSA-N 2 1 354.498 3.614 20 0 FHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000580138085 930295300 /nfs/dbraw/zinc/29/53/00/930295300.db2.gz AQGWBTFDCQXYHD-IBGZPJMESA-N 2 1 374.573 3.591 20 0 FHADMP C[N@H+](CCN1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000255237845 930388673 /nfs/dbraw/zinc/38/86/73/930388673.db2.gz JKDBRTQBMIAFSS-YVMONPNESA-N 2 1 367.512 3.589 20 0 FHADMP C[N@@H+](CCN1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000255237845 930388682 /nfs/dbraw/zinc/38/86/82/930388682.db2.gz JKDBRTQBMIAFSS-YVMONPNESA-N 2 1 367.512 3.589 20 0 FHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c1OC ZINC000580297646 930449448 /nfs/dbraw/zinc/44/94/48/930449448.db2.gz SMYPGAFUMIAIJT-FQEVSTJZSA-N 2 1 368.521 3.666 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000275824721 930485256 /nfs/dbraw/zinc/48/52/56/930485256.db2.gz HBSVTNFBZNUDIK-VJANTYMQSA-N 2 1 370.459 3.580 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000275824721 930485260 /nfs/dbraw/zinc/48/52/60/930485260.db2.gz HBSVTNFBZNUDIK-VJANTYMQSA-N 2 1 370.459 3.580 20 0 FHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000160461904 930530975 /nfs/dbraw/zinc/53/09/75/930530975.db2.gz QUHMGZGZKKJXIV-QFIPXVFZSA-N 2 1 366.505 3.695 20 0 FHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000580409245 930647727 /nfs/dbraw/zinc/64/77/27/930647727.db2.gz JGQYLAHDJZYRFB-RTBURBONSA-N 2 1 357.523 3.528 20 0 FHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380531 930962311 /nfs/dbraw/zinc/96/23/11/930962311.db2.gz LYZKZLDOSCRETG-UNMCSNQZSA-N 2 1 360.517 3.623 20 0 FHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380531 930962324 /nfs/dbraw/zinc/96/23/24/930962324.db2.gz LYZKZLDOSCRETG-UNMCSNQZSA-N 2 1 360.517 3.623 20 0 FHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380531 930962334 /nfs/dbraw/zinc/96/23/34/930962334.db2.gz LYZKZLDOSCRETG-UNMCSNQZSA-N 2 1 360.517 3.623 20 0 FHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380531 930962343 /nfs/dbraw/zinc/96/23/43/930962343.db2.gz LYZKZLDOSCRETG-UNMCSNQZSA-N 2 1 360.517 3.623 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000398209700 931102521 /nfs/dbraw/zinc/10/25/21/931102521.db2.gz RWIVFXORIPORQY-UTKZUKDTSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398209700 931102528 /nfs/dbraw/zinc/10/25/28/931102528.db2.gz RWIVFXORIPORQY-UTKZUKDTSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398209700 931102532 /nfs/dbraw/zinc/10/25/32/931102532.db2.gz RWIVFXORIPORQY-UTKZUKDTSA-N 2 1 354.494 3.704 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000580814347 931198260 /nfs/dbraw/zinc/19/82/60/931198260.db2.gz FKWLZFGZGSSCIE-CQSZACIVSA-N 2 1 362.315 3.817 20 0 FHADMP C[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000127301105 931308736 /nfs/dbraw/zinc/30/87/36/931308736.db2.gz OATDMCKSPYKXBN-MRXNPFEDSA-N 2 1 370.468 3.912 20 0 FHADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684112990 931355511 /nfs/dbraw/zinc/35/55/11/931355511.db2.gz LJARGFUKOOOTOK-VSKRKVRLSA-N 2 1 366.553 3.948 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000066990440 931740985 /nfs/dbraw/zinc/74/09/85/931740985.db2.gz KHCJKGTWQZXCQU-UHFFFAOYSA-N 2 1 367.537 3.653 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581255462 931743506 /nfs/dbraw/zinc/74/35/06/931743506.db2.gz IOWMMLIQECQZOG-DLBZAZTESA-N 2 1 365.587 3.504 20 0 FHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456329 931763773 /nfs/dbraw/zinc/76/37/73/931763773.db2.gz ZCEMMALVIVIGSJ-FYYLOGMGSA-N 2 1 373.504 3.502 20 0 FHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656456329 931763779 /nfs/dbraw/zinc/76/37/79/931763779.db2.gz ZCEMMALVIVIGSJ-FYYLOGMGSA-N 2 1 373.504 3.502 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559201 931845199 /nfs/dbraw/zinc/84/51/99/931845199.db2.gz ZYZFBNVRRAVGRC-PKOBYXMFSA-N 2 1 351.494 3.741 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000581385697 931929007 /nfs/dbraw/zinc/92/90/07/931929007.db2.gz LGHGLDXOGFOXPA-QLFBSQMISA-N 2 1 350.528 3.838 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000581385697 931929013 /nfs/dbraw/zinc/92/90/13/931929013.db2.gz LGHGLDXOGFOXPA-QLFBSQMISA-N 2 1 350.528 3.838 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000581385696 931929170 /nfs/dbraw/zinc/92/91/70/931929170.db2.gz LGHGLDXOGFOXPA-KKUMJFAQSA-N 2 1 350.528 3.838 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000581385696 931929175 /nfs/dbraw/zinc/92/91/75/931929175.db2.gz LGHGLDXOGFOXPA-KKUMJFAQSA-N 2 1 350.528 3.838 20 0 FHADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1cccc2ccccc21 ZINC000430576494 931929732 /nfs/dbraw/zinc/92/97/32/931929732.db2.gz MEJMXZAJRKYSCK-UHFFFAOYSA-N 2 1 351.494 3.632 20 0 FHADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430588435 931970462 /nfs/dbraw/zinc/97/04/62/931970462.db2.gz ZFQCSHZSARQJLV-AWEZNQCLSA-N 2 1 362.905 3.696 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581458112 932091215 /nfs/dbraw/zinc/09/12/15/932091215.db2.gz BUFMTWWHFJHMHJ-CTNGQTDRSA-N 2 1 352.526 3.689 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1)C1CCOCC1 ZINC000076399922 932377204 /nfs/dbraw/zinc/37/72/04/932377204.db2.gz OQJJHLVWYUEIPS-UHFFFAOYSA-N 2 1 372.484 3.605 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656784481 932418978 /nfs/dbraw/zinc/41/89/78/932418978.db2.gz DMTIUNFKQSXMMR-MRXNPFEDSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000656785521 932420662 /nfs/dbraw/zinc/42/06/62/932420662.db2.gz LJQMRJFSOIVXOY-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411343 932588407 /nfs/dbraw/zinc/58/84/07/932588407.db2.gz KECLYCQEFZIMSS-YJBOKZPZSA-N 2 1 356.432 3.934 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000581882756 932831107 /nfs/dbraw/zinc/83/11/07/932831107.db2.gz NEWCPOJZZCLEIH-BBWFWOEESA-N 2 1 367.493 3.568 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000581882756 932831113 /nfs/dbraw/zinc/83/11/13/932831113.db2.gz NEWCPOJZZCLEIH-BBWFWOEESA-N 2 1 367.493 3.568 20 0 FHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000647199117 932986262 /nfs/dbraw/zinc/98/62/62/932986262.db2.gz NOHVGJZSWUVELC-UHFFFAOYSA-N 2 1 358.432 3.895 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851115 933137098 /nfs/dbraw/zinc/13/70/98/933137098.db2.gz PDLRISLVZCWPRD-QZTJIDSGSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851115 933137100 /nfs/dbraw/zinc/13/71/00/933137100.db2.gz PDLRISLVZCWPRD-QZTJIDSGSA-N 2 1 366.465 3.502 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000510511908 933175007 /nfs/dbraw/zinc/17/50/07/933175007.db2.gz YNHQCJRTFLGFDK-KGVIQGDOSA-N 2 1 359.533 3.694 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000510511908 933175013 /nfs/dbraw/zinc/17/50/13/933175013.db2.gz YNHQCJRTFLGFDK-KGVIQGDOSA-N 2 1 359.533 3.694 20 0 FHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@@H+]1C ZINC000430751411 933203229 /nfs/dbraw/zinc/20/32/29/933203229.db2.gz WAXNTIKNGASZES-MXAVVETBSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@H+]1C ZINC000430751411 933203237 /nfs/dbraw/zinc/20/32/37/933203237.db2.gz WAXNTIKNGASZES-MXAVVETBSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCSCc3ccccc3)c2)CCO1 ZINC000430760942 933213415 /nfs/dbraw/zinc/21/34/15/933213415.db2.gz KAYRLEDFJLBFPF-LJQANCHMSA-N 2 1 370.562 3.930 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCSCc3ccccc3)c2)CCO1 ZINC000430760942 933213422 /nfs/dbraw/zinc/21/34/22/933213422.db2.gz KAYRLEDFJLBFPF-LJQANCHMSA-N 2 1 370.562 3.930 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000510677275 933409468 /nfs/dbraw/zinc/40/94/68/933409468.db2.gz ARMHHRIUDAWNGW-INIZCTEOSA-N 2 1 352.469 3.521 20 0 FHADMP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430936780 933435994 /nfs/dbraw/zinc/43/59/94/933435994.db2.gz WWDYMFOYVNIZLA-QGZVFWFLSA-N 2 1 367.493 3.785 20 0 FHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCOc3ccccc3)CC2)CC1 ZINC000430941551 933454679 /nfs/dbraw/zinc/45/46/79/933454679.db2.gz XDIBLOZCCAGUTJ-UHFFFAOYSA-N 2 1 373.585 3.584 20 0 FHADMP C[N@H+](CCCOc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430941551 933454680 /nfs/dbraw/zinc/45/46/80/933454680.db2.gz XDIBLOZCCAGUTJ-UHFFFAOYSA-N 3 1 373.585 3.584 20 0 FHADMP C[N@@H+](CCCOc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430941551 933454690 /nfs/dbraw/zinc/45/46/90/933454690.db2.gz XDIBLOZCCAGUTJ-UHFFFAOYSA-N 3 1 373.585 3.584 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@H](C)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000510703701 933466151 /nfs/dbraw/zinc/46/61/51/933466151.db2.gz PASLZNXESUJJMK-QGZVFWFLSA-N 2 1 368.949 3.896 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000283008966 933599921 /nfs/dbraw/zinc/59/99/21/933599921.db2.gz OMSDMUPQPMCWDO-UHFFFAOYSA-N 2 1 359.271 3.682 20 0 FHADMP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000431032413 933709111 /nfs/dbraw/zinc/70/91/11/933709111.db2.gz CKJJBGBDSOEIQM-ZXIXHQEUSA-N 2 1 369.553 3.591 20 0 FHADMP CCC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000431082049 933813034 /nfs/dbraw/zinc/81/30/34/933813034.db2.gz SIUCTYWXYINQCZ-UHFFFAOYSA-N 2 1 351.494 3.903 20 0 FHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)CC2 ZINC000684552175 933820121 /nfs/dbraw/zinc/82/01/21/933820121.db2.gz NQINOAUIWAAZCR-HXUWFJFHSA-N 2 1 358.526 3.935 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837402 933833965 /nfs/dbraw/zinc/83/39/65/933833965.db2.gz LCBDVLCPYICHAP-ZWKOTPCHSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837402 933833970 /nfs/dbraw/zinc/83/39/70/933833970.db2.gz LCBDVLCPYICHAP-ZWKOTPCHSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837402 933833977 /nfs/dbraw/zinc/83/39/77/933833977.db2.gz LCBDVLCPYICHAP-ZWKOTPCHSA-N 2 1 357.542 3.664 20 0 FHADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccccc1 ZINC000092263458 933981404 /nfs/dbraw/zinc/98/14/04/933981404.db2.gz IZRJZSDUUDLGTJ-IBGZPJMESA-N 2 1 367.541 3.592 20 0 FHADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccccc1 ZINC000092263458 933981409 /nfs/dbraw/zinc/98/14/09/933981409.db2.gz IZRJZSDUUDLGTJ-IBGZPJMESA-N 2 1 367.541 3.592 20 0 FHADMP COc1cccc(-c2csc(C[N@H+]3CCC[C@H](n4ccnc4)C3)n2)c1 ZINC000891903993 933986734 /nfs/dbraw/zinc/98/67/34/933986734.db2.gz ATRCKQJYKWILMO-INIZCTEOSA-N 2 1 354.479 3.852 20 0 FHADMP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587897 934099549 /nfs/dbraw/zinc/09/95/49/934099549.db2.gz DXAAUYJUDYUZAT-FPOVZHCZSA-N 2 1 367.541 3.662 20 0 FHADMP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587897 934099557 /nfs/dbraw/zinc/09/95/57/934099557.db2.gz DXAAUYJUDYUZAT-FPOVZHCZSA-N 2 1 367.541 3.662 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587897 934099564 /nfs/dbraw/zinc/09/95/64/934099564.db2.gz DXAAUYJUDYUZAT-FPOVZHCZSA-N 2 1 367.541 3.662 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1-n1cncn1 ZINC000092587897 934099574 /nfs/dbraw/zinc/09/95/74/934099574.db2.gz DXAAUYJUDYUZAT-FPOVZHCZSA-N 2 1 367.541 3.662 20 0 FHADMP COCc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844280 934180383 /nfs/dbraw/zinc/18/03/83/934180383.db2.gz YRKBKGIZRHAXIT-KDURUIRLSA-N 2 1 360.542 3.544 20 0 FHADMP FC(F)(F)COCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535676221 934256325 /nfs/dbraw/zinc/25/63/25/934256325.db2.gz OSZPKZJWEPPMKI-UHFFFAOYSA-N 2 1 370.459 3.944 20 0 FHADMP COC(=O)c1ccoc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535679813 934260838 /nfs/dbraw/zinc/26/08/38/934260838.db2.gz IYLJVAAWZGDVRZ-UHFFFAOYSA-N 2 1 368.477 3.554 20 0 FHADMP COC(=O)c1ccoc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535679813 934260849 /nfs/dbraw/zinc/26/08/49/934260849.db2.gz IYLJVAAWZGDVRZ-UHFFFAOYSA-N 2 1 368.477 3.554 20 0 FHADMP COC(=O)c1ccoc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535679813 934260863 /nfs/dbraw/zinc/26/08/63/934260863.db2.gz IYLJVAAWZGDVRZ-UHFFFAOYSA-N 2 1 368.477 3.554 20 0 FHADMP Oc1cccc2c(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc[nH+]c12 ZINC000684590877 934324524 /nfs/dbraw/zinc/32/45/24/934324524.db2.gz RPIHKONUPVZRAP-GOSISDBHSA-N 2 1 363.461 3.643 20 0 FHADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(I)cc1 ZINC000610807300 934449926 /nfs/dbraw/zinc/44/99/26/934449926.db2.gz MQQKLVPLXDVZFP-HNNXBMFYSA-N 2 1 369.250 3.537 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510987588 934462465 /nfs/dbraw/zinc/46/24/65/934462465.db2.gz SRDNWYMFEOAIJH-VLCRHTCISA-N 2 1 350.506 3.880 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([NH+](C)C)CC3)n2)cc1F ZINC000277041895 934464712 /nfs/dbraw/zinc/46/47/12/934464712.db2.gz BVFGCYYMXMFQDR-KRWDZBQOSA-N 2 1 360.477 3.533 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000610814292 934494060 /nfs/dbraw/zinc/49/40/60/934494060.db2.gz FTAUHMZZNWBOBT-CZUORRHYSA-N 2 1 372.294 3.674 20 0 FHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458295519 934589191 /nfs/dbraw/zinc/58/91/91/934589191.db2.gz WXWYJQRCIWQNDG-NRFANRHFSA-N 2 1 351.494 3.660 20 0 FHADMP CCN(CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500861 934819761 /nfs/dbraw/zinc/81/97/61/934819761.db2.gz XCIRSRIEYFWNSP-IBGZPJMESA-N 2 1 371.491 3.715 20 0 FHADMP CCN(CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500861 934819764 /nfs/dbraw/zinc/81/97/64/934819764.db2.gz XCIRSRIEYFWNSP-IBGZPJMESA-N 2 1 371.491 3.715 20 0 FHADMP CCN(CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500861 934819767 /nfs/dbraw/zinc/81/97/67/934819767.db2.gz XCIRSRIEYFWNSP-IBGZPJMESA-N 2 1 371.491 3.715 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000277237918 934826261 /nfs/dbraw/zinc/82/62/61/934826261.db2.gz PGOGLCXCFNYBSV-UHFFFAOYSA-N 2 1 354.502 3.683 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000277237918 934826265 /nfs/dbraw/zinc/82/62/65/934826265.db2.gz PGOGLCXCFNYBSV-UHFFFAOYSA-N 2 1 354.502 3.683 20 0 FHADMP CO[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504415 934871542 /nfs/dbraw/zinc/87/15/42/934871542.db2.gz LFQCIZJMOAYQKE-SIKLNZKXSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504415 934871550 /nfs/dbraw/zinc/87/15/50/934871550.db2.gz LFQCIZJMOAYQKE-SIKLNZKXSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504415 934871557 /nfs/dbraw/zinc/87/15/57/934871557.db2.gz LFQCIZJMOAYQKE-SIKLNZKXSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504415 934871563 /nfs/dbraw/zinc/87/15/63/934871563.db2.gz LFQCIZJMOAYQKE-SIKLNZKXSA-N 2 1 356.485 3.967 20 0 FHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc3ccccc3c2)CC1 ZINC000516624249 945074696 /nfs/dbraw/zinc/07/46/96/945074696.db2.gz QVOVUWBRDCOOJU-UHFFFAOYSA-N 2 1 374.488 3.558 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000105443097 935086666 /nfs/dbraw/zinc/08/66/66/935086666.db2.gz UDECAWJIQPCXTD-QGZVFWFLSA-N 2 1 350.466 3.591 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000375662004 935132208 /nfs/dbraw/zinc/13/22/08/935132208.db2.gz WYJDZGIWDTULQS-AEFFLSMTSA-N 2 1 364.415 3.608 20 0 FHADMP FC(F)(F)c1ccc(-n2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000375662004 935132210 /nfs/dbraw/zinc/13/22/10/935132210.db2.gz WYJDZGIWDTULQS-AEFFLSMTSA-N 2 1 364.415 3.608 20 0 FHADMP C[C@@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1ccnc1 ZINC000563236905 935197799 /nfs/dbraw/zinc/19/77/99/935197799.db2.gz AEEMAVKIHVFJSU-OTWHNJEPSA-N 2 1 368.525 3.629 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000582071602 935211724 /nfs/dbraw/zinc/21/17/24/935211724.db2.gz XGMNLKDIIRCLNM-LJQANCHMSA-N 2 1 371.569 3.677 20 0 FHADMP COC(=O)c1cc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)oc1C ZINC000292909421 945089458 /nfs/dbraw/zinc/08/94/58/945089458.db2.gz KOTJIHRRMCZGCQ-CQSZACIVSA-N 2 1 371.481 3.848 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)cs1 ZINC000511106460 935585749 /nfs/dbraw/zinc/58/57/49/935585749.db2.gz IIMWQCXZKRNGSP-INIZCTEOSA-N 2 1 373.566 3.844 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000509566874 945121206 /nfs/dbraw/zinc/12/12/06/945121206.db2.gz AXROSCONRZAROG-SFTDATJTSA-N 2 1 364.537 3.942 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000509566874 945121210 /nfs/dbraw/zinc/12/12/10/945121210.db2.gz AXROSCONRZAROG-SFTDATJTSA-N 2 1 364.537 3.942 20 0 FHADMP Cc1ncsc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000657448050 935789318 /nfs/dbraw/zinc/78/93/18/935789318.db2.gz GWFYHARENBTJAZ-INIZCTEOSA-N 2 1 359.539 3.709 20 0 FHADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000582526497 935802432 /nfs/dbraw/zinc/80/24/32/935802432.db2.gz LFWAJBASIMZZDL-UHFFFAOYSA-N 2 1 366.553 3.961 20 0 FHADMP CCC1CCC([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001167587233 935855899 /nfs/dbraw/zinc/85/58/99/935855899.db2.gz WODDKYUDROHKMX-UHFFFAOYSA-N 2 1 371.569 3.799 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@H]2CCC[C@@H]21 ZINC000582658207 935915809 /nfs/dbraw/zinc/91/58/09/935915809.db2.gz UIZFHEICEBGZEF-RLCCDNCMSA-N 2 1 359.258 3.690 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@H]2CCC[C@@H]21 ZINC000582658207 935915813 /nfs/dbraw/zinc/91/58/13/935915813.db2.gz UIZFHEICEBGZEF-RLCCDNCMSA-N 2 1 359.258 3.690 20 0 FHADMP CC(C)(C)c1ncc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000582698198 935954056 /nfs/dbraw/zinc/95/40/56/935954056.db2.gz XOYXNQPJNGHQGU-LEWJYISDSA-N 2 1 364.537 3.728 20 0 FHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000075675841 936014822 /nfs/dbraw/zinc/01/48/22/936014822.db2.gz YUCUCZIEKDKAJA-UHFFFAOYSA-N 2 1 369.509 3.584 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCCC4)s3)cc2)C1 ZINC000657597273 936072839 /nfs/dbraw/zinc/07/28/39/936072839.db2.gz RZQNWIWLIAPNBO-IBGZPJMESA-N 2 1 371.550 3.657 20 0 FHADMP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657597017 936073015 /nfs/dbraw/zinc/07/30/15/936073015.db2.gz QQRZXRRDWBUIRX-LJQANCHMSA-N 2 1 358.913 3.759 20 0 FHADMP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596735 936079785 /nfs/dbraw/zinc/07/97/85/936079785.db2.gz YHUFRJLLVIGJJX-QHCPKHFHSA-N 2 1 352.522 3.742 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271513 936267556 /nfs/dbraw/zinc/26/75/56/936267556.db2.gz BWCKUHMUPNVYHD-MAUKXSAKSA-N 2 1 356.457 3.782 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271509 936267608 /nfs/dbraw/zinc/26/76/08/936267608.db2.gz BWCKUHMUPNVYHD-CRAIPNDOSA-N 2 1 356.457 3.782 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000080339060 938249625 /nfs/dbraw/zinc/24/96/25/938249625.db2.gz VNZPKGDGTXCCGL-XLIONFOSSA-N 2 1 354.494 3.847 20 0 FHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000080339060 938249627 /nfs/dbraw/zinc/24/96/27/938249627.db2.gz VNZPKGDGTXCCGL-XLIONFOSSA-N 2 1 354.494 3.847 20 0 FHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nc4cc(F)ccc4o3)cc2)CC1 ZINC000634979438 938256538 /nfs/dbraw/zinc/25/65/38/938256538.db2.gz DIIRALVJIYTZAJ-UHFFFAOYSA-N 2 1 369.440 3.730 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000080428627 938262565 /nfs/dbraw/zinc/26/25/65/938262565.db2.gz IMOGMPWPFJXRDA-INIZCTEOSA-N 2 1 362.477 3.733 20 0 FHADMP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705484 938283132 /nfs/dbraw/zinc/28/31/32/938283132.db2.gz JFEORRLQTSGXOM-VWPQPMDRSA-N 2 1 360.542 3.830 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706126 938285346 /nfs/dbraw/zinc/28/53/46/938285346.db2.gz DRCFECWOAAZQDI-XGWLTEMNSA-N 2 1 374.859 3.660 20 0 FHADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707852 938287597 /nfs/dbraw/zinc/28/75/97/938287597.db2.gz OEHWSBWNNURDAN-QEORTHHSSA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707973 938287791 /nfs/dbraw/zinc/28/77/91/938287791.db2.gz RAORBGYOMHNWHY-IAOVAPTHSA-N 2 1 360.395 3.563 20 0 FHADMP C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514207 938288452 /nfs/dbraw/zinc/28/84/52/938288452.db2.gz NHZNFBNHCCKTKG-VEXUSMLFSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514207 938288454 /nfs/dbraw/zinc/28/84/54/938288454.db2.gz NHZNFBNHCCKTKG-VEXUSMLFSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000583514207 938288455 /nfs/dbraw/zinc/28/84/55/938288455.db2.gz NHZNFBNHCCKTKG-VEXUSMLFSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000583514207 938288456 /nfs/dbraw/zinc/28/84/56/938288456.db2.gz NHZNFBNHCCKTKG-VEXUSMLFSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514208 938288482 /nfs/dbraw/zinc/28/84/82/938288482.db2.gz NHZNFBNHCCKTKG-YGOYIFOWSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000583514208 938288483 /nfs/dbraw/zinc/28/84/83/938288483.db2.gz NHZNFBNHCCKTKG-YGOYIFOWSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000583514208 938288485 /nfs/dbraw/zinc/28/84/85/938288485.db2.gz NHZNFBNHCCKTKG-YGOYIFOWSA-N 2 1 363.549 3.858 20 0 FHADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000583514208 938288487 /nfs/dbraw/zinc/28/84/87/938288487.db2.gz NHZNFBNHCCKTKG-YGOYIFOWSA-N 2 1 363.549 3.858 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707433 938289491 /nfs/dbraw/zinc/28/94/91/938289491.db2.gz GCWUBKWUFUJZQN-SPYBWZPUSA-N 2 1 354.897 3.630 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163147842 938293323 /nfs/dbraw/zinc/29/33/23/938293323.db2.gz UUGAUCVFOGGFBN-GOEBONIOSA-N 2 1 366.431 3.716 20 0 FHADMP C[NH+]1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000156806334 938293956 /nfs/dbraw/zinc/29/39/56/938293956.db2.gz ISNRHPVDMCVOGW-UHFFFAOYSA-N 2 1 356.341 3.642 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OCc1ccncc1 ZINC000650711912 938296201 /nfs/dbraw/zinc/29/62/01/938296201.db2.gz ITYDUQONTBQLFF-XLIONFOSSA-N 2 1 369.509 3.619 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000650711977 938296392 /nfs/dbraw/zinc/29/63/92/938296392.db2.gz LHINLLMVKAKQQM-UKRRQHHQSA-N 2 1 360.420 3.586 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722648 938309773 /nfs/dbraw/zinc/30/97/73/938309773.db2.gz YORVMGLBBIDULB-QRQLOZEOSA-N 2 1 357.523 3.671 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cs2)cc1 ZINC000650722981 938310090 /nfs/dbraw/zinc/31/00/90/938310090.db2.gz FPFPQNFAYLLHKY-SXLOBPIMSA-N 2 1 371.550 3.979 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723394 938310661 /nfs/dbraw/zinc/31/06/61/938310661.db2.gz NHVMIVMVIIALSK-BHIYHBOVSA-N 2 1 357.523 3.671 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000151095441 938350986 /nfs/dbraw/zinc/35/09/86/938350986.db2.gz RNJGNOGGRDVVOB-KBPBESRZSA-N 2 1 355.320 3.840 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000583759689 938394116 /nfs/dbraw/zinc/39/41/16/938394116.db2.gz VDWPFEZLMLIFLL-CEXWTWQISA-N 2 1 355.530 3.676 20 0 FHADMP C[C@@H](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH2+]CC1 ZINC000246743452 938396936 /nfs/dbraw/zinc/39/69/36/938396936.db2.gz ZHJPFVVZHGGCBN-OALUTQOASA-N 2 1 371.569 3.703 20 0 FHADMP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(C(F)(F)F)c1 ZINC000650753916 938407247 /nfs/dbraw/zinc/40/72/47/938407247.db2.gz YIAYFZYBPOZUJH-KRWDZBQOSA-N 2 1 356.363 3.781 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795502 938416777 /nfs/dbraw/zinc/41/67/77/938416777.db2.gz KCIXWXNUBPHRFE-OIBXWCBGSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795502 938416780 /nfs/dbraw/zinc/41/67/80/938416780.db2.gz KCIXWXNUBPHRFE-OIBXWCBGSA-N 2 1 364.533 3.938 20 0 FHADMP C[NH+](C)CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000583812246 938423726 /nfs/dbraw/zinc/42/37/26/938423726.db2.gz ZOPDTLRGWNWZGE-HRTMPFAESA-N 3 1 355.570 3.894 20 0 FHADMP C[NH+](C)CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000583812246 938423728 /nfs/dbraw/zinc/42/37/28/938423728.db2.gz ZOPDTLRGWNWZGE-HRTMPFAESA-N 3 1 355.570 3.894 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151165511 938438536 /nfs/dbraw/zinc/43/85/36/938438536.db2.gz ZGVCMWVWRCCQMT-MDZRGWNJSA-N 2 1 350.934 3.707 20 0 FHADMP Cc1csc(N2CCC([NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000157858516 938443671 /nfs/dbraw/zinc/44/36/71/938443671.db2.gz ZLCHILOXXUWVHN-KRWDZBQOSA-N 2 1 350.576 3.665 20 0 FHADMP Cc1csc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000157917581 938453509 /nfs/dbraw/zinc/45/35/09/938453509.db2.gz KXADCTUDTRCZCF-INIZCTEOSA-N 2 1 350.576 3.522 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H]2CCC[C@H]21 ZINC000583887957 938467985 /nfs/dbraw/zinc/46/79/85/938467985.db2.gz LGGCIYBGQODDCQ-OPGCRTJHSA-N 2 1 351.897 3.520 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000060368545 945181317 /nfs/dbraw/zinc/18/13/17/945181317.db2.gz VNLCEYBWTFFUIS-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000060368545 945181325 /nfs/dbraw/zinc/18/13/25/945181325.db2.gz VNLCEYBWTFFUIS-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2cc(OC)ccc2c1 ZINC000151366131 938531857 /nfs/dbraw/zinc/53/18/57/938531857.db2.gz MACMNBZZBBFAJG-QFIPXVFZSA-N 2 1 356.510 3.736 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000132664010 938534674 /nfs/dbraw/zinc/53/46/74/938534674.db2.gz QHPLEQLZDFECCP-HNNXBMFYSA-N 2 1 359.901 3.543 20 0 FHADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151378391 938535110 /nfs/dbraw/zinc/53/51/10/938535110.db2.gz PIVZLLDAAJINMS-INIZCTEOSA-N 2 1 356.963 3.647 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151392841 938538900 /nfs/dbraw/zinc/53/89/00/938538900.db2.gz FYAHCVKGJVWFDI-PZJWPPBQSA-N 2 1 362.583 3.789 20 0 FHADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000584023603 938552513 /nfs/dbraw/zinc/55/25/13/938552513.db2.gz VAZGEPLCTZYVKO-GOSISDBHSA-N 2 1 358.555 3.601 20 0 FHADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000584023603 938552516 /nfs/dbraw/zinc/55/25/16/938552516.db2.gz VAZGEPLCTZYVKO-GOSISDBHSA-N 2 1 358.555 3.601 20 0 FHADMP COc1cc2[nH+]ccc(N3CCC(C[N@@H+](C)C(C)C)CC3)c2cc1OC ZINC000584218890 938646946 /nfs/dbraw/zinc/64/69/46/938646946.db2.gz WRDRONQKUMEYSY-UHFFFAOYSA-N 2 1 357.498 3.809 20 0 FHADMP O=C(c1ccco1)N1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000159252548 938648422 /nfs/dbraw/zinc/64/84/22/938648422.db2.gz VJDMYUDZYWLORM-HXUWFJFHSA-N 2 1 373.541 3.519 20 0 FHADMP Cc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1C[NH+](C)C ZINC000584301291 938677297 /nfs/dbraw/zinc/67/72/97/938677297.db2.gz PUVYSPYDLNGRLU-IBGZPJMESA-N 2 1 359.901 3.951 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000708539713 938814348 /nfs/dbraw/zinc/81/43/48/938814348.db2.gz DXUNRKPWMBQXSR-OXJNMPFZSA-N 2 1 364.493 3.836 20 0 FHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000545589784 945206685 /nfs/dbraw/zinc/20/66/85/945206685.db2.gz DBRTWWXEGNDRSJ-MJGOQNOKSA-N 2 1 350.522 3.971 20 0 FHADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090543764 938879957 /nfs/dbraw/zinc/87/99/57/938879957.db2.gz LTJFKGBOTGIETQ-DENIHFKCSA-N 2 1 362.533 3.754 20 0 FHADMP CC(C)CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000518212100 945213051 /nfs/dbraw/zinc/21/30/51/945213051.db2.gz MFZNRFFGTIPCKZ-IBGZPJMESA-N 2 1 365.949 3.522 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3cccnc3)C(C)C)CC2)oc1C ZINC000091337353 938900225 /nfs/dbraw/zinc/90/02/25/938900225.db2.gz MRTQYYHHRBNOSZ-OAQYLSRUSA-N 2 1 356.514 3.885 20 0 FHADMP C[N@@H+](CCN1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104945 938925987 /nfs/dbraw/zinc/92/59/87/938925987.db2.gz RVPHMQDTJPCSFV-DNQXCXABSA-N 2 1 363.549 3.540 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000093844558 938930765 /nfs/dbraw/zinc/93/07/65/938930765.db2.gz WZJVLVWZOVHTCI-MRXNPFEDSA-N 2 1 350.576 3.686 20 0 FHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657871969 938958110 /nfs/dbraw/zinc/95/81/10/938958110.db2.gz LMUBZEUWNGMVAK-LJQANCHMSA-N 2 1 371.491 3.644 20 0 FHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885709 938971119 /nfs/dbraw/zinc/97/11/19/938971119.db2.gz GZXYXOFSQFQMSE-HRAATJIYSA-N 2 1 367.518 3.584 20 0 FHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885709 938971120 /nfs/dbraw/zinc/97/11/20/938971120.db2.gz GZXYXOFSQFQMSE-HRAATJIYSA-N 2 1 367.518 3.584 20 0 FHADMP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093317760 938993514 /nfs/dbraw/zinc/99/35/14/938993514.db2.gz PBJSGDVWKBJQPA-OAQYLSRUSA-N 2 1 360.542 3.942 20 0 FHADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)C1 ZINC000163293849 938995823 /nfs/dbraw/zinc/99/58/23/938995823.db2.gz UXXHUEKLENIFAZ-RYUDHWBXSA-N 2 1 364.383 3.882 20 0 FHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)C1 ZINC000163293849 938995824 /nfs/dbraw/zinc/99/58/24/938995824.db2.gz UXXHUEKLENIFAZ-RYUDHWBXSA-N 2 1 364.383 3.882 20 0 FHADMP Cc1cccnc1CN1CCCC2(CCC[N@@H+](Cc3ncccc3C)C2)C1 ZINC000685593141 939003060 /nfs/dbraw/zinc/00/30/60/939003060.db2.gz CZBMWZRFWZCGHC-UHFFFAOYSA-N 2 1 364.537 3.972 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000685646315 939008067 /nfs/dbraw/zinc/00/80/67/939008067.db2.gz MTXCOXNCUOPFOI-IEBWSBKVSA-N 2 1 354.494 3.964 20 0 FHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000431618179 939008290 /nfs/dbraw/zinc/00/82/90/939008290.db2.gz CFZZNWMAOVUFQQ-QFIPXVFZSA-N 2 1 369.553 3.518 20 0 FHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000431618179 939008291 /nfs/dbraw/zinc/00/82/91/939008291.db2.gz CFZZNWMAOVUFQQ-QFIPXVFZSA-N 2 1 369.553 3.518 20 0 FHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000431618179 939008292 /nfs/dbraw/zinc/00/82/92/939008292.db2.gz CFZZNWMAOVUFQQ-QFIPXVFZSA-N 2 1 369.553 3.518 20 0 FHADMP C[C@H]([NH2+]Cc1cccnc1N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658103733 939026425 /nfs/dbraw/zinc/02/64/25/939026425.db2.gz MCTGZEAQZJJHBS-SIKLNZKXSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@H]([NH2+]Cc1cccnc1N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658103733 939026429 /nfs/dbraw/zinc/02/64/29/939026429.db2.gz MCTGZEAQZJJHBS-SIKLNZKXSA-N 2 1 364.537 3.682 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142249 939035890 /nfs/dbraw/zinc/03/58/90/939035890.db2.gz VGEYXMIBRUAXHA-LAUBAEHRSA-N 2 1 356.897 3.684 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137827 939040567 /nfs/dbraw/zinc/04/05/67/939040567.db2.gz IMUZXFQVSQXJDK-AZUAARDMSA-N 2 1 372.509 3.719 20 0 FHADMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@H]1c1ccccc1 ZINC000658138056 939040764 /nfs/dbraw/zinc/04/07/64/939040764.db2.gz MKLJYORGODUKBW-AIZKBTNYSA-N 2 1 350.506 3.535 20 0 FHADMP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658139509 939042918 /nfs/dbraw/zinc/04/29/18/939042918.db2.gz MHYLCLICLZYMRX-JXFKEZNVSA-N 2 1 356.535 3.826 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139550 939042991 /nfs/dbraw/zinc/04/29/91/939042991.db2.gz MZGHPBGPDPLBCK-DNVCBOLYSA-N 2 1 367.518 3.714 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC(c4cccc(Cl)c4)C3)cc2)C1 ZINC000658140470 939044132 /nfs/dbraw/zinc/04/41/32/939044132.db2.gz ULGHNSSLVQOSDJ-KITAHSCOSA-N 2 1 370.924 3.942 20 0 FHADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167748 939054305 /nfs/dbraw/zinc/05/43/05/939054305.db2.gz YUMUZRMHNCOAEY-JZWVFAODSA-N 2 1 368.521 3.883 20 0 FHADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167748 939054307 /nfs/dbraw/zinc/05/43/07/939054307.db2.gz YUMUZRMHNCOAEY-JZWVFAODSA-N 2 1 368.521 3.883 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000658254305 939090144 /nfs/dbraw/zinc/09/01/44/939090144.db2.gz PGHWRZYYZFJILT-HAGHYFMRSA-N 2 1 366.590 3.839 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307997 939097842 /nfs/dbraw/zinc/09/78/42/939097842.db2.gz NVDHXVXVWAIEOJ-TZIWHRDSSA-N 2 1 371.569 3.573 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658313242 939108029 /nfs/dbraw/zinc/10/80/29/939108029.db2.gz LHRFELKZGRDQAU-BBHUYCHWSA-N 2 1 374.569 3.587 20 0 FHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320126 939110826 /nfs/dbraw/zinc/11/08/26/939110826.db2.gz NAPAWWYTTMROSU-XLIONFOSSA-N 2 1 352.526 3.681 20 0 FHADMP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320383 939111152 /nfs/dbraw/zinc/11/11/52/939111152.db2.gz VDWDMBFUVPQFIS-RTWAWAEBSA-N 2 1 364.537 3.763 20 0 FHADMP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320383 939111153 /nfs/dbraw/zinc/11/11/53/939111153.db2.gz VDWDMBFUVPQFIS-RTWAWAEBSA-N 2 1 364.537 3.763 20 0 FHADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111547 /nfs/dbraw/zinc/11/15/47/939111547.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111552 /nfs/dbraw/zinc/11/15/52/939111552.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111558 /nfs/dbraw/zinc/11/15/58/939111558.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 2 1 355.570 3.609 20 0 FHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111562 /nfs/dbraw/zinc/11/15/62/939111562.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 3 1 355.570 3.609 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111563 /nfs/dbraw/zinc/11/15/63/939111563.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111577 /nfs/dbraw/zinc/11/15/77/939111577.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111581 /nfs/dbraw/zinc/11/15/81/939111581.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 3 1 355.570 3.609 20 0 FHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319790 939111658 /nfs/dbraw/zinc/11/16/58/939111658.db2.gz IVRRUHQRQAIIGS-TZIWHRDSSA-N 2 1 371.569 3.525 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1F ZINC000421823180 939127367 /nfs/dbraw/zinc/12/73/67/939127367.db2.gz CIOQYXLUKIHZFG-SFHVURJKSA-N 2 1 350.441 3.752 20 0 FHADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367533 939141008 /nfs/dbraw/zinc/14/10/08/939141008.db2.gz ICADYVIOJLCNGN-UXHICEINSA-N 2 1 354.494 3.573 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506448786 945260278 /nfs/dbraw/zinc/26/02/78/945260278.db2.gz VGDQTXQPOQDJNX-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506448786 945260284 /nfs/dbraw/zinc/26/02/84/945260284.db2.gz VGDQTXQPOQDJNX-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448786 945260288 /nfs/dbraw/zinc/26/02/88/945260288.db2.gz VGDQTXQPOQDJNX-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506448786 945260290 /nfs/dbraw/zinc/26/02/90/945260290.db2.gz VGDQTXQPOQDJNX-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP OCC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507516767 945279817 /nfs/dbraw/zinc/27/98/17/945279817.db2.gz WTAMVSVSRMOMCC-WBADGQHESA-N 2 1 350.506 3.610 20 0 FHADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000507517238 945280243 /nfs/dbraw/zinc/28/02/43/945280243.db2.gz YVZSLEAQFHGSDK-XAPVIXHLSA-N 2 1 374.569 3.600 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](c3ncc[nH]3)C3CCCCC3)CC2)nc(C)[nH+]1 ZINC000375883087 940013724 /nfs/dbraw/zinc/01/37/24/940013724.db2.gz ALEVLJUZGDSUQP-FQEVSTJZSA-N 2 1 368.529 3.697 20 0 FHADMP C[NH+](C)[C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccccc1 ZINC000431653759 940044350 /nfs/dbraw/zinc/04/43/50/940044350.db2.gz MFOYQHQBMNQIJW-WOJBJXKFSA-N 2 1 373.928 3.752 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883672 940084887 /nfs/dbraw/zinc/08/48/87/940084887.db2.gz QAJZTFGBVSMOLE-MJGOQNOKSA-N 2 1 367.578 3.686 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883672 940084889 /nfs/dbraw/zinc/08/48/89/940084889.db2.gz QAJZTFGBVSMOLE-MJGOQNOKSA-N 2 1 367.578 3.686 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883672 940084893 /nfs/dbraw/zinc/08/48/93/940084893.db2.gz QAJZTFGBVSMOLE-MJGOQNOKSA-N 2 1 367.578 3.686 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000516854785 945295246 /nfs/dbraw/zinc/29/52/46/945295246.db2.gz KHPTUKJOBCEQNJ-TZYHBYERSA-N 2 1 350.506 3.801 20 0 FHADMP CSc1cc(Br)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482544 940100656 /nfs/dbraw/zinc/10/06/56/940100656.db2.gz NXADTPAOFGBOHH-UHFFFAOYSA-N 2 1 355.345 3.887 20 0 FHADMP CSc1cc(Br)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482544 940100660 /nfs/dbraw/zinc/10/06/60/940100660.db2.gz NXADTPAOFGBOHH-UHFFFAOYSA-N 2 1 355.345 3.887 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCCC5)[C@H]3C2)cc1 ZINC000507519942 945299086 /nfs/dbraw/zinc/29/90/86/945299086.db2.gz LQGVXYUROCZODA-CBZNWHGESA-N 2 1 366.549 3.834 20 0 FHADMP C[NH+](C)C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507526210 945303298 /nfs/dbraw/zinc/30/32/98/945303298.db2.gz LKWNBYIRLRAFQE-KEZOAJOQSA-N 2 1 363.549 3.790 20 0 FHADMP CC[C@H]1C[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497671 940375880 /nfs/dbraw/zinc/37/58/80/940375880.db2.gz PXSBKZJRURFWBP-WMZOPIPTSA-N 2 1 360.523 3.895 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497671 940375883 /nfs/dbraw/zinc/37/58/83/940375883.db2.gz PXSBKZJRURFWBP-WMZOPIPTSA-N 2 1 360.523 3.895 20 0 FHADMP C[N@@H+](CCc1ccc(C(C)(C)C)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685847991 940455939 /nfs/dbraw/zinc/45/59/39/940455939.db2.gz ICDGTVQDBUQAGM-QFIPXVFZSA-N 2 1 357.586 3.627 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685850986 940464478 /nfs/dbraw/zinc/46/44/78/940464478.db2.gz XUHWLZYZNGZOQQ-VXKWHMMOSA-N 2 1 370.537 3.695 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1 ZINC000414073680 940481784 /nfs/dbraw/zinc/48/17/84/940481784.db2.gz NHTAHDDKKQWDKB-IBGZPJMESA-N 2 1 367.537 3.602 20 0 FHADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000431763412 940482429 /nfs/dbraw/zinc/48/24/29/940482429.db2.gz AZYAXSDSWKHVHJ-JOCHJYFZSA-N 2 1 371.569 3.794 20 0 FHADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000431763413 940482499 /nfs/dbraw/zinc/48/24/99/940482499.db2.gz AZYAXSDSWKHVHJ-QFIPXVFZSA-N 2 1 371.569 3.794 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000414090475 940495750 /nfs/dbraw/zinc/49/57/50/940495750.db2.gz DERAOCGUHBBKRB-QZTJIDSGSA-N 2 1 360.546 3.634 20 0 FHADMP Fc1ccc(-c2noc([C@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000161751265 940495911 /nfs/dbraw/zinc/49/59/11/940495911.db2.gz UTHYVOSHCHUKEG-SFHVURJKSA-N 2 1 372.488 3.931 20 0 FHADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000161751265 940495912 /nfs/dbraw/zinc/49/59/12/940495912.db2.gz UTHYVOSHCHUKEG-SFHVURJKSA-N 2 1 372.488 3.931 20 0 FHADMP Fc1cccc(-c2noc([C@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)n2)c1 ZINC000161753289 940502318 /nfs/dbraw/zinc/50/23/18/940502318.db2.gz QTTGVXIGXJUGFA-SFHVURJKSA-N 2 1 372.488 3.931 20 0 FHADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)n2)c1 ZINC000161753289 940502320 /nfs/dbraw/zinc/50/23/20/940502320.db2.gz QTTGVXIGXJUGFA-SFHVURJKSA-N 2 1 372.488 3.931 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122362 940618956 /nfs/dbraw/zinc/61/89/56/940618956.db2.gz NWHUSYSQSFIEIR-FPOVZHCZSA-N 2 1 363.977 3.983 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414130794 940643932 /nfs/dbraw/zinc/64/39/32/940643932.db2.gz WWHXHZHRKCPOGR-SXLOBPIMSA-N 2 1 350.934 3.803 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000519360241 945337337 /nfs/dbraw/zinc/33/73/37/945337337.db2.gz TZCXBALEJKYICA-RTBURBONSA-N 2 1 359.558 3.911 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCN2CCOCC2)cc1 ZINC000170694507 940782700 /nfs/dbraw/zinc/78/27/00/940782700.db2.gz LNGBTKMLGGECTP-LJQANCHMSA-N 2 1 373.541 3.502 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000170694507 940782702 /nfs/dbraw/zinc/78/27/02/940782702.db2.gz LNGBTKMLGGECTP-LJQANCHMSA-N 2 1 373.541 3.502 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000170694507 940782704 /nfs/dbraw/zinc/78/27/04/940782704.db2.gz LNGBTKMLGGECTP-LJQANCHMSA-N 2 1 373.541 3.502 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221433 940791920 /nfs/dbraw/zinc/79/19/20/940791920.db2.gz KWWXSFIBFFHUSS-TYFWRSTJSA-N 2 1 350.506 3.799 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414225937 940795656 /nfs/dbraw/zinc/79/56/56/940795656.db2.gz UNKKSVXFVNLXOT-PKTZIBPZSA-N 2 1 368.496 3.735 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892579931 940826601 /nfs/dbraw/zinc/82/66/01/940826601.db2.gz DCQKPZSMOTYQBU-KRWDZBQOSA-N 2 1 352.526 3.819 20 0 FHADMP C[N@@H+](CCC1CCCCC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000507595676 945357788 /nfs/dbraw/zinc/35/77/88/945357788.db2.gz HPPASZZGTMFRBI-UHFFFAOYSA-N 2 1 371.569 3.801 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H](C)C1 ZINC000414343796 941013932 /nfs/dbraw/zinc/01/39/32/941013932.db2.gz RBQRLBHKLLFCJL-QTPAZIJBSA-N 2 1 360.542 3.525 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544016 941065828 /nfs/dbraw/zinc/06/58/28/941065828.db2.gz VOOQMCSRTQRRIG-JKSUJKDBSA-N 2 1 367.331 3.669 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)C1CC1 ZINC000511508561 941073981 /nfs/dbraw/zinc/07/39/81/941073981.db2.gz VJRVBIZQWGTWDA-UHFFFAOYSA-N 2 1 357.542 3.710 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892669394 941120866 /nfs/dbraw/zinc/12/08/66/941120866.db2.gz GUGNVVGRQKLRNG-LPHOPBHVSA-N 2 1 370.459 3.567 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1)C1CC1 ZINC000511512935 941146228 /nfs/dbraw/zinc/14/62/28/941146228.db2.gz NGBYNOJGJRMDKO-QFIPXVFZSA-N 2 1 365.521 3.704 20 0 FHADMP C[C@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311568144 941332368 /nfs/dbraw/zinc/33/23/68/941332368.db2.gz ZLNHYWAXNXHAMV-LJQANCHMSA-N 2 1 369.475 3.515 20 0 FHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041635 941561496 /nfs/dbraw/zinc/56/14/96/941561496.db2.gz LNLBRTAGGFJQQY-CVEARBPZSA-N 2 1 372.431 3.600 20 0 FHADMP COc1ccc(C2CCC([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC2)cc1 ZINC000415046670 941564420 /nfs/dbraw/zinc/56/44/20/941564420.db2.gz DBIVGJZWKVHBIV-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000415052123 941567465 /nfs/dbraw/zinc/56/74/65/941567465.db2.gz HRQUKGQRSPHREO-SJKOYZFVSA-N 2 1 352.404 3.512 20 0 FHADMP [NH3+]CCC[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccccc1 ZINC000415058127 941570618 /nfs/dbraw/zinc/57/06/18/941570618.db2.gz SOMJOKDBKYLMTP-IBGZPJMESA-N 2 1 373.863 3.630 20 0 FHADMP c1ccc([C@H]2CCCC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000415057665 941571066 /nfs/dbraw/zinc/57/10/66/941571066.db2.gz RZLAFDANUOAQBD-HNBJWRTHSA-N 2 1 355.570 3.909 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C[NH3+])C3CCCC3)c2)cc1 ZINC000415061312 941579236 /nfs/dbraw/zinc/57/92/36/941579236.db2.gz CHAJJUSZPJWZBW-OAQYLSRUSA-N 2 1 367.493 3.555 20 0 FHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000415088950 941598056 /nfs/dbraw/zinc/59/80/56/941598056.db2.gz YGVMYIGRWHEHCG-PXNSSMCTSA-N 2 1 366.509 3.734 20 0 FHADMP c1sc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1-c1ccccn1 ZINC000415104197 941606102 /nfs/dbraw/zinc/60/61/02/941606102.db2.gz KUXXKKKWDSSHKU-IEBWSBKVSA-N 2 1 364.518 3.831 20 0 FHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CCCO1 ZINC000415110515 941610883 /nfs/dbraw/zinc/61/08/83/941610883.db2.gz PIOZJTOJZKIBSJ-OAHLLOKOSA-N 2 1 370.440 3.984 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CCCO1 ZINC000415110515 941610885 /nfs/dbraw/zinc/61/08/85/941610885.db2.gz PIOZJTOJZKIBSJ-OAHLLOKOSA-N 2 1 370.440 3.984 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)C1 ZINC000415118935 941614686 /nfs/dbraw/zinc/61/46/86/941614686.db2.gz DTXSJKRXNRQRLO-NVXWUHKLSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000415124382 941619472 /nfs/dbraw/zinc/61/94/72/941619472.db2.gz MPNOTVMZVWXKJC-DLBZAZTESA-N 2 1 360.395 3.563 20 0 FHADMP CC[C@](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)(C(=O)OC)c1ccccc1 ZINC000415139161 941626765 /nfs/dbraw/zinc/62/67/65/941626765.db2.gz LAVSNAKGBGRKBN-QNWVGRARSA-N 2 1 366.505 3.590 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4C)o3)C2)CC1 ZINC000093132983 941873151 /nfs/dbraw/zinc/87/31/51/941873151.db2.gz BIWYSNHQYCSTLN-IBGZPJMESA-N 2 1 371.500 3.606 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+]CCCc3cnccc3C)CC2)cs1 ZINC000377659074 941880468 /nfs/dbraw/zinc/88/04/68/941880468.db2.gz LVQTVVCMTDFDJD-UHFFFAOYSA-N 2 1 372.582 3.843 20 0 FHADMP CCc1ccc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392884 941888578 /nfs/dbraw/zinc/88/85/78/941888578.db2.gz ZFSODDRAQKLJME-HSZRJFAPSA-N 2 1 357.586 3.845 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)c1csc(CC[NH3+])n1)C1CCCCC1 ZINC000262370099 941890163 /nfs/dbraw/zinc/89/01/63/941890163.db2.gz LVFLFMVPTAUQMJ-UHFFFAOYSA-N 2 1 372.538 3.661 20 0 FHADMP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000513449891 941937231 /nfs/dbraw/zinc/93/72/31/941937231.db2.gz BOKDQPGNGDILST-ZBJSNUHESA-N 2 1 363.549 3.840 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000377761120 941967012 /nfs/dbraw/zinc/96/70/12/941967012.db2.gz LGWNIPJPNHSPIW-DYESRHJHSA-N 2 1 350.466 3.761 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000513627713 942053236 /nfs/dbraw/zinc/05/32/36/942053236.db2.gz XSTLQRDLPAVILM-FCHUYYIVSA-N 2 1 365.521 3.704 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513652496 942056322 /nfs/dbraw/zinc/05/63/22/942056322.db2.gz ASSZPRTVQULMKO-NJYVYQBISA-N 2 1 352.526 3.958 20 0 FHADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513666250 942064539 /nfs/dbraw/zinc/06/45/39/942064539.db2.gz KIEQPVNQNBRHBU-VSKRKVRLSA-N 2 1 352.526 3.576 20 0 FHADMP OC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217109 942132082 /nfs/dbraw/zinc/13/20/82/942132082.db2.gz IYRVBHLBJNLSRF-ZENOOKHLSA-N 2 1 362.823 3.609 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000415912227 942145227 /nfs/dbraw/zinc/14/52/27/942145227.db2.gz BSJPBBPFBISMBJ-UHFFFAOYSA-N 2 1 368.525 3.958 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415934312 942159967 /nfs/dbraw/zinc/15/99/67/942159967.db2.gz PMZGQFZGOUAADJ-HDICACEKSA-N 2 1 360.546 3.676 20 0 FHADMP CC(C)n1nccc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000280326029 942160745 /nfs/dbraw/zinc/16/07/45/942160745.db2.gz RHIKVJAMNXHIBE-UHFFFAOYSA-N 2 1 355.530 3.854 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415935231 942162279 /nfs/dbraw/zinc/16/22/79/942162279.db2.gz RHOCVCJTHVESMH-DYESRHJHSA-N 2 1 366.509 3.753 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000415961710 942201489 /nfs/dbraw/zinc/20/14/89/942201489.db2.gz WDTVCHLLWFZJOR-UHFFFAOYSA-N 2 1 354.498 3.570 20 0 FHADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697677 942204606 /nfs/dbraw/zinc/20/46/06/942204606.db2.gz QNEGVVZQRGFQNF-CMOCDZPBSA-N 2 1 364.537 3.547 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000415967295 942206628 /nfs/dbraw/zinc/20/66/28/942206628.db2.gz BCVSUMIZRCBLFF-DYESRHJHSA-N 2 1 366.509 3.581 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415972742 942210191 /nfs/dbraw/zinc/21/01/91/942210191.db2.gz ISTXBBRIOSYUHH-QGZVFWFLSA-N 2 1 358.530 3.654 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979377 942221629 /nfs/dbraw/zinc/22/16/29/942221629.db2.gz QRBFKPUVRDQUAS-KRWDZBQOSA-N 2 1 366.509 3.841 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415983074 942222664 /nfs/dbraw/zinc/22/26/64/942222664.db2.gz YXCCBDBKUJYLJJ-DYESRHJHSA-N 2 1 366.509 3.662 20 0 FHADMP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000415981056 942225332 /nfs/dbraw/zinc/22/53/32/942225332.db2.gz UOTOMNUOWQZPBJ-FXAWDEMLSA-N 2 1 366.509 3.568 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3ccc(Cl)cc3)CC2)CC1 ZINC000420983776 942281760 /nfs/dbraw/zinc/28/17/60/942281760.db2.gz ROUQTVWPNRZTGU-HYXAFXHYSA-N 2 1 361.961 3.845 20 0 FHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000501079942 942299104 /nfs/dbraw/zinc/29/91/04/942299104.db2.gz VNQVWWOEUUMXAK-HSZRJFAPSA-N 2 1 357.586 3.672 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C[C@H](C)O1 ZINC000502273548 942324826 /nfs/dbraw/zinc/32/48/26/942324826.db2.gz KXGVBSAAUVTGQM-JQVVWYNYSA-N 2 1 372.553 3.735 20 0 FHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180221360 942338878 /nfs/dbraw/zinc/33/88/78/942338878.db2.gz XCDJYIQXHAMNPK-KNXWPPODSA-N 2 1 353.551 3.532 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180221360 942338883 /nfs/dbraw/zinc/33/88/83/942338883.db2.gz XCDJYIQXHAMNPK-KNXWPPODSA-N 2 1 353.551 3.532 20 0 FHADMP CCN(C(C)=O)c1nc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cs1 ZINC000236813240 942379273 /nfs/dbraw/zinc/37/92/73/942379273.db2.gz ACTLBDVWTYRHDI-UHFFFAOYSA-N 2 1 374.554 3.646 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000501417182 942458278 /nfs/dbraw/zinc/45/82/78/942458278.db2.gz BYCDALXONAYPMV-UHFFFAOYSA-N 2 1 371.525 3.864 20 0 FHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501419505 942467697 /nfs/dbraw/zinc/46/76/97/942467697.db2.gz GXSVORPYHMNLNT-WMZHIEFXSA-N 2 1 365.521 3.730 20 0 FHADMP Cc1nccn1C[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000513713754 942475551 /nfs/dbraw/zinc/47/55/51/942475551.db2.gz SQVMOHGKBVMRBD-OSFYOIPJSA-N 2 1 354.542 3.860 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000513713754 942475554 /nfs/dbraw/zinc/47/55/54/942475554.db2.gz SQVMOHGKBVMRBD-OSFYOIPJSA-N 3 1 354.542 3.860 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000513713754 942475557 /nfs/dbraw/zinc/47/55/57/942475557.db2.gz SQVMOHGKBVMRBD-OSFYOIPJSA-N 3 1 354.542 3.860 20 0 FHADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000501460414 942494415 /nfs/dbraw/zinc/49/44/15/942494415.db2.gz GIXAPRVDCSDSES-PZDNBGKCSA-N 2 1 350.506 3.563 20 0 FHADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000501460414 942494422 /nfs/dbraw/zinc/49/44/22/942494422.db2.gz GIXAPRVDCSDSES-PZDNBGKCSA-N 2 1 350.506 3.563 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000501491937 942500391 /nfs/dbraw/zinc/50/03/91/942500391.db2.gz PPLZFAGPQYJRHQ-ZUTYSQTGSA-N 2 1 370.459 3.935 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000421369802 942519795 /nfs/dbraw/zinc/51/97/95/942519795.db2.gz HTNFETWHIATGFC-UHFFFAOYSA-N 2 1 357.586 3.845 20 0 FHADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501550982 942544716 /nfs/dbraw/zinc/54/47/16/942544716.db2.gz MASNOVCGTPWLNW-BBRMVZONSA-N 2 1 353.304 3.737 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501550982 942544719 /nfs/dbraw/zinc/54/47/19/942544719.db2.gz MASNOVCGTPWLNW-BBRMVZONSA-N 2 1 353.304 3.737 20 0 FHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC2([NH3+])CCC2)n1 ZINC000420226945 942573503 /nfs/dbraw/zinc/57/35/03/942573503.db2.gz HTDKNCRNTKAOPK-UHFFFAOYSA-N 2 1 367.522 3.713 20 0 FHADMP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(F)F)nc2ccc(Cl)cc21 ZINC000664246381 942580197 /nfs/dbraw/zinc/58/01/97/942580197.db2.gz YZFUYNODBLVZFM-UHFFFAOYSA-N 2 1 371.863 3.516 20 0 FHADMP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(F)F)nc2ccc(Cl)cc21 ZINC000664246381 942580206 /nfs/dbraw/zinc/58/02/06/942580206.db2.gz YZFUYNODBLVZFM-UHFFFAOYSA-N 2 1 371.863 3.516 20 0 FHADMP C[C@@H]([NH3+])[C@@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420275117 942600328 /nfs/dbraw/zinc/60/03/28/942600328.db2.gz ZBQUALQTVQXXRS-CHWSQXEVSA-N 2 1 355.511 3.568 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCCC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000420311606 942615339 /nfs/dbraw/zinc/61/53/39/942615339.db2.gz NUCBVUYDSZWBQQ-HNNXBMFYSA-N 2 1 358.452 3.580 20 0 FHADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420316661 942618151 /nfs/dbraw/zinc/61/81/51/942618151.db2.gz MXMGREFPKLYEDO-ZDUSSCGKSA-N 2 1 358.313 3.644 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2csc(Br)c2)cc1 ZINC000420315340 942618197 /nfs/dbraw/zinc/61/81/97/942618197.db2.gz LSCSXDRFBIXQMR-AWEZNQCLSA-N 2 1 369.328 3.694 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2csc(Br)c2)cc1 ZINC000420315340 942618203 /nfs/dbraw/zinc/61/82/03/942618203.db2.gz LSCSXDRFBIXQMR-AWEZNQCLSA-N 2 1 369.328 3.694 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340189 942623813 /nfs/dbraw/zinc/62/38/13/942623813.db2.gz MTDUBIPXOZSIRM-OTWHNJEPSA-N 2 1 357.542 3.767 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332005 942631284 /nfs/dbraw/zinc/63/12/84/942631284.db2.gz RDJFNCIOWMVSRZ-CABCVRRESA-N 2 1 358.507 3.509 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368964 942642844 /nfs/dbraw/zinc/64/28/44/942642844.db2.gz XEIWTMMAXBUQFF-LJQANCHMSA-N 2 1 372.484 3.558 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420371983 942644522 /nfs/dbraw/zinc/64/45/22/942644522.db2.gz DXUQHWQHFGEURP-ZHALLVOQSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420371983 942644526 /nfs/dbraw/zinc/64/45/26/942644526.db2.gz DXUQHWQHFGEURP-ZHALLVOQSA-N 2 1 351.494 3.597 20 0 FHADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420373449 942644620 /nfs/dbraw/zinc/64/46/20/942644620.db2.gz RBLAEMZMHMHOLF-OAHLLOKOSA-N 2 1 358.313 3.819 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383425 942647999 /nfs/dbraw/zinc/64/79/99/942647999.db2.gz ZRKYQUYPEIVGPA-RDJZCZTQSA-N 2 1 356.432 3.792 20 0 FHADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385024 942648985 /nfs/dbraw/zinc/64/89/85/942648985.db2.gz FBSFFXVHMIOXKC-PZJWPPBQSA-N 2 1 365.521 3.657 20 0 FHADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385024 942648991 /nfs/dbraw/zinc/64/89/91/942648991.db2.gz FBSFFXVHMIOXKC-PZJWPPBQSA-N 2 1 365.521 3.657 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420386519 942649848 /nfs/dbraw/zinc/64/98/48/942649848.db2.gz GABGFXHRWMQVEH-IRLDBZIGSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420386519 942649851 /nfs/dbraw/zinc/64/98/51/942649851.db2.gz GABGFXHRWMQVEH-IRLDBZIGSA-N 2 1 363.505 3.903 20 0 FHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000513755638 942740562 /nfs/dbraw/zinc/74/05/62/942740562.db2.gz TWFIAVJEPBZCPE-QGZVFWFLSA-N 2 1 374.475 3.908 20 0 FHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCCO[C@H]2CCCCO2)CC3)cc1 ZINC000514118622 942767017 /nfs/dbraw/zinc/76/70/17/942767017.db2.gz LKBYGBDKTJEVKE-QFIPXVFZSA-N 2 1 372.553 3.908 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421836264 942839542 /nfs/dbraw/zinc/83/95/42/942839542.db2.gz GQKJBXSBIJFILW-YJBOKZPZSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421836264 942839544 /nfs/dbraw/zinc/83/95/44/942839544.db2.gz GQKJBXSBIJFILW-YJBOKZPZSA-N 2 1 359.901 3.543 20 0 FHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000421836006 942839778 /nfs/dbraw/zinc/83/97/78/942839778.db2.gz GFSQLEGECHHCOS-DNVCBOLYSA-N 2 1 374.912 3.766 20 0 FHADMP Cc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248352 942849553 /nfs/dbraw/zinc/84/95/53/942849553.db2.gz ORKPNTZSHUCPOE-SJLPKXTDSA-N 2 1 353.510 3.991 20 0 FHADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000503051168 942926636 /nfs/dbraw/zinc/92/66/36/942926636.db2.gz HMCWOUFNTKUNLK-IBGZPJMESA-N 2 1 361.533 3.858 20 0 FHADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079480 942963138 /nfs/dbraw/zinc/96/31/38/942963138.db2.gz DSMPWHUNHVGMBM-YADHBBJMSA-N 2 1 365.521 3.518 20 0 FHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079480 942963142 /nfs/dbraw/zinc/96/31/42/942963142.db2.gz DSMPWHUNHVGMBM-YADHBBJMSA-N 2 1 365.521 3.518 20 0 FHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079480 942963147 /nfs/dbraw/zinc/96/31/47/942963147.db2.gz DSMPWHUNHVGMBM-YADHBBJMSA-N 2 1 365.521 3.518 20 0 FHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079480 942963152 /nfs/dbraw/zinc/96/31/52/942963152.db2.gz DSMPWHUNHVGMBM-YADHBBJMSA-N 2 1 365.521 3.518 20 0 FHADMP C[C@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000309735975 942974930 /nfs/dbraw/zinc/97/49/30/942974930.db2.gz QNTDRDJVSYBZSA-LJQANCHMSA-N 2 1 374.326 3.846 20 0 FHADMP C[C@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309735975 942974937 /nfs/dbraw/zinc/97/49/37/942974937.db2.gz QNTDRDJVSYBZSA-LJQANCHMSA-N 2 1 374.326 3.846 20 0 FHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856655 943019153 /nfs/dbraw/zinc/01/91/53/943019153.db2.gz ZDOUFWFRIYXZJS-KXBFYZLASA-N 2 1 365.949 3.574 20 0 FHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000271729220 943041402 /nfs/dbraw/zinc/04/14/02/943041402.db2.gz BVIDHXPSOOCNPN-JOCHJYFZSA-N 2 1 365.521 3.561 20 0 FHADMP CCC[N@@H+](C[C@@H](OC)C1CCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000660073489 943052157 /nfs/dbraw/zinc/05/21/57/943052157.db2.gz GRICOWRIFORTCE-HXUWFJFHSA-N 2 1 360.546 3.589 20 0 FHADMP CCC[N@H+](C[C@@H](OC)C1CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073489 943052161 /nfs/dbraw/zinc/05/21/61/943052161.db2.gz GRICOWRIFORTCE-HXUWFJFHSA-N 2 1 360.546 3.589 20 0 FHADMP CCC[N@@H+](C[C@@H](OC)C1CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073489 943052168 /nfs/dbraw/zinc/05/21/68/943052168.db2.gz GRICOWRIFORTCE-HXUWFJFHSA-N 2 1 360.546 3.589 20 0 FHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000271861042 943062341 /nfs/dbraw/zinc/06/23/41/943062341.db2.gz KMQCDBFXDXUDCC-APWZRJJASA-N 2 1 362.489 3.686 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651319 943097806 /nfs/dbraw/zinc/09/78/06/943097806.db2.gz BXRHDKDHZJBQLT-SJORKVTESA-N 2 1 353.514 3.619 20 0 FHADMP C[NH2+]CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414864713 943107898 /nfs/dbraw/zinc/10/78/98/943107898.db2.gz ZUIQKDLERHLGGX-UHFFFAOYSA-N 2 1 366.292 3.945 20 0 FHADMP CC(C)N(C)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000435057722 943130917 /nfs/dbraw/zinc/13/09/17/943130917.db2.gz KRTHGVZHGUMALC-UHFFFAOYSA-N 2 1 367.541 3.839 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000414662368 943145377 /nfs/dbraw/zinc/14/53/77/943145377.db2.gz RDMDRHKSCZTPHE-PGRDOPGGSA-N 2 1 360.505 3.768 20 0 FHADMP C[NH+](CCCCCC[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000272378969 943146790 /nfs/dbraw/zinc/14/67/90/943146790.db2.gz QYFFLIPMIUYHFT-UHFFFAOYSA-N 2 1 354.542 3.686 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668699 943169396 /nfs/dbraw/zinc/16/93/96/943169396.db2.gz ZBJRQNPNNUZIMY-DZGCQCFKSA-N 2 1 360.420 3.586 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000514687647 943216165 /nfs/dbraw/zinc/21/61/65/943216165.db2.gz UDQSCVDDHPUBHV-STQMWFEESA-N 2 1 368.294 3.950 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414678935 943223040 /nfs/dbraw/zinc/22/30/40/943223040.db2.gz YOYTZAJDKDKRSB-YQQAZPJKSA-N 2 1 352.906 3.697 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414678935 943223046 /nfs/dbraw/zinc/22/30/46/943223046.db2.gz YOYTZAJDKDKRSB-YQQAZPJKSA-N 2 1 352.906 3.697 20 0 FHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422699334 943238046 /nfs/dbraw/zinc/23/80/46/943238046.db2.gz AKICCFXVIXIGAF-IAGOWNOFSA-N 2 1 371.481 3.641 20 0 FHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272948956 943248961 /nfs/dbraw/zinc/24/89/61/943248961.db2.gz UKWKPNMNEBHDPV-RXVVDRJESA-N 2 1 369.553 3.665 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)C1 ZINC000514725753 943250272 /nfs/dbraw/zinc/25/02/72/943250272.db2.gz CXHUTJZMDFRWSQ-NRFANRHFSA-N 2 1 374.532 3.948 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)C1 ZINC000514725753 943250277 /nfs/dbraw/zinc/25/02/77/943250277.db2.gz CXHUTJZMDFRWSQ-NRFANRHFSA-N 2 1 374.532 3.948 20 0 FHADMP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000503569314 943266719 /nfs/dbraw/zinc/26/67/19/943266719.db2.gz QBHVJUDVMAZBMH-VQQMMKBISA-N 2 1 360.542 3.591 20 0 FHADMP C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)c1c[nH+]ccc1N ZINC000422753105 943272217 /nfs/dbraw/zinc/27/22/17/943272217.db2.gz DPWDNHPBLTXPIR-LLVKDONJSA-N 2 1 352.251 3.679 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765693 943285606 /nfs/dbraw/zinc/28/56/06/943285606.db2.gz RBFOXJDFADBZDD-PSBWJHGTSA-N 2 1 369.475 3.805 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765693 943285609 /nfs/dbraw/zinc/28/56/09/943285609.db2.gz RBFOXJDFADBZDD-PSBWJHGTSA-N 2 1 369.475 3.805 20 0 FHADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832152 943298789 /nfs/dbraw/zinc/29/87/89/943298789.db2.gz URMZCZVZZUHNTM-UTKZUKDTSA-N 2 1 357.567 3.508 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836862 943300432 /nfs/dbraw/zinc/30/04/32/943300432.db2.gz KSEDREYIRFTFSZ-ZZTDLJEGSA-N 2 1 351.538 3.588 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cc(C(C)(C)C)cc3C)C2)CC1 ZINC000503645016 943308132 /nfs/dbraw/zinc/30/81/32/943308132.db2.gz BNFNNPSKFLJKQU-OAQYLSRUSA-N 2 1 357.586 3.813 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422865496 943311041 /nfs/dbraw/zinc/31/10/41/943311041.db2.gz YFQVTEDXCIVFOD-KXBFYZLASA-N 2 1 359.901 3.525 20 0 FHADMP C[C@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000422846188 943312962 /nfs/dbraw/zinc/31/29/62/943312962.db2.gz PMCTZSRPOJGWRI-SCLBCKFNSA-N 2 1 362.880 3.774 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422890410 943319786 /nfs/dbraw/zinc/31/97/86/943319786.db2.gz RXJXBLATFPGPSY-QNTYUMOHSA-N 3 1 366.553 3.656 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422890410 943319790 /nfs/dbraw/zinc/31/97/90/943319790.db2.gz RXJXBLATFPGPSY-QNTYUMOHSA-N 2 1 366.553 3.656 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422901090 943324723 /nfs/dbraw/zinc/32/47/23/943324723.db2.gz BJORKSOIEPCCLC-CRAIPNDOSA-N 2 1 358.917 3.853 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422895862 943331404 /nfs/dbraw/zinc/33/14/04/943331404.db2.gz XBFABDXLGWIHLI-GHTZIAJQSA-N 2 1 352.526 3.510 20 0 FHADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154115 943341164 /nfs/dbraw/zinc/34/11/64/943341164.db2.gz IZCOHVOFJXGVKP-KKSHJYNMSA-N 2 1 355.570 3.528 20 0 FHADMP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422959212 943350170 /nfs/dbraw/zinc/35/01/70/943350170.db2.gz RBDSHVZUCCLJMC-DXIQSLLYSA-N 2 1 350.462 3.582 20 0 FHADMP C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000414709474 943354392 /nfs/dbraw/zinc/35/43/92/943354392.db2.gz JZJAROZSANBOKK-HKUYNNGSSA-N 2 1 372.557 3.900 20 0 FHADMP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)C1CC[NH2+]CC1 ZINC000435375424 943356816 /nfs/dbraw/zinc/35/68/16/943356816.db2.gz UZHUOQRNUQZOEF-UHFFFAOYSA-N 2 1 360.420 3.600 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996934 943359641 /nfs/dbraw/zinc/35/96/41/943359641.db2.gz AJKQQBJPJWARMB-TZYAJKAJSA-N 3 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996934 943359649 /nfs/dbraw/zinc/35/96/49/943359649.db2.gz AJKQQBJPJWARMB-TZYAJKAJSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996934 943359656 /nfs/dbraw/zinc/35/96/56/943359656.db2.gz AJKQQBJPJWARMB-TZYAJKAJSA-N 2 1 365.565 3.835 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000435369314 943362476 /nfs/dbraw/zinc/36/24/76/943362476.db2.gz DLATUAIRVDSAQY-DNVCBOLYSA-N 2 1 350.466 3.610 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000435369314 943362477 /nfs/dbraw/zinc/36/24/77/943362477.db2.gz DLATUAIRVDSAQY-DNVCBOLYSA-N 2 1 350.466 3.610 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423002979 943362463 /nfs/dbraw/zinc/36/24/63/943362463.db2.gz KKHCOBBPOPUBFI-WFXMLNOXSA-N 3 1 366.553 3.800 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000435369316 943362918 /nfs/dbraw/zinc/36/29/18/943362918.db2.gz DLATUAIRVDSAQY-KXBFYZLASA-N 2 1 350.466 3.610 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000435369316 943362924 /nfs/dbraw/zinc/36/29/24/943362924.db2.gz DLATUAIRVDSAQY-KXBFYZLASA-N 2 1 350.466 3.610 20 0 FHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000435372273 943365813 /nfs/dbraw/zinc/36/58/13/943365813.db2.gz JKAMKSSYDNIINY-HOTGVXAUSA-N 2 1 352.507 3.770 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000435380341 943368624 /nfs/dbraw/zinc/36/86/24/943368624.db2.gz NSJODFOTVSYCID-IAGOWNOFSA-N 2 1 350.466 3.610 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1 ZINC000435380314 943368859 /nfs/dbraw/zinc/36/88/59/943368859.db2.gz NLGAVOCQEONTHV-KRWDZBQOSA-N 2 1 356.466 3.537 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1 ZINC000435380314 943368866 /nfs/dbraw/zinc/36/88/66/943368866.db2.gz NLGAVOCQEONTHV-KRWDZBQOSA-N 2 1 356.466 3.537 20 0 FHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435381258 943369504 /nfs/dbraw/zinc/36/95/04/943369504.db2.gz VUFCJCBVYMVRAA-RLAPIPATSA-N 2 1 373.504 3.649 20 0 FHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435381258 943369507 /nfs/dbraw/zinc/36/95/07/943369507.db2.gz VUFCJCBVYMVRAA-RLAPIPATSA-N 2 1 373.504 3.649 20 0 FHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000423044433 943375898 /nfs/dbraw/zinc/37/58/98/943375898.db2.gz BFLORJYUQBWFRD-NXHRZFHOSA-N 2 1 355.551 3.893 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414716691 943388887 /nfs/dbraw/zinc/38/88/87/943388887.db2.gz SOWDVJIEKAJCNY-FUHWJXTLSA-N 2 1 358.530 3.700 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000414716781 943389243 /nfs/dbraw/zinc/38/92/43/943389243.db2.gz SXTABYASIWUKPL-IBGZPJMESA-N 2 1 358.530 3.796 20 0 FHADMP Fc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)cc1Cl ZINC000423089332 943390339 /nfs/dbraw/zinc/39/03/39/943390339.db2.gz UUVDGVUIXOGUTB-MJGOQNOKSA-N 2 1 364.823 3.964 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122962 943397811 /nfs/dbraw/zinc/39/78/11/943397811.db2.gz KJZJKJPOYHKSQU-ODAXIHTASA-N 2 1 373.585 3.977 20 0 FHADMP CC[C@H](C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420331 943400509 /nfs/dbraw/zinc/40/05/09/943400509.db2.gz CQZFUZVHCSLFEW-QUCCMNQESA-N 2 1 352.526 3.558 20 0 FHADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423104790 943401711 /nfs/dbraw/zinc/40/17/11/943401711.db2.gz MRNDSXJGGOKJJR-NJDAHSKKSA-N 2 1 351.494 3.671 20 0 FHADMP C[C@H](Cc1ccccc1)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421146 943402231 /nfs/dbraw/zinc/40/22/31/943402231.db2.gz IAAANJPFEUKBJX-IEBWSBKVSA-N 2 1 355.551 3.966 20 0 FHADMP C[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000423107695 943403761 /nfs/dbraw/zinc/40/37/61/943403761.db2.gz QANYTWARTQTUAV-VHSSKADRSA-N 2 1 356.432 3.903 20 0 FHADMP COc1ccc([C@@H](C)C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435425185 943405209 /nfs/dbraw/zinc/40/52/09/943405209.db2.gz CMGIKEKUNREWGN-RDJZCZTQSA-N 2 1 359.539 3.675 20 0 FHADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1O ZINC000435426197 943406373 /nfs/dbraw/zinc/40/63/73/943406373.db2.gz GUGHIXHEPRMZAM-LJQANCHMSA-N 2 1 358.507 3.607 20 0 FHADMP C[N@@H+](CCOCc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000660166356 943408748 /nfs/dbraw/zinc/40/87/48/943408748.db2.gz OPFCRFXDGUCVNN-UHFFFAOYSA-N 2 1 353.510 3.837 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cc(C)cc(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428923 943408934 /nfs/dbraw/zinc/40/89/34/943408934.db2.gz VGOJQIOTPVSONJ-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cc(C)cc(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428923 943408936 /nfs/dbraw/zinc/40/89/36/943408936.db2.gz VGOJQIOTPVSONJ-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000584691166 943411262 /nfs/dbraw/zinc/41/12/62/943411262.db2.gz UMTDCMMPWHVSSM-WIYYLYMNSA-N 2 1 357.542 3.617 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000584691165 943411343 /nfs/dbraw/zinc/41/13/43/943411343.db2.gz UMTDCMMPWHVSSM-RXVVDRJESA-N 2 1 357.542 3.617 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000563060992 943413874 /nfs/dbraw/zinc/41/38/74/943413874.db2.gz SHOJXVKWKIJZSZ-ZWKOTPCHSA-N 2 1 365.521 3.868 20 0 FHADMP COc1ccc([C@@H](C)C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436949 943416408 /nfs/dbraw/zinc/41/64/08/943416408.db2.gz HOORTFXOGVJAAJ-QFBILLFUSA-N 2 1 371.550 3.900 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423181829 943430653 /nfs/dbraw/zinc/43/06/53/943430653.db2.gz DCJJGZZFUKNLTJ-GOSISDBHSA-N 2 1 360.299 3.601 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)s1 ZINC000423189025 943435525 /nfs/dbraw/zinc/43/55/25/943435525.db2.gz OLNUHZQBZRYLNL-LBPRGKRZSA-N 2 1 354.317 3.736 20 0 FHADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423202521 943440742 /nfs/dbraw/zinc/44/07/42/943440742.db2.gz QVNXTGVCNLUGTR-KRWDZBQOSA-N 2 1 356.514 3.701 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423204221 943441262 /nfs/dbraw/zinc/44/12/62/943441262.db2.gz DENOSSKOVRRYFP-GHMZBOCLSA-N 2 1 350.356 3.540 20 0 FHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000503986613 943442797 /nfs/dbraw/zinc/44/27/97/943442797.db2.gz LWGIGDASHQAIQE-FPOVZHCZSA-N 2 1 374.573 3.582 20 0 FHADMP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893297124 943447595 /nfs/dbraw/zinc/44/75/95/943447595.db2.gz JQWJXOARBSMZKO-LRCWTTKQSA-N 2 1 367.331 3.740 20 0 FHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423261257 943454112 /nfs/dbraw/zinc/45/41/12/943454112.db2.gz JGPAYKKCYZRKBR-OXJNMPFZSA-N 2 1 356.514 3.557 20 0 FHADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423281707 943470836 /nfs/dbraw/zinc/47/08/36/943470836.db2.gz UMIHLXSTCIYHPV-OQPBUACISA-N 2 1 351.210 3.856 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000423317903 943474759 /nfs/dbraw/zinc/47/47/59/943474759.db2.gz BEYIELKITSWABT-MVJTYMMSSA-N 2 1 356.432 3.851 20 0 FHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000423381367 943496713 /nfs/dbraw/zinc/49/67/13/943496713.db2.gz ZNTKWWJTLHCXLN-DNQDSGMMSA-N 2 1 364.480 3.595 20 0 FHADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C(C)C)c(Br)c1 ZINC000423385278 943497632 /nfs/dbraw/zinc/49/76/32/943497632.db2.gz QRWVGWHJXFOKEG-OGHNNQOOSA-N 2 1 355.320 3.885 20 0 FHADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C(C)C)c(Br)c1 ZINC000423385282 943497706 /nfs/dbraw/zinc/49/77/06/943497706.db2.gz QRWVGWHJXFOKEG-PBFPGSCMSA-N 2 1 355.320 3.885 20 0 FHADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C(C)C)c(Br)c1 ZINC000423385263 943497813 /nfs/dbraw/zinc/49/78/13/943497813.db2.gz QRWVGWHJXFOKEG-GDZNZVCISA-N 2 1 355.320 3.885 20 0 FHADMP COCCOCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000515093138 943499894 /nfs/dbraw/zinc/49/98/94/943499894.db2.gz CIIMJKWLTYHLDC-HSZRJFAPSA-N 2 1 374.569 3.794 20 0 FHADMP COCCOCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000515093138 943499897 /nfs/dbraw/zinc/49/98/97/943499897.db2.gz CIIMJKWLTYHLDC-HSZRJFAPSA-N 2 1 374.569 3.794 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318413 943504590 /nfs/dbraw/zinc/50/45/90/943504590.db2.gz YVWXFXRHZWHZIC-OSTWSGHESA-N 2 1 370.562 3.713 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318413 943504593 /nfs/dbraw/zinc/50/45/93/943504593.db2.gz YVWXFXRHZWHZIC-OSTWSGHESA-N 2 1 370.562 3.713 20 0 FHADMP CC1CC[NH+](CCC[C@H](N[C@H]2CC[NH2+]C[C@H]2C)c2ccc(F)cc2)CC1 ZINC000423402174 943507659 /nfs/dbraw/zinc/50/76/59/943507659.db2.gz RJDPIPRLZLLGKD-COPCDDAFSA-N 2 1 361.549 3.967 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000312447866 943511656 /nfs/dbraw/zinc/51/16/56/943511656.db2.gz JSHZMZUULIQMGU-JOCHJYFZSA-N 2 1 364.493 3.980 20 0 FHADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423465317 943523360 /nfs/dbraw/zinc/52/33/60/943523360.db2.gz HQTMKGSCOMOJCU-RIFZZMRRSA-N 2 1 372.484 3.887 20 0 FHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148395 943524102 /nfs/dbraw/zinc/52/41/02/943524102.db2.gz VWCPJVLTDHESQK-AZUAARDMSA-N 2 1 374.573 3.502 20 0 FHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423481726 943527997 /nfs/dbraw/zinc/52/79/97/943527997.db2.gz QLIYCYWKACSVMT-WMZOPIPTSA-N 2 1 365.855 3.853 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000423499016 943529555 /nfs/dbraw/zinc/52/95/55/943529555.db2.gz AAYPVLNGYNLICO-JEYLPNPQSA-N 2 1 356.341 3.860 20 0 FHADMP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423494924 943536893 /nfs/dbraw/zinc/53/68/93/943536893.db2.gz STKVJZGXXVQNMD-DOTOQJQBSA-N 2 1 350.915 3.653 20 0 FHADMP C[C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1Cc1ccccc1 ZINC000423530970 943538372 /nfs/dbraw/zinc/53/83/72/943538372.db2.gz RYPFMRCCFTVPFI-YUOBQYBGSA-N 2 1 367.581 3.783 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528440 943538703 /nfs/dbraw/zinc/53/87/03/943538703.db2.gz ODMAFCJXLNWHNH-ZJIAUBBJSA-N 2 1 353.554 3.565 20 0 FHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528440 943538706 /nfs/dbraw/zinc/53/87/06/943538706.db2.gz ODMAFCJXLNWHNH-ZJIAUBBJSA-N 2 1 353.554 3.565 20 0 FHADMP Fc1ccccc1[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423511135 943541486 /nfs/dbraw/zinc/54/14/86/943541486.db2.gz NLAPCIQXYISFGM-AJTFCVKESA-N 2 1 359.533 3.863 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000423519841 943544043 /nfs/dbraw/zinc/54/40/43/943544043.db2.gz QPZKFHGAHZKFGT-WDGBRCNXSA-N 2 1 364.537 3.616 20 0 FHADMP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423519771 943544071 /nfs/dbraw/zinc/54/40/71/943544071.db2.gz DPQOPBBOGVEXSY-BVXKKWFLSA-N 2 1 367.581 3.640 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCCC[C@H]3[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538024 943550837 /nfs/dbraw/zinc/55/08/37/943550837.db2.gz LVOFVCXVRUAQLU-XPWALMASSA-N 3 1 353.554 3.577 20 0 FHADMP CC(=O)Nc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435696045 943561505 /nfs/dbraw/zinc/56/15/05/943561505.db2.gz SYYYMCAKOJCAON-HXUWFJFHSA-N 2 1 369.534 3.851 20 0 FHADMP COc1cc(C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751697 943562973 /nfs/dbraw/zinc/56/29/73/943562973.db2.gz SXLIIHVCAGFMNC-ZFWWWQNUSA-N 2 1 354.441 3.649 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423729283 943606044 /nfs/dbraw/zinc/60/60/44/943606044.db2.gz NSCNCAVKCFMEFL-HNJRGHQBSA-N 2 1 357.542 3.576 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962252 943650005 /nfs/dbraw/zinc/65/00/05/943650005.db2.gz DQZDCPILNWALBD-NHCUHLMSSA-N 2 1 357.542 3.521 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000423986428 943673868 /nfs/dbraw/zinc/67/38/68/943673868.db2.gz XZVMQNIZXVUSTA-RTWAWAEBSA-N 2 1 357.542 3.523 20 0 FHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)c2)cc1 ZINC000414771646 943700218 /nfs/dbraw/zinc/70/02/18/943700218.db2.gz ACXVXWCZYYLSBQ-QFIPXVFZSA-N 2 1 350.506 3.849 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)[C@H]1C[C@@H]1c1cccs1 ZINC000367439996 943740149 /nfs/dbraw/zinc/74/01/49/943740149.db2.gz YWSGRVRDAKWLOB-DBVUQKKJSA-N 2 1 355.551 3.932 20 0 FHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424143965 943749938 /nfs/dbraw/zinc/74/99/38/943749938.db2.gz KLJRPMHTXSVAKH-MOPGFXCFSA-N 2 1 360.546 3.687 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc12 ZINC000894287951 943771821 /nfs/dbraw/zinc/77/18/21/943771821.db2.gz MSQUECVAKRKAKG-CRAIPNDOSA-N 2 1 356.495 3.765 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc12 ZINC000894287951 943771824 /nfs/dbraw/zinc/77/18/24/943771824.db2.gz MSQUECVAKRKAKG-CRAIPNDOSA-N 2 1 356.495 3.765 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778002 943779297 /nfs/dbraw/zinc/77/92/97/943779297.db2.gz IUOPXOXIZRHQGC-HZPDHXFCSA-N 2 1 352.906 3.569 20 0 FHADMP COC(=O)c1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(C(F)(F)F)c1 ZINC000894288494 943792455 /nfs/dbraw/zinc/79/24/55/943792455.db2.gz UZXRPFDDNJTWIB-UHFFFAOYSA-N 2 1 369.387 3.567 20 0 FHADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000584869021 943821513 /nfs/dbraw/zinc/82/15/13/943821513.db2.gz RXCCSBUKWNIQEM-CTNGQTDRSA-N 2 1 367.537 3.913 20 0 FHADMP c1c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc2ccccn12 ZINC000516926447 943833413 /nfs/dbraw/zinc/83/34/13/943833413.db2.gz NCXIAPKFWKJSBY-HXUWFJFHSA-N 2 1 360.505 3.664 20 0 FHADMP c1c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc2ccccn12 ZINC000516926447 943833419 /nfs/dbraw/zinc/83/34/19/943833419.db2.gz NCXIAPKFWKJSBY-HXUWFJFHSA-N 2 1 360.505 3.664 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279023 943833960 /nfs/dbraw/zinc/83/39/60/943833960.db2.gz JWEPIDZNDRBXRT-HKUYNNGSSA-N 2 1 359.539 3.517 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279023 943833963 /nfs/dbraw/zinc/83/39/63/943833963.db2.gz JWEPIDZNDRBXRT-HKUYNNGSSA-N 2 1 359.539 3.517 20 0 FHADMP C[C@@H]1CC2(C[N@@H+]1Cc1c(F)ccc(Br)c1F)CC[NH2+]CC2 ZINC000424282761 943836166 /nfs/dbraw/zinc/83/61/66/943836166.db2.gz AGWCHNLFDHVROJ-LLVKDONJSA-N 2 1 359.258 3.691 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1c(F)ccc(Br)c1F)CC[NH2+]CC2 ZINC000424282761 943836171 /nfs/dbraw/zinc/83/61/71/943836171.db2.gz AGWCHNLFDHVROJ-LLVKDONJSA-N 2 1 359.258 3.691 20 0 FHADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cccc(OC(F)(F)F)c1 ZINC000424283968 943836656 /nfs/dbraw/zinc/83/66/56/943836656.db2.gz NRJYVHBOQFCHIQ-GFCCVEGCSA-N 2 1 369.387 3.891 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(Cl)c1 ZINC000424359297 943864314 /nfs/dbraw/zinc/86/43/14/943864314.db2.gz YIAPDRMXZHZQLU-AWEZNQCLSA-N 2 1 363.889 3.535 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OCc1ccccc1 ZINC000424365959 943879328 /nfs/dbraw/zinc/87/93/28/943879328.db2.gz ICNXEPZIKBZASJ-RTBURBONSA-N 2 1 370.493 3.642 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424374220 943885462 /nfs/dbraw/zinc/88/54/62/943885462.db2.gz HWBJDHWAWGKINT-AWEZNQCLSA-N 2 1 374.479 3.731 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl)CC[NH2+]CC2 ZINC000424385239 943893621 /nfs/dbraw/zinc/89/36/21/943893621.db2.gz WDMQSLJUNVUHGL-OAHLLOKOSA-N 2 1 358.917 3.705 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414786157 943905433 /nfs/dbraw/zinc/90/54/33/943905433.db2.gz UEPDFOZYRBBYOB-WOJBJXKFSA-N 2 1 350.510 3.671 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000424442158 943917171 /nfs/dbraw/zinc/91/71/71/943917171.db2.gz XIRARZDOOHEYOB-YLJYHZDGSA-N 2 1 366.509 3.628 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000424445355 943918621 /nfs/dbraw/zinc/91/86/21/943918621.db2.gz OSQJIXRVBLYCMF-GOSISDBHSA-N 2 1 360.889 3.532 20 0 FHADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414789640 943933730 /nfs/dbraw/zinc/93/37/30/943933730.db2.gz FPGLMUMITOZOCE-GOSISDBHSA-N 2 1 354.523 3.733 20 0 FHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877232 943991460 /nfs/dbraw/zinc/99/14/60/943991460.db2.gz FSEXXRCQTQBHRO-OALUTQOASA-N 2 1 372.534 3.661 20 0 FHADMP C[C@H]1C[C@H](NCc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959176 944009755 /nfs/dbraw/zinc/00/97/55/944009755.db2.gz LNJZKYQSSJUJTD-GHTZIAJQSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CCN1Cc1ccccc1 ZINC000417959176 944009760 /nfs/dbraw/zinc/00/97/60/944009760.db2.gz LNJZKYQSSJUJTD-GHTZIAJQSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417959176 944009772 /nfs/dbraw/zinc/00/97/72/944009772.db2.gz LNJZKYQSSJUJTD-GHTZIAJQSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959176 944009774 /nfs/dbraw/zinc/00/97/74/944009774.db2.gz LNJZKYQSSJUJTD-GHTZIAJQSA-N 2 1 365.521 3.531 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000414879046 944039420 /nfs/dbraw/zinc/03/94/20/944039420.db2.gz OLHQMCLBRVXALM-INIZCTEOSA-N 2 1 374.916 3.530 20 0 FHADMP CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647937366 944041312 /nfs/dbraw/zinc/04/13/12/944041312.db2.gz WUEXRCHEACYWLM-JRGCBEDISA-N 2 1 371.569 3.707 20 0 FHADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647937366 944041322 /nfs/dbraw/zinc/04/13/22/944041322.db2.gz WUEXRCHEACYWLM-JRGCBEDISA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000437701652 944045296 /nfs/dbraw/zinc/04/52/96/944045296.db2.gz OZJXPOJUPLSKTR-GJZGRUSLSA-N 2 1 354.897 3.800 20 0 FHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000505136576 944066124 /nfs/dbraw/zinc/06/61/24/944066124.db2.gz SKQZMFZIXGIEEI-RTWAWAEBSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000505136576 944066132 /nfs/dbraw/zinc/06/61/32/944066132.db2.gz SKQZMFZIXGIEEI-RTWAWAEBSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000505136576 944066140 /nfs/dbraw/zinc/06/61/40/944066140.db2.gz SKQZMFZIXGIEEI-RTWAWAEBSA-N 2 1 359.558 3.524 20 0 FHADMP COc1ccsc1[C@@H](C)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364220656 944089363 /nfs/dbraw/zinc/08/93/63/944089363.db2.gz RDHFTQUJMBLPHG-MRXNPFEDSA-N 3 1 365.587 3.604 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000436281969 944162008 /nfs/dbraw/zinc/16/20/08/944162008.db2.gz HTUWDGCWVRZURO-LXHROKJGSA-N 2 1 370.537 3.609 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286027 944164600 /nfs/dbraw/zinc/16/46/00/944164600.db2.gz QKYIARMJQGRTMG-BVSLBCMMSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286027 944164604 /nfs/dbraw/zinc/16/46/04/944164604.db2.gz QKYIARMJQGRTMG-BVSLBCMMSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286027 944164608 /nfs/dbraw/zinc/16/46/08/944164608.db2.gz QKYIARMJQGRTMG-BVSLBCMMSA-N 2 1 365.606 3.510 20 0 FHADMP CCCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000515756143 944184800 /nfs/dbraw/zinc/18/48/00/944184800.db2.gz NLLORXRCGFGELA-MOPGFXCFSA-N 2 1 359.558 3.703 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000414916556 944193516 /nfs/dbraw/zinc/19/35/16/944193516.db2.gz PYICMHKEKAXNCT-LPHOPBHVSA-N 2 1 369.513 3.646 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436400764 944277227 /nfs/dbraw/zinc/27/72/27/944277227.db2.gz LOBSQLBUNXLIAF-AGILITTLSA-N 2 1 364.533 3.754 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436409174 944298030 /nfs/dbraw/zinc/29/80/30/944298030.db2.gz IITUMXFEYUUUQM-HXUWFJFHSA-N 2 1 372.557 3.709 20 0 FHADMP C[C@H](CCc1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942808 944299538 /nfs/dbraw/zinc/29/95/38/944299538.db2.gz GUMIQAZYGMOGRW-OFNKIYASSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@H](CCc1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425942808 944299543 /nfs/dbraw/zinc/29/95/43/944299543.db2.gz GUMIQAZYGMOGRW-OFNKIYASSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@H](CCc1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425942808 944299549 /nfs/dbraw/zinc/29/95/49/944299549.db2.gz GUMIQAZYGMOGRW-OFNKIYASSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@H](CCc1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425942808 944299553 /nfs/dbraw/zinc/29/95/53/944299553.db2.gz GUMIQAZYGMOGRW-OFNKIYASSA-N 2 1 352.522 3.577 20 0 FHADMP C[C@]1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311173266 944300647 /nfs/dbraw/zinc/30/06/47/944300647.db2.gz USMIUOQJCUPNMK-FGTMMUONSA-N 2 1 356.432 3.598 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000473754038 944362827 /nfs/dbraw/zinc/36/28/27/944362827.db2.gz ZYCSKAFEKXTOHO-OAQYLSRUSA-N 2 1 374.573 3.544 20 0 FHADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000517537079 944367153 /nfs/dbraw/zinc/36/71/53/944367153.db2.gz CXIFGZZOUDEUIX-QFIPXVFZSA-N 2 1 355.501 3.603 20 0 FHADMP Cc1nnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837583 944392186 /nfs/dbraw/zinc/39/21/86/944392186.db2.gz PQRMIIKJLQVKDT-HXUWFJFHSA-N 2 1 354.498 3.501 20 0 FHADMP Cc1nnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837583 944392193 /nfs/dbraw/zinc/39/21/93/944392193.db2.gz PQRMIIKJLQVKDT-HXUWFJFHSA-N 2 1 354.498 3.501 20 0 FHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426295318 944398206 /nfs/dbraw/zinc/39/82/06/944398206.db2.gz TYCCCISHOPWZEB-UTKZUKDTSA-N 2 1 367.537 3.671 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000426295138 944398895 /nfs/dbraw/zinc/39/88/95/944398895.db2.gz XFDMTIQQBBVYLH-LDLYASANSA-N 2 1 370.566 3.989 20 0 FHADMP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977385 944410991 /nfs/dbraw/zinc/41/09/91/944410991.db2.gz BRFNWYZXSAHZPB-SEJPIABJSA-N 2 1 370.537 3.696 20 0 FHADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000311249611 944452334 /nfs/dbraw/zinc/45/23/34/944452334.db2.gz IXCBOWCNNZVODM-WJFTUGDTSA-N 2 1 367.578 3.875 20 0 FHADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc2ccccc21 ZINC001167981682 944488801 /nfs/dbraw/zinc/48/88/01/944488801.db2.gz DYQIFIUBBXYKPH-MNRDOXJOSA-N 2 1 350.506 3.868 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)n2)cc1F ZINC000550239615 944535240 /nfs/dbraw/zinc/53/52/40/944535240.db2.gz WZFQINVKTGWFLL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)n2)cc1F ZINC000550239615 944535248 /nfs/dbraw/zinc/53/52/48/944535248.db2.gz WZFQINVKTGWFLL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)n2)cc1F ZINC000550239615 944535254 /nfs/dbraw/zinc/53/52/54/944535254.db2.gz WZFQINVKTGWFLL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000102063160 944567176 /nfs/dbraw/zinc/56/71/76/944567176.db2.gz AHUWJJWJOPHEED-UHFFFAOYSA-N 2 1 360.546 3.913 20 0 FHADMP CC(C)[NH+](C)CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000102063160 944567182 /nfs/dbraw/zinc/56/71/82/944567182.db2.gz AHUWJJWJOPHEED-UHFFFAOYSA-N 2 1 360.546 3.913 20 0 FHADMP CC(C)[NH+](C)CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000102063160 944567188 /nfs/dbraw/zinc/56/71/88/944567188.db2.gz AHUWJJWJOPHEED-UHFFFAOYSA-N 2 1 360.546 3.913 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc1 ZINC000550265830 944624174 /nfs/dbraw/zinc/62/41/74/944624174.db2.gz GZGLHJJEMCCAKL-UHFFFAOYSA-N 3 1 361.549 3.688 20 0 FHADMP CC[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649040 /nfs/dbraw/zinc/64/90/40/944649040.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649050 /nfs/dbraw/zinc/64/90/50/944649050.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649057 /nfs/dbraw/zinc/64/90/57/944649057.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CCCc1csc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426421950 944748017 /nfs/dbraw/zinc/74/80/17/944748017.db2.gz SKCSHBSMJSIMCK-IRXDYDNUSA-N 2 1 365.587 3.807 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506611496 944764141 /nfs/dbraw/zinc/76/41/41/944764141.db2.gz QRDUSAHVPDRDLQ-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506611496 944764148 /nfs/dbraw/zinc/76/41/48/944764148.db2.gz QRDUSAHVPDRDLQ-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506611496 944764157 /nfs/dbraw/zinc/76/41/57/944764157.db2.gz QRDUSAHVPDRDLQ-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506611496 944764161 /nfs/dbraw/zinc/76/41/61/944764161.db2.gz QRDUSAHVPDRDLQ-BHIFYINESA-N 2 1 374.569 3.630 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000438560687 944769854 /nfs/dbraw/zinc/76/98/54/944769854.db2.gz HJHKHARPUBNFMU-YLJYHZDGSA-N 2 1 357.542 3.639 20 0 FHADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000366697957 944793101 /nfs/dbraw/zinc/79/31/01/944793101.db2.gz RCLJMJNHXXIQIO-ZAAXVRCTSA-N 2 1 373.566 3.984 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438568388 944803246 /nfs/dbraw/zinc/80/32/46/944803246.db2.gz JFYRTSFEQJIXQE-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438571083 944807248 /nfs/dbraw/zinc/80/72/48/944807248.db2.gz UEQSHVHDPQCLOU-QFIPXVFZSA-N 2 1 369.553 3.696 20 0 FHADMP Cc1noc2ncc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324993 944894277 /nfs/dbraw/zinc/89/42/77/944894277.db2.gz LIVSKLUQVJSRTQ-DNVCBOLYSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324993 944894286 /nfs/dbraw/zinc/89/42/86/944894286.db2.gz LIVSKLUQVJSRTQ-DNVCBOLYSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324993 944894296 /nfs/dbraw/zinc/89/42/96/944894296.db2.gz LIVSKLUQVJSRTQ-DNVCBOLYSA-N 2 1 350.466 3.674 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc12 ZINC000894324993 944894305 /nfs/dbraw/zinc/89/43/05/944894305.db2.gz LIVSKLUQVJSRTQ-DNVCBOLYSA-N 2 1 350.466 3.674 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000518028634 944948185 /nfs/dbraw/zinc/94/81/85/944948185.db2.gz RDIJENOBLAMLMW-KCZVDYSFSA-N 2 1 371.569 3.525 20 0 FHADMP CC[C@](C)(O)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000439769704 944973454 /nfs/dbraw/zinc/97/34/54/944973454.db2.gz OYESNWHONJYNLN-QFIPXVFZSA-N 2 1 364.493 3.739 20 0 FHADMP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000414947278 944990881 /nfs/dbraw/zinc/99/08/81/944990881.db2.gz VZRONNGREXCEKR-UHFFFAOYSA-N 2 1 370.493 3.515 20 0 FHADMP CC(C)Sc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516625045 945059798 /nfs/dbraw/zinc/05/97/98/945059798.db2.gz QWUXONBXFNACPE-UHFFFAOYSA-N 2 1 370.522 3.586 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440280471 945373567 /nfs/dbraw/zinc/37/35/67/945373567.db2.gz IQRRJAKXKJZCHV-KAGYGMCKSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280471 945373578 /nfs/dbraw/zinc/37/35/78/945373578.db2.gz IQRRJAKXKJZCHV-KAGYGMCKSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280471 945373590 /nfs/dbraw/zinc/37/35/90/945373590.db2.gz IQRRJAKXKJZCHV-KAGYGMCKSA-N 2 1 369.553 3.563 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280975166 945484996 /nfs/dbraw/zinc/48/49/96/945484996.db2.gz VSOGLVGYMXMPMJ-PKTZIBPZSA-N 2 1 365.521 3.669 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415052072 945503909 /nfs/dbraw/zinc/50/39/09/945503909.db2.gz HCUHESTZDTVZPN-VGOFRKELSA-N 2 1 354.494 3.691 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@H](c2ccccc2)C1 ZINC000415044665 945512274 /nfs/dbraw/zinc/51/22/74/945512274.db2.gz AVDNGDJVAABZFA-UZEBWTFNSA-N 2 1 355.570 3.765 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112261 945529101 /nfs/dbraw/zinc/52/91/01/945529101.db2.gz CLAQYHTUKZTUGP-KSFYIVLOSA-N 2 1 369.484 3.682 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112261 945529109 /nfs/dbraw/zinc/52/91/09/945529109.db2.gz CLAQYHTUKZTUGP-KSFYIVLOSA-N 2 1 369.484 3.682 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856330 945537639 /nfs/dbraw/zinc/53/76/39/945537639.db2.gz IUGFNNSRXOHESA-UHFFFAOYSA-N 2 1 351.498 3.803 20 0 FHADMP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968188 945592900 /nfs/dbraw/zinc/59/29/00/945592900.db2.gz NTYZLOLBNHFVBX-AYHJJNSGSA-N 2 1 365.562 3.675 20 0 FHADMP C[N@H+](CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 ZINC000324351298 945714006 /nfs/dbraw/zinc/71/40/06/945714006.db2.gz FQNBFYLYRPOARD-UHFFFAOYSA-N 2 1 352.906 3.855 20 0 FHADMP C[N@@H+](CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 ZINC000324351298 945714017 /nfs/dbraw/zinc/71/40/17/945714017.db2.gz FQNBFYLYRPOARD-UHFFFAOYSA-N 2 1 352.906 3.855 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651758954 945850753 /nfs/dbraw/zinc/85/07/53/945850753.db2.gz VGYHAMKCCZLTBN-PKOBYXMFSA-N 2 1 374.887 3.823 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@@H]1c1cccs1 ZINC000440821521 945923610 /nfs/dbraw/zinc/92/36/10/945923610.db2.gz NMOYBEJSVQCGNJ-XHDPSFHLSA-N 2 1 358.433 3.663 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@@H]1c1cccs1 ZINC000440821521 945923624 /nfs/dbraw/zinc/92/36/24/945923624.db2.gz NMOYBEJSVQCGNJ-XHDPSFHLSA-N 2 1 358.433 3.663 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150754881 945979569 /nfs/dbraw/zinc/97/95/69/945979569.db2.gz PITRDNFZNJBLEH-FQEVSTJZSA-N 2 1 363.505 3.857 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150754881 945979573 /nfs/dbraw/zinc/97/95/73/945979573.db2.gz PITRDNFZNJBLEH-FQEVSTJZSA-N 2 1 363.505 3.857 20 0 FHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000522860639 946009397 /nfs/dbraw/zinc/00/93/97/946009397.db2.gz JAKXTSIMXAIHSO-JOCHJYFZSA-N 2 1 371.569 3.942 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000522860639 946009413 /nfs/dbraw/zinc/00/94/13/946009413.db2.gz JAKXTSIMXAIHSO-JOCHJYFZSA-N 2 1 371.569 3.942 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000522860639 946009422 /nfs/dbraw/zinc/00/94/22/946009422.db2.gz JAKXTSIMXAIHSO-JOCHJYFZSA-N 2 1 371.569 3.942 20 0 FHADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000444173262 946020747 /nfs/dbraw/zinc/02/07/47/946020747.db2.gz UFIALAXIZXAHOS-LJQANCHMSA-N 2 1 353.510 3.975 20 0 FHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)CC[C@H]1CCCC[N@@H+]1C ZINC000444173262 946020754 /nfs/dbraw/zinc/02/07/54/946020754.db2.gz UFIALAXIZXAHOS-LJQANCHMSA-N 2 1 353.510 3.975 20 0 FHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)CC[C@H]1CCCC[N@H+]1C ZINC000444173262 946020759 /nfs/dbraw/zinc/02/07/59/946020759.db2.gz UFIALAXIZXAHOS-LJQANCHMSA-N 2 1 353.510 3.975 20 0 FHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891769 946065028 /nfs/dbraw/zinc/06/50/28/946065028.db2.gz HWLOVPKQKVEFIS-XQBPLPMBSA-N 2 1 371.569 3.655 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891769 946065041 /nfs/dbraw/zinc/06/50/41/946065041.db2.gz HWLOVPKQKVEFIS-XQBPLPMBSA-N 2 1 371.569 3.655 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891769 946065053 /nfs/dbraw/zinc/06/50/53/946065053.db2.gz HWLOVPKQKVEFIS-XQBPLPMBSA-N 2 1 371.569 3.655 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000520044448 946070240 /nfs/dbraw/zinc/07/02/40/946070240.db2.gz SABPQMBMRHOASS-NLWGTHIKSA-N 2 1 351.579 3.514 20 0 FHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000522893918 946074541 /nfs/dbraw/zinc/07/45/41/946074541.db2.gz ICTYQVALXZJIPS-WIYYLYMNSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000522893918 946074555 /nfs/dbraw/zinc/07/45/55/946074555.db2.gz ICTYQVALXZJIPS-WIYYLYMNSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000522893918 946074569 /nfs/dbraw/zinc/07/45/69/946074569.db2.gz ICTYQVALXZJIPS-WIYYLYMNSA-N 2 1 357.542 3.552 20 0 FHADMP CCc1c(C)[nH+]c2ccccc2c1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000302038214 946090210 /nfs/dbraw/zinc/09/02/10/946090210.db2.gz MSTLSRMPMJTOQK-LJQANCHMSA-N 2 1 366.553 3.712 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000651884597 946150154 /nfs/dbraw/zinc/15/01/54/946150154.db2.gz LWFFRHNNBRVDAS-ZFJSRUIDSA-N 2 1 364.533 3.506 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000651884597 946150162 /nfs/dbraw/zinc/15/01/62/946150162.db2.gz LWFFRHNNBRVDAS-ZFJSRUIDSA-N 2 1 364.533 3.506 20 0 FHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105370 946203804 /nfs/dbraw/zinc/20/38/04/946203804.db2.gz QWACQLUYMCQFBG-XHSDSOJGSA-N 2 1 354.441 3.649 20 0 FHADMP Clc1ccc2c(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c[nH]c2c1 ZINC000655704242 946221215 /nfs/dbraw/zinc/22/12/15/946221215.db2.gz UTVZKUWEDFRIKL-SFHVURJKSA-N 2 1 361.917 3.597 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000103187440 946232112 /nfs/dbraw/zinc/23/21/12/946232112.db2.gz DLBREGYRXQWXPF-NRFANRHFSA-N 2 1 351.494 3.914 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000103187440 946232121 /nfs/dbraw/zinc/23/21/21/946232121.db2.gz DLBREGYRXQWXPF-NRFANRHFSA-N 2 1 351.494 3.914 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1cccc2ccccc21 ZINC000441200121 946301272 /nfs/dbraw/zinc/30/12/72/946301272.db2.gz OCADWBLYQNQVTK-AKIFATBCSA-N 2 1 352.522 3.956 20 0 FHADMP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000520258789 946311867 /nfs/dbraw/zinc/31/18/67/946311867.db2.gz FNXBLECERJMJGV-UHFFFAOYSA-N 2 1 357.929 3.686 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252915 946347543 /nfs/dbraw/zinc/34/75/43/946347543.db2.gz KHVKOWIGHKQKFS-HJNYFJLDSA-N 2 1 374.569 3.937 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252911 946347952 /nfs/dbraw/zinc/34/79/52/946347952.db2.gz KHVKOWIGHKQKFS-FCEUIQTBSA-N 2 1 374.569 3.937 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150296 946383821 /nfs/dbraw/zinc/38/38/21/946383821.db2.gz RLVXAVCMUOIYMH-JOCHJYFZSA-N 2 1 358.574 3.566 20 0 FHADMP CSc1cc(Br)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262079542 946437253 /nfs/dbraw/zinc/43/72/53/946437253.db2.gz SWFVLKMNIMCYFP-UHFFFAOYSA-N 2 1 355.345 3.747 20 0 FHADMP CC[N@H+](Cc1ncc(Cl)s1)CC1CCN(c2ccccn2)CC1 ZINC000473133830 946437154 /nfs/dbraw/zinc/43/71/54/946437154.db2.gz UKMGFLCIPDCYQM-UHFFFAOYSA-N 2 1 350.919 3.930 20 0 FHADMP CCN(Cc1ncc(Cl)s1)CC1CCN(c2ccccn2)CC1 ZINC000473133830 946437162 /nfs/dbraw/zinc/43/71/62/946437162.db2.gz UKMGFLCIPDCYQM-UHFFFAOYSA-N 2 1 350.919 3.930 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475497125 946437959 /nfs/dbraw/zinc/43/79/59/946437959.db2.gz IRRUTZCMHMFRMM-JBYIUTFZSA-N 2 1 369.553 3.550 20 0 FHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000475130575 946439871 /nfs/dbraw/zinc/43/98/71/946439871.db2.gz WFIMPMSGRQEWSL-UHFFFAOYSA-N 2 1 350.890 3.562 20 0 FHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000475130575 946439879 /nfs/dbraw/zinc/43/98/79/946439879.db2.gz WFIMPMSGRQEWSL-UHFFFAOYSA-N 2 1 350.890 3.562 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475514996 946552666 /nfs/dbraw/zinc/55/26/66/946552666.db2.gz WWLQRHJVZGEUMU-KGVIQGDOSA-N 2 1 369.553 3.550 20 0 FHADMP c1csc(-c2noc(CCC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000441407334 946561170 /nfs/dbraw/zinc/56/11/70/946561170.db2.gz ZZVWUENYJAOFDH-DOTOQJQBSA-N 2 1 372.538 3.679 20 0 FHADMP c1csc(-c2noc(CCC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000441407334 946561179 /nfs/dbraw/zinc/56/11/79/946561179.db2.gz ZZVWUENYJAOFDH-DOTOQJQBSA-N 2 1 372.538 3.679 20 0 FHADMP c1csc(-c2noc(CCC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000441407334 946561188 /nfs/dbraw/zinc/56/11/88/946561188.db2.gz ZZVWUENYJAOFDH-DOTOQJQBSA-N 2 1 372.538 3.679 20 0 FHADMP c1csc(-c2noc(CCC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000441407334 946561197 /nfs/dbraw/zinc/56/11/97/946561197.db2.gz ZZVWUENYJAOFDH-DOTOQJQBSA-N 2 1 372.538 3.679 20 0 FHADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410301 946564032 /nfs/dbraw/zinc/56/40/32/946564032.db2.gz LBGFVPSCOQJEAM-PGRDOPGGSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441410301 946564037 /nfs/dbraw/zinc/56/40/37/946564037.db2.gz LBGFVPSCOQJEAM-PGRDOPGGSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441410301 946564042 /nfs/dbraw/zinc/56/40/42/946564042.db2.gz LBGFVPSCOQJEAM-PGRDOPGGSA-N 2 1 358.526 3.803 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058814 946629673 /nfs/dbraw/zinc/62/96/73/946629673.db2.gz CNTSRWUPKWDPAF-JERCCFLKSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058814 946629678 /nfs/dbraw/zinc/62/96/78/946629678.db2.gz CNTSRWUPKWDPAF-JERCCFLKSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058814 946629686 /nfs/dbraw/zinc/62/96/86/946629686.db2.gz CNTSRWUPKWDPAF-JERCCFLKSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168058814 946629689 /nfs/dbraw/zinc/62/96/89/946629689.db2.gz CNTSRWUPKWDPAF-JERCCFLKSA-N 2 1 370.537 3.702 20 0 FHADMP CCn1nc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)c2ccccc21 ZINC000473145663 946651351 /nfs/dbraw/zinc/65/13/51/946651351.db2.gz QUOGVSXMIYOTKG-UHFFFAOYSA-N 2 1 372.557 3.627 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000123292377 946763119 /nfs/dbraw/zinc/76/31/19/946763119.db2.gz MFDNENZEZPQKEK-FQEVSTJZSA-N 2 1 355.457 3.538 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000123292377 946763125 /nfs/dbraw/zinc/76/31/25/946763125.db2.gz MFDNENZEZPQKEK-FQEVSTJZSA-N 2 1 355.457 3.538 20 0 FHADMP C[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000661855034 946771422 /nfs/dbraw/zinc/77/14/22/946771422.db2.gz RIMWVXAOULLRIG-ZRNYENFQSA-N 2 1 360.542 3.685 20 0 FHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475279020 946800901 /nfs/dbraw/zinc/80/09/01/946800901.db2.gz IXKMPZFKPRCEQF-FQEVSTJZSA-N 2 1 354.542 3.867 20 0 FHADMP COc1cc2c(c(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000475282271 946818661 /nfs/dbraw/zinc/81/86/61/946818661.db2.gz FQKXVJNFDPQVSV-PKOBYXMFSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000475282271 946818665 /nfs/dbraw/zinc/81/86/65/946818665.db2.gz FQKXVJNFDPQVSV-PKOBYXMFSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000475282271 946818671 /nfs/dbraw/zinc/81/86/71/946818671.db2.gz FQKXVJNFDPQVSV-PKOBYXMFSA-N 2 1 366.505 3.630 20 0 FHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(Cl)nc1 ZINC000179103258 946822381 /nfs/dbraw/zinc/82/23/81/946822381.db2.gz GIXFABHDWOUIOF-YLJYHZDGSA-N 2 1 372.944 3.764 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475286905 946825379 /nfs/dbraw/zinc/82/53/79/946825379.db2.gz SJCRNEPYPZVKLM-SFHVURJKSA-N 2 1 364.518 3.817 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475286905 946825391 /nfs/dbraw/zinc/82/53/91/946825391.db2.gz SJCRNEPYPZVKLM-SFHVURJKSA-N 2 1 364.518 3.817 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000475291516 946830855 /nfs/dbraw/zinc/83/08/55/946830855.db2.gz PJIUPMGQCFRRJM-KRWDZBQOSA-N 2 1 352.507 3.750 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000164586585 946859441 /nfs/dbraw/zinc/85/94/41/946859441.db2.gz ICZAUZDVWWZCAM-UHFFFAOYSA-N 2 1 374.916 3.520 20 0 FHADMP C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)cc(F)c1F)CC[NH2+]CC2 ZINC000652341657 946860634 /nfs/dbraw/zinc/86/06/34/946860634.db2.gz BXQLOOBSQJGQEC-NSHDSACASA-N 2 1 359.258 3.691 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)cc(F)c1F)CC[NH2+]CC2 ZINC000652341657 946860645 /nfs/dbraw/zinc/86/06/45/946860645.db2.gz BXQLOOBSQJGQEC-NSHDSACASA-N 2 1 359.258 3.691 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCSc3ccc(Cl)cc3)C2)C1 ZINC000652345558 946872367 /nfs/dbraw/zinc/87/23/67/946872367.db2.gz FJAXOLHUVPIPIJ-KYJSFNMBSA-N 2 1 354.947 3.650 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349018 946888281 /nfs/dbraw/zinc/88/82/81/946888281.db2.gz ZBEYQMFRYMOGQG-KNKQGSTJSA-N 2 1 367.493 3.592 20 0 FHADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348336 946891679 /nfs/dbraw/zinc/89/16/79/946891679.db2.gz AKINCVYAMWZISW-RCZSKKKRSA-N 2 1 374.569 3.971 20 0 FHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348393 946892862 /nfs/dbraw/zinc/89/28/62/946892862.db2.gz BVINLWAXGZSNSM-SIUPPRGNSA-N 2 1 367.331 3.728 20 0 FHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182270723 946894222 /nfs/dbraw/zinc/89/42/22/946894222.db2.gz WUDJJKGJOSRKLO-GCJKJVERSA-N 2 1 368.521 3.891 20 0 FHADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976242 946909088 /nfs/dbraw/zinc/90/90/88/946909088.db2.gz LYTBHLWLANSRLV-KSZLIROESA-N 2 1 354.498 3.818 20 0 FHADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475341493 946911253 /nfs/dbraw/zinc/91/12/53/946911253.db2.gz CGIQVWFIGCHSPL-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475341493 946911254 /nfs/dbraw/zinc/91/12/54/946911254.db2.gz CGIQVWFIGCHSPL-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475341493 946911259 /nfs/dbraw/zinc/91/12/59/946911259.db2.gz CGIQVWFIGCHSPL-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475341493 946911264 /nfs/dbraw/zinc/91/12/64/946911264.db2.gz CGIQVWFIGCHSPL-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000164620669 946918724 /nfs/dbraw/zinc/91/87/24/946918724.db2.gz BRRFMUMUUWZUTG-KRWDZBQOSA-N 2 1 367.497 3.635 20 0 FHADMP O=C(c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000647978152 946933904 /nfs/dbraw/zinc/93/39/04/946933904.db2.gz NISWUIBFNRFNAK-FCHUYYIVSA-N 2 1 369.553 3.524 20 0 FHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)s1 ZINC000511910812 946945965 /nfs/dbraw/zinc/94/59/65/946945965.db2.gz XOEBULHYZSZVAV-UHFFFAOYSA-N 2 1 353.894 3.819 20 0 FHADMP C[C@@H]1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062626 946975094 /nfs/dbraw/zinc/97/50/94/946975094.db2.gz KRCSZLOGMONKNP-WOJBJXKFSA-N 3 1 355.570 3.846 20 0 FHADMP C[C@@H]1CC([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)N1Cc1ccccc1 ZINC001168062626 946975096 /nfs/dbraw/zinc/97/50/96/946975096.db2.gz KRCSZLOGMONKNP-WOJBJXKFSA-N 2 1 355.570 3.846 20 0 FHADMP C[C@@H]1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)N1Cc1ccccc1 ZINC001168062626 946975105 /nfs/dbraw/zinc/97/51/05/946975105.db2.gz KRCSZLOGMONKNP-WOJBJXKFSA-N 2 1 355.570 3.846 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000164681794 946995928 /nfs/dbraw/zinc/99/59/28/946995928.db2.gz GZAFRJGKPSGXKW-QGZVFWFLSA-N 2 1 367.497 3.576 20 0 FHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168063833 947036587 /nfs/dbraw/zinc/03/65/87/947036587.db2.gz NNUWMWFMYULJDB-QWFCFKBJSA-N 2 1 358.526 3.703 20 0 FHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCCn1cc[nH+]c1C)CCC2 ZINC000192898215 947065829 /nfs/dbraw/zinc/06/58/29/947065829.db2.gz VHMFYZHRMVLMQC-MRXNPFEDSA-N 2 1 359.470 3.717 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644515 947065999 /nfs/dbraw/zinc/06/59/99/947065999.db2.gz FIHFZLHNNNBLDE-YADHBBJMSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644515 947066021 /nfs/dbraw/zinc/06/60/21/947066021.db2.gz FIHFZLHNNNBLDE-YADHBBJMSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644515 947066035 /nfs/dbraw/zinc/06/60/35/947066035.db2.gz FIHFZLHNNNBLDE-YADHBBJMSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000444644515 947066012 /nfs/dbraw/zinc/06/60/12/947066012.db2.gz FIHFZLHNNNBLDE-YADHBBJMSA-N 2 1 358.526 3.518 20 0 FHADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441430853 947091335 /nfs/dbraw/zinc/09/13/35/947091335.db2.gz ASJJHSAQVLDTIC-INIZCTEOSA-N 2 1 356.432 3.892 20 0 FHADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441430853 947091343 /nfs/dbraw/zinc/09/13/43/947091343.db2.gz ASJJHSAQVLDTIC-INIZCTEOSA-N 2 1 356.432 3.892 20 0 FHADMP C[NH+](C)C1(CNc2cc[nH+]c3cc(Br)ccc23)CCOCC1 ZINC000301322822 947284489 /nfs/dbraw/zinc/28/44/89/947284489.db2.gz UUIPXBYYTJTJAG-UHFFFAOYSA-N 2 1 364.287 3.520 20 0 FHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000248519138 947293041 /nfs/dbraw/zinc/29/30/41/947293041.db2.gz QITITJXGYQPUJJ-ZIAGYGMSSA-N 2 1 355.320 3.926 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523611963 947419849 /nfs/dbraw/zinc/41/98/49/947419849.db2.gz KRNGDMZQPOCKPA-JOCHJYFZSA-N 2 1 369.553 3.553 20 0 FHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000475624104 947610657 /nfs/dbraw/zinc/61/06/57/947610657.db2.gz YRGKIENUHRPUTR-UHFFFAOYSA-N 2 1 368.868 3.614 20 0 FHADMP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189123002 947616065 /nfs/dbraw/zinc/61/60/65/947616065.db2.gz MGQFNYIQQMMYQE-UHFFFAOYSA-N 2 1 364.839 3.949 20 0 FHADMP COc1cccc2c(N3CCC(OCC[NH+]4CCCC4)CC3)cc(C)[nH+]c12 ZINC000128132369 947650548 /nfs/dbraw/zinc/65/05/48/947650548.db2.gz GFBCFZVROVJILK-UHFFFAOYSA-N 2 1 369.509 3.633 20 0 FHADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251644 947674439 /nfs/dbraw/zinc/67/44/39/947674439.db2.gz HBEKNYPFGFYTSC-SUMWQHHRSA-N 2 1 354.416 3.752 20 0 FHADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662256643 947675599 /nfs/dbraw/zinc/67/55/99/947675599.db2.gz MOKORSSJZSTFFN-LJQANCHMSA-N 2 1 352.453 3.566 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286947 947710186 /nfs/dbraw/zinc/71/01/86/947710186.db2.gz URDNNWXVNCLWDK-LESCRADOSA-N 2 1 354.947 3.650 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292945 947714689 /nfs/dbraw/zinc/71/46/89/947714689.db2.gz CJLUKHIISUMSDF-DZGCQCFKSA-N 2 1 367.896 3.518 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292945 947714696 /nfs/dbraw/zinc/71/46/96/947714696.db2.gz CJLUKHIISUMSDF-DZGCQCFKSA-N 2 1 367.896 3.518 20 0 FHADMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1Cl ZINC000662293619 947716254 /nfs/dbraw/zinc/71/62/54/947716254.db2.gz GQWFONAEMAGOCY-CQSZACIVSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1Cl ZINC000662293619 947716258 /nfs/dbraw/zinc/71/62/58/947716258.db2.gz GQWFONAEMAGOCY-CQSZACIVSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000662294792 947718321 /nfs/dbraw/zinc/71/83/21/947718321.db2.gz NJRYJMDHJNACCM-CQSZACIVSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000662294792 947718333 /nfs/dbraw/zinc/71/83/33/947718333.db2.gz NJRYJMDHJNACCM-CQSZACIVSA-N 2 1 370.324 3.644 20 0 FHADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295758 947722292 /nfs/dbraw/zinc/72/22/92/947722292.db2.gz SQHVAUCVSFNTFZ-GOSISDBHSA-N 2 1 357.542 3.634 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295798 947722971 /nfs/dbraw/zinc/72/29/71/947722971.db2.gz UMPUJROHPVGDMA-UYAOXDASSA-N 2 1 357.542 3.650 20 0 FHADMP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324339 947751148 /nfs/dbraw/zinc/75/11/48/947751148.db2.gz VLTGHVDQDDGPCR-CRAIPNDOSA-N 2 1 358.448 3.852 20 0 FHADMP Cc1cc(C)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327171 947752373 /nfs/dbraw/zinc/75/23/73/947752373.db2.gz DYKPFBKOTISVNG-UHFFFAOYSA-N 2 1 352.526 3.873 20 0 FHADMP Fc1cc(F)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327817 947758593 /nfs/dbraw/zinc/75/85/93/947758593.db2.gz VXTQAPGYIWRYID-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Cc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(C)s1 ZINC000662327356 947759781 /nfs/dbraw/zinc/75/97/81/947759781.db2.gz OHPDRBVHKWXJGL-UHFFFAOYSA-N 2 1 358.555 3.935 20 0 FHADMP Fc1cccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1Br ZINC000663344099 947806984 /nfs/dbraw/zinc/80/69/84/947806984.db2.gz OCNNEDAYAPAOFU-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344748 947810955 /nfs/dbraw/zinc/81/09/55/947810955.db2.gz WHMQEENHLGEALX-GOSISDBHSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344748 947810965 /nfs/dbraw/zinc/81/09/65/947810965.db2.gz WHMQEENHLGEALX-GOSISDBHSA-N 2 1 356.489 3.531 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663346658 947814361 /nfs/dbraw/zinc/81/43/61/947814361.db2.gz BZUONAWIXAKJHN-FQEVSTJZSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346658 947814369 /nfs/dbraw/zinc/81/43/69/947814369.db2.gz BZUONAWIXAKJHN-FQEVSTJZSA-N 2 1 365.521 3.872 20 0 FHADMP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345279 947814642 /nfs/dbraw/zinc/81/46/42/947814642.db2.gz HVKAUAQJSDDXLX-INIZCTEOSA-N 2 1 358.917 3.942 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345396 947818326 /nfs/dbraw/zinc/81/83/26/947818326.db2.gz JWVIIVJCXXQQMO-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345396 947818334 /nfs/dbraw/zinc/81/83/34/947818334.db2.gz JWVIIVJCXXQQMO-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000663361030 947849236 /nfs/dbraw/zinc/84/92/36/947849236.db2.gz VIODTUFKRBLUBR-SFHVURJKSA-N 2 1 371.550 3.603 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000663361030 947849245 /nfs/dbraw/zinc/84/92/45/947849245.db2.gz VIODTUFKRBLUBR-SFHVURJKSA-N 2 1 371.550 3.603 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467955 948060786 /nfs/dbraw/zinc/06/07/86/948060786.db2.gz IYGDNDIRDAHZJI-WBVHZDCISA-N 2 1 355.526 3.689 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469280 948061993 /nfs/dbraw/zinc/06/19/93/948061993.db2.gz PMCAOHIRVSFWFP-NVXWUHKLSA-N 2 1 363.933 3.769 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471773 948068325 /nfs/dbraw/zinc/06/83/25/948068325.db2.gz XXZJKDNCHZKKAI-DOTOQJQBSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471773 948068335 /nfs/dbraw/zinc/06/83/35/948068335.db2.gz XXZJKDNCHZKKAI-DOTOQJQBSA-N 2 1 373.932 3.693 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000663471773 948068347 /nfs/dbraw/zinc/06/83/47/948068347.db2.gz XXZJKDNCHZKKAI-DOTOQJQBSA-N 2 1 373.932 3.693 20 0 FHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166217060 948094313 /nfs/dbraw/zinc/09/43/13/948094313.db2.gz NUGMQGIXXZSMFN-RBUKOAKNSA-N 2 1 367.493 3.989 20 0 FHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166217060 948094322 /nfs/dbraw/zinc/09/43/22/948094322.db2.gz NUGMQGIXXZSMFN-RBUKOAKNSA-N 2 1 367.493 3.989 20 0 FHADMP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167824723 948112818 /nfs/dbraw/zinc/11/28/18/948112818.db2.gz FYNACJUCYUTTLM-QZTJIDSGSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001167825127 948117674 /nfs/dbraw/zinc/11/76/74/948117674.db2.gz REEUMSFYJNSTEP-OALUTQOASA-N 3 1 363.594 3.610 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827023 948134626 /nfs/dbraw/zinc/13/46/26/948134626.db2.gz RLILMRDYTXAXTK-XLIONFOSSA-N 2 1 363.571 3.687 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827022 948134950 /nfs/dbraw/zinc/13/49/50/948134950.db2.gz RLILMRDYTXAXTK-PXNSSMCTSA-N 2 1 363.571 3.687 20 0 FHADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000643528008 948180430 /nfs/dbraw/zinc/18/04/30/948180430.db2.gz XIPXWDSVIXPTIJ-AMIZOPFISA-N 2 1 362.109 3.526 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001167833372 948221551 /nfs/dbraw/zinc/22/15/51/948221551.db2.gz AKZXWTWWXJFQTN-MRXNPFEDSA-N 2 1 352.519 3.655 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833403 948223228 /nfs/dbraw/zinc/22/32/28/948223228.db2.gz AYABVCCZXHWWGR-QZTJIDSGSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001167833782 948238379 /nfs/dbraw/zinc/23/83/79/948238379.db2.gz FDXNKPPQMWCBNO-HKUYNNGSSA-N 2 1 358.530 3.619 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001167834063 948246181 /nfs/dbraw/zinc/24/61/81/948246181.db2.gz HDTWOCAVKCGSMU-KSZLIROESA-N 2 1 355.567 3.875 20 0 FHADMP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000512044587 948289255 /nfs/dbraw/zinc/28/92/55/948289255.db2.gz GOXOXSCHTADNPB-RBUKOAKNSA-N 2 1 359.539 3.993 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001167836762 948307601 /nfs/dbraw/zinc/30/76/01/948307601.db2.gz GUVAMEDDRGKKRW-NQIIRXRSSA-N 2 1 373.585 3.839 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001167836816 948307967 /nfs/dbraw/zinc/30/79/67/948307967.db2.gz HPXTUTHVFYEXKK-SESVDKBCSA-N 2 1 359.558 3.621 20 0 FHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H](C)CCC[NH+](CC)CC ZINC001167839841 948323020 /nfs/dbraw/zinc/32/30/20/948323020.db2.gz CDLFKNCJAOBKGU-RTBURBONSA-N 2 1 358.567 3.567 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001167840408 948336193 /nfs/dbraw/zinc/33/61/93/948336193.db2.gz GGMGZINNHDLRPV-BZSNNMDCSA-N 2 1 355.567 3.732 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc12 ZINC000432406863 948349538 /nfs/dbraw/zinc/34/95/38/948349538.db2.gz JBSCLQVMRUYCME-ZWKOTPCHSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc12 ZINC000432406863 948349546 /nfs/dbraw/zinc/34/95/46/948349546.db2.gz JBSCLQVMRUYCME-ZWKOTPCHSA-N 2 1 356.510 4.000 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001167841863 948366971 /nfs/dbraw/zinc/36/69/71/948366971.db2.gz SPXAFVIJXIFTLL-PMVMPFDFSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841863 948366975 /nfs/dbraw/zinc/36/69/75/948366975.db2.gz SPXAFVIJXIFTLL-PMVMPFDFSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841863 948366980 /nfs/dbraw/zinc/36/69/80/948366980.db2.gz SPXAFVIJXIFTLL-PMVMPFDFSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841863 948366985 /nfs/dbraw/zinc/36/69/85/948366985.db2.gz SPXAFVIJXIFTLL-PMVMPFDFSA-N 2 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001167841863 948366988 /nfs/dbraw/zinc/36/69/88/948366988.db2.gz SPXAFVIJXIFTLL-PMVMPFDFSA-N 2 1 357.586 3.951 20 0 FHADMP C[C@H]1C[N@@H+](CCCN[C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422266 948383942 /nfs/dbraw/zinc/38/39/42/948383942.db2.gz DDNOELNRJKVQSH-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422266 948383957 /nfs/dbraw/zinc/38/39/57/948383957.db2.gz DDNOELNRJKVQSH-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422266 948383964 /nfs/dbraw/zinc/38/39/64/948383964.db2.gz DDNOELNRJKVQSH-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432451425 948458098 /nfs/dbraw/zinc/45/80/98/948458098.db2.gz ZWDSMIPYEDOHMC-QFBILLFUSA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432451425 948458100 /nfs/dbraw/zinc/45/81/00/948458100.db2.gz ZWDSMIPYEDOHMC-QFBILLFUSA-N 2 1 366.933 3.953 20 0 FHADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000520655023 948508213 /nfs/dbraw/zinc/50/82/13/948508213.db2.gz YNJCUNIYXBPCQI-RBUKOAKNSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799090 948599643 /nfs/dbraw/zinc/59/96/43/948599643.db2.gz XBBGTGDQBCZTLS-XLIONFOSSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799090 948599648 /nfs/dbraw/zinc/59/96/48/948599648.db2.gz XBBGTGDQBCZTLS-XLIONFOSSA-N 2 1 358.505 3.750 20 0 FHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000645424875 948630554 /nfs/dbraw/zinc/63/05/54/948630554.db2.gz RDRKLHRLSZTDNH-AVRDEDQJSA-N 2 1 370.493 3.508 20 0 FHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000645424875 948630556 /nfs/dbraw/zinc/63/05/56/948630556.db2.gz RDRKLHRLSZTDNH-AVRDEDQJSA-N 2 1 370.493 3.508 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000512180346 948697127 /nfs/dbraw/zinc/69/71/27/948697127.db2.gz NYECOMKTVMTBAK-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000512180346 948697132 /nfs/dbraw/zinc/69/71/32/948697132.db2.gz NYECOMKTVMTBAK-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000536475554 948708395 /nfs/dbraw/zinc/70/83/95/948708395.db2.gz IPDGIYYCNMPXIY-UHFFFAOYSA-N 2 1 351.498 3.825 20 0 FHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000536475554 948708400 /nfs/dbraw/zinc/70/84/00/948708400.db2.gz IPDGIYYCNMPXIY-UHFFFAOYSA-N 2 1 351.498 3.825 20 0 FHADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000221923432 567989815 /nfs/dbraw/zinc/98/98/15/567989815.db2.gz MDYQNDWSQRSRBQ-MRXNPFEDSA-N 2 1 355.320 3.983 20 0 FHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000221923432 567989816 /nfs/dbraw/zinc/98/98/16/567989816.db2.gz MDYQNDWSQRSRBQ-MRXNPFEDSA-N 2 1 355.320 3.983 20 0 FHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000221923432 567989817 /nfs/dbraw/zinc/98/98/17/567989817.db2.gz MDYQNDWSQRSRBQ-MRXNPFEDSA-N 2 1 355.320 3.983 20 0 FHADMP [NH3+][C@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccccc1 ZINC000563094360 568141235 /nfs/dbraw/zinc/14/12/35/568141235.db2.gz HKWAYFQJEFYMIO-QGZVFWFLSA-N 2 1 358.511 3.548 20 0 FHADMP COc1cccc(CN(C)CC(C)C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000603823721 568150337 /nfs/dbraw/zinc/15/03/37/568150337.db2.gz RCSUATUSIYXWFV-UHFFFAOYSA-N 2 1 356.510 3.904 20 0 FHADMP COc1cccc(C[NH+](C)CC(C)C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000603823721 568150341 /nfs/dbraw/zinc/15/03/41/568150341.db2.gz RCSUATUSIYXWFV-UHFFFAOYSA-N 2 1 356.510 3.904 20 0 FHADMP COc1cccc(C[NH+](C)CC(C)C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000603823721 568150343 /nfs/dbraw/zinc/15/03/43/568150343.db2.gz RCSUATUSIYXWFV-UHFFFAOYSA-N 2 1 356.510 3.904 20 0 FHADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000311887056 568178001 /nfs/dbraw/zinc/17/80/01/568178001.db2.gz COQZWCCHRIDGDO-JOCHJYFZSA-N 2 1 351.494 3.647 20 0 FHADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000522783931 568186879 /nfs/dbraw/zinc/18/68/79/568186879.db2.gz JDBMBRPGOMNTMK-QFIPXVFZSA-N 2 1 371.569 3.901 20 0 FHADMP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604331335 568250977 /nfs/dbraw/zinc/25/09/77/568250977.db2.gz FYMZOYQVFZJKAE-FPOVZHCZSA-N 2 1 363.590 3.514 20 0 FHADMP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604331335 568250978 /nfs/dbraw/zinc/25/09/78/568250978.db2.gz FYMZOYQVFZJKAE-FPOVZHCZSA-N 2 1 363.590 3.514 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135862 568274520 /nfs/dbraw/zinc/27/45/20/568274520.db2.gz VLNCUCRQCLVIJF-DLBZAZTESA-N 2 1 357.523 3.640 20 0 FHADMP C[N@H+]1CCC[C@@H](CNCc2cn[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165435 568593725 /nfs/dbraw/zinc/59/37/25/568593725.db2.gz BNOLDFCUBNKKBS-RDJZCZTQSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165435 568593727 /nfs/dbraw/zinc/59/37/27/568593727.db2.gz BNOLDFCUBNKKBS-RDJZCZTQSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165435 568593729 /nfs/dbraw/zinc/59/37/29/568593729.db2.gz BNOLDFCUBNKKBS-RDJZCZTQSA-N 2 1 352.404 3.601 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410099 607014920 /nfs/dbraw/zinc/01/49/20/607014920.db2.gz DCVQNFFPLCRHSI-FTRWYGJKSA-N 2 1 368.529 3.560 20 0 FHADMP Cc1cc(C)[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164704329 719886597 /nfs/dbraw/zinc/88/65/97/719886597.db2.gz VIVCEWAZBXPOBV-UHFFFAOYSA-N 2 1 357.523 3.631 20 0 FHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]ccc3[nH]ccc31)C2 ZINC001164908378 721745823 /nfs/dbraw/zinc/74/58/23/721745823.db2.gz HCQRFGFOTKZWEX-UHFFFAOYSA-N 2 1 373.460 3.746 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]ccc3[nH]ccc31)C2 ZINC001164908378 721745826 /nfs/dbraw/zinc/74/58/26/721745826.db2.gz HCQRFGFOTKZWEX-UHFFFAOYSA-N 2 1 373.460 3.746 20 0 FHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]21 ZINC001165028097 721808877 /nfs/dbraw/zinc/80/88/77/721808877.db2.gz YHURDKBUEVKQJZ-SYYKKAFVSA-N 2 1 362.521 3.702 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]21 ZINC001165028097 721808878 /nfs/dbraw/zinc/80/88/78/721808878.db2.gz YHURDKBUEVKQJZ-SYYKKAFVSA-N 2 1 362.521 3.702 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000121518883 936328779 /nfs/dbraw/zinc/32/87/79/936328779.db2.gz QPKOPNQDJJTVEM-NZQKXSOJSA-N 2 1 366.549 3.838 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(F)c1 ZINC000162229984 936364909 /nfs/dbraw/zinc/36/49/09/936364909.db2.gz UQYFTRRTLYPVRK-AWEZNQCLSA-N 2 1 358.461 3.561 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965469 945063928 /nfs/dbraw/zinc/06/39/28/945063928.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 2 1 365.565 3.502 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167965469 945063938 /nfs/dbraw/zinc/06/39/38/945063938.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 2 1 365.565 3.502 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167965469 945063950 /nfs/dbraw/zinc/06/39/50/945063950.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 2 1 365.565 3.502 20 0 FHADMP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167965469 945063962 /nfs/dbraw/zinc/06/39/62/945063962.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 3 1 365.565 3.502 20 0 FHADMP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965469 945063974 /nfs/dbraw/zinc/06/39/74/945063974.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 3 1 365.565 3.502 20 0 FHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146006 927309063 /nfs/dbraw/zinc/30/90/63/927309063.db2.gz HUIAVBFKLHNRIV-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146006 927309080 /nfs/dbraw/zinc/30/90/80/927309080.db2.gz HUIAVBFKLHNRIV-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146006 927309094 /nfs/dbraw/zinc/30/90/94/927309094.db2.gz HUIAVBFKLHNRIV-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146006 927309101 /nfs/dbraw/zinc/30/91/01/927309101.db2.gz HUIAVBFKLHNRIV-JOCHJYFZSA-N 2 1 354.469 3.932 20 0 FHADMP Brc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546329 927427811 /nfs/dbraw/zinc/42/78/11/927427811.db2.gz MPPHYUUDKODSKI-XJKSGUPXSA-N 2 1 365.315 3.927 20 0 FHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208105750 927449783 /nfs/dbraw/zinc/44/97/83/927449783.db2.gz BHEZUKNLCXDJNH-NRFANRHFSA-N 2 1 365.562 3.584 20 0 FHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818115 927968513 /nfs/dbraw/zinc/96/85/13/927968513.db2.gz LUYBLBZPODQNQD-NRFANRHFSA-N 2 1 353.514 3.622 20 0 FHADMP CCN1CC[C@@H]([NH2+]CCC[NH+](CC)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000583207467 937238189 /nfs/dbraw/zinc/23/81/89/937238189.db2.gz QZXDDAMEYCQERC-IEBWSBKVSA-N 2 1 357.464 3.561 20 0 FHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)CC(C)(C)C)CC2)C1 ZINC001208665944 928377343 /nfs/dbraw/zinc/37/73/43/928377343.db2.gz SUHSFOHJZMVUOR-ROUUACIJSA-N 2 1 352.563 3.798 20 0 FHADMP C[C@@H](c1ccccc1F)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471169499 928451311 /nfs/dbraw/zinc/45/13/11/928451311.db2.gz LWVDJDYKJXNKMI-SFHVURJKSA-N 2 1 371.500 3.649 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170465 928458312 /nfs/dbraw/zinc/45/83/12/928458312.db2.gz FGJBNJGFXOAVHK-BBRMVZONSA-N 2 1 370.324 3.786 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cc(C)cc(C)c1 ZINC000579849869 928521193 /nfs/dbraw/zinc/52/11/93/928521193.db2.gz FKDLNRTUHGTXGN-UHFFFAOYSA-N 2 1 371.569 3.853 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cc(F)ccc43)CC2)oc1C ZINC000162719954 937259297 /nfs/dbraw/zinc/25/92/97/937259297.db2.gz XBBJTPVBVFNTLT-FQEVSTJZSA-N 2 1 357.473 3.920 20 0 FHADMP C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131291 928920397 /nfs/dbraw/zinc/92/03/97/928920397.db2.gz QTRBPGKSMKEAJP-SJBKTWHCSA-N 2 1 371.569 3.668 20 0 FHADMP CC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274901774 929009294 /nfs/dbraw/zinc/00/92/94/929009294.db2.gz LKALYWICMLYAOE-GCJKJVERSA-N 2 1 365.521 3.688 20 0 FHADMP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274901773 929009542 /nfs/dbraw/zinc/00/95/42/929009542.db2.gz LKALYWICMLYAOE-AVRDEDQJSA-N 2 1 365.521 3.688 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CCC(c3ccccc3)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000547740532 929169457 /nfs/dbraw/zinc/16/94/57/929169457.db2.gz CBWNALJRXIGAPB-UEGSCFCSSA-N 2 1 369.597 3.918 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180131387 929379142 /nfs/dbraw/zinc/37/91/42/929379142.db2.gz HWUCCMSUVPOKQL-UWJYYQICSA-N 2 1 358.505 3.750 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180235635 929426651 /nfs/dbraw/zinc/42/66/51/929426651.db2.gz UQBODDAPIZBTET-QFIPXVFZSA-N 2 1 352.522 3.645 20 0 FHADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180451196 929513874 /nfs/dbraw/zinc/51/38/74/929513874.db2.gz ZYSNOIIGWUABCL-JOCHJYFZSA-N 2 1 366.484 3.890 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180451196 929513880 /nfs/dbraw/zinc/51/38/80/929513880.db2.gz ZYSNOIIGWUABCL-JOCHJYFZSA-N 2 1 366.484 3.890 20 0 FHADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCc1ccc(F)cc1 ZINC000017313899 929589507 /nfs/dbraw/zinc/58/95/07/929589507.db2.gz IJIYKQYRKMTYTK-UHFFFAOYSA-N 2 1 358.457 3.597 20 0 FHADMP Cc1ccccc1[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000160363274 930225587 /nfs/dbraw/zinc/22/55/87/930225587.db2.gz BUHYMBLJAGAIFZ-HSZRJFAPSA-N 2 1 352.522 3.872 20 0 FHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099476 930247406 /nfs/dbraw/zinc/24/74/06/930247406.db2.gz IABBVWVVQHTCGL-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099476 930247415 /nfs/dbraw/zinc/24/74/15/930247415.db2.gz IABBVWVVQHTCGL-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099476 930247417 /nfs/dbraw/zinc/24/74/17/930247417.db2.gz IABBVWVVQHTCGL-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP Cc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1Br ZINC000580174870 930334298 /nfs/dbraw/zinc/33/42/98/930334298.db2.gz SGXWCCBIMHBEMZ-UHFFFAOYSA-N 2 1 364.125 3.561 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)c2ccsc2S1 ZINC000583404197 937415983 /nfs/dbraw/zinc/41/59/83/937415983.db2.gz JFFLLPQYQUIXRQ-BBRMVZONSA-N 2 1 363.552 3.799 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000125122190 930582482 /nfs/dbraw/zinc/58/24/82/930582482.db2.gz QSALJSRHKHIMNU-INIZCTEOSA-N 2 1 351.485 3.531 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126648116 937427838 /nfs/dbraw/zinc/42/78/38/937427838.db2.gz WZYWZVGBSKLXOD-RBBKRZOGSA-N 2 1 363.505 3.964 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000126648116 937427841 /nfs/dbraw/zinc/42/78/41/937427841.db2.gz WZYWZVGBSKLXOD-RBBKRZOGSA-N 2 1 363.505 3.964 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cccc(C(C)C)c3)CC2)CC1 ZINC000580580077 930875405 /nfs/dbraw/zinc/87/54/05/930875405.db2.gz CJYDFMZKZCSVDW-UHFFFAOYSA-N 2 1 371.569 3.969 20 0 FHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000656261002 930917911 /nfs/dbraw/zinc/91/79/11/930917911.db2.gz BTBCDTGLPUOPGR-UHFFFAOYSA-N 2 1 357.889 3.861 20 0 FHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000656261002 930917916 /nfs/dbraw/zinc/91/79/16/930917916.db2.gz BTBCDTGLPUOPGR-UHFFFAOYSA-N 2 1 357.889 3.861 20 0 FHADMP C[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000580695726 931024045 /nfs/dbraw/zinc/02/40/45/931024045.db2.gz SVDLWQXOIDZMJT-IRXDYDNUSA-N 2 1 365.612 3.736 20 0 FHADMP CCCn1cc(C[N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000126511479 931214843 /nfs/dbraw/zinc/21/48/43/931214843.db2.gz VQRRQDKLNUYODE-UHFFFAOYSA-N 2 1 370.545 3.581 20 0 FHADMP CCCn1cc(C[N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000126511479 931214853 /nfs/dbraw/zinc/21/48/53/931214853.db2.gz VQRRQDKLNUYODE-UHFFFAOYSA-N 2 1 370.545 3.581 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993999 931235171 /nfs/dbraw/zinc/23/51/71/931235171.db2.gz MONGDEBTTKTVFE-KNQAVFIVSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000580895045 931309640 /nfs/dbraw/zinc/30/96/40/931309640.db2.gz PGDMEQATRLRSIZ-NQIIRXRSSA-N 2 1 357.542 3.580 20 0 FHADMP c1ncc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407195 931603079 /nfs/dbraw/zinc/60/30/79/931603079.db2.gz RASLDCXDNNYIKD-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407195 931603084 /nfs/dbraw/zinc/60/30/84/931603084.db2.gz RASLDCXDNNYIKD-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407195 931603089 /nfs/dbraw/zinc/60/30/89/931603089.db2.gz RASLDCXDNNYIKD-VMXMFDLUSA-N 2 1 353.535 3.528 20 0 FHADMP C[NH+](C)CCCOc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000684164087 931690822 /nfs/dbraw/zinc/69/08/22/931690822.db2.gz RUNIIQWICYRATJ-UHFFFAOYSA-N 2 1 361.530 3.610 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1F ZINC000558461308 931910132 /nfs/dbraw/zinc/91/01/32/931910132.db2.gz CSMGVXDBQKECFH-GOSISDBHSA-N 2 1 373.859 3.666 20 0 FHADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000430588802 931969284 /nfs/dbraw/zinc/96/92/84/931969284.db2.gz GASYTGFSFRYONO-OAQYLSRUSA-N 2 1 353.466 3.525 20 0 FHADMP C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163156 931973886 /nfs/dbraw/zinc/97/38/86/931973886.db2.gz YTSGAYONLOXJHK-CUWPLCDZSA-N 2 1 357.567 3.851 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000656786912 932426096 /nfs/dbraw/zinc/42/60/96/932426096.db2.gz XPWIRWZUBCZDLA-INIZCTEOSA-N 2 1 354.441 3.508 20 0 FHADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411342 932588262 /nfs/dbraw/zinc/58/82/62/932588262.db2.gz KECLYCQEFZIMSS-QAPCUYQASA-N 2 1 356.432 3.934 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083171284 932894342 /nfs/dbraw/zinc/89/43/42/932894342.db2.gz PDMWVJGSWIPMRF-UHFFFAOYSA-N 2 1 371.447 3.840 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000647200084 932998722 /nfs/dbraw/zinc/99/87/22/932998722.db2.gz HZGZBAGLRAVYDV-AZUAARDMSA-N 2 1 352.526 3.923 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000647200084 932998727 /nfs/dbraw/zinc/99/87/27/932998727.db2.gz HZGZBAGLRAVYDV-AZUAARDMSA-N 2 1 352.526 3.923 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nccs1 ZINC000090971293 933109575 /nfs/dbraw/zinc/10/95/75/933109575.db2.gz LGMJCXJOOQXFBU-MRXNPFEDSA-N 2 1 356.539 3.526 20 0 FHADMP COc1cccc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000430711496 933165923 /nfs/dbraw/zinc/16/59/23/933165923.db2.gz WYQOFQYHQIOUBM-CEXWTWQISA-N 2 1 360.542 3.968 20 0 FHADMP COc1cccc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000430711498 933165934 /nfs/dbraw/zinc/16/59/34/933165934.db2.gz WYQOFQYHQIOUBM-OTWHNJEPSA-N 2 1 360.542 3.968 20 0 FHADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000430742142 933192846 /nfs/dbraw/zinc/19/28/46/933192846.db2.gz NUXJVOQJVGJWAY-NAQMCUANSA-N 2 1 369.553 3.596 20 0 FHADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000430742140 933192909 /nfs/dbraw/zinc/19/29/09/933192909.db2.gz NUXJVOQJVGJWAY-DSBNJHONSA-N 2 1 369.553 3.596 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000510531698 933193082 /nfs/dbraw/zinc/19/30/82/933193082.db2.gz CLUKNOTUEAAINY-OAHLLOKOSA-N 2 1 355.873 3.937 20 0 FHADMP c1ccc(CSCC[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000430774692 933225975 /nfs/dbraw/zinc/22/59/75/933225975.db2.gz DNCOWLVCUQRUMX-QFIPXVFZSA-N 2 1 370.562 3.801 20 0 FHADMP c1ccc(CSCC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000430774692 933225980 /nfs/dbraw/zinc/22/59/80/933225980.db2.gz DNCOWLVCUQRUMX-QFIPXVFZSA-N 2 1 370.562 3.801 20 0 FHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000430812230 933247354 /nfs/dbraw/zinc/24/73/54/933247354.db2.gz VCFBTMRXMWLFKC-YWTNHNAXSA-N 2 1 363.571 3.545 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388766 933291945 /nfs/dbraw/zinc/29/19/45/933291945.db2.gz TUMXTJPSFCXYSV-WOJBJXKFSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548388766 933291956 /nfs/dbraw/zinc/29/19/56/933291956.db2.gz TUMXTJPSFCXYSV-WOJBJXKFSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548388766 933291963 /nfs/dbraw/zinc/29/19/63/933291963.db2.gz TUMXTJPSFCXYSV-WOJBJXKFSA-N 2 1 363.590 3.754 20 0 FHADMP C[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000430933425 933429807 /nfs/dbraw/zinc/42/98/07/933429807.db2.gz KQLAXUIHEIOOSQ-UHFFFAOYSA-N 2 1 365.930 3.807 20 0 FHADMP CCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431031800 933714909 /nfs/dbraw/zinc/71/49/09/933714909.db2.gz DFZZCRXGUAQONE-JQVVWYNYSA-N 2 1 371.569 3.696 20 0 FHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000093638566 934160399 /nfs/dbraw/zinc/16/03/99/934160399.db2.gz WICFXWMFFRFUPW-VGOFRKELSA-N 2 1 354.542 3.710 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000093638566 934160405 /nfs/dbraw/zinc/16/04/05/934160405.db2.gz WICFXWMFFRFUPW-VGOFRKELSA-N 2 1 354.542 3.710 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000093638566 934160408 /nfs/dbraw/zinc/16/04/08/934160408.db2.gz WICFXWMFFRFUPW-VGOFRKELSA-N 2 1 354.542 3.710 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000093638566 934160414 /nfs/dbraw/zinc/16/04/14/934160414.db2.gz WICFXWMFFRFUPW-VGOFRKELSA-N 2 1 354.542 3.710 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000510977439 934246407 /nfs/dbraw/zinc/24/64/07/934246407.db2.gz PTGPQLLTSDCNND-GFCCVEGCSA-N 2 1 369.250 3.537 20 0 FHADMP C[C@@H](C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000548501520 934628016 /nfs/dbraw/zinc/62/80/16/934628016.db2.gz DQDWYGFZXARRLN-QUCCMNQESA-N 2 1 357.567 3.505 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000236615055 934749113 /nfs/dbraw/zinc/74/91/13/934749113.db2.gz CWSYQTQJTPHZBJ-GOSISDBHSA-N 2 1 364.537 3.799 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000236615055 934749115 /nfs/dbraw/zinc/74/91/15/934749115.db2.gz CWSYQTQJTPHZBJ-GOSISDBHSA-N 2 1 364.537 3.799 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000181670562 934797550 /nfs/dbraw/zinc/79/75/50/934797550.db2.gz LAYOLGSQJDATEP-DWLFOUALSA-N 2 1 371.569 3.839 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000510997491 934842843 /nfs/dbraw/zinc/84/28/43/934842843.db2.gz UUTZXDANMWIKEY-INIZCTEOSA-N 2 1 357.502 3.806 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc(F)c2)c1)C1CCOCC1 ZINC000102781538 934892746 /nfs/dbraw/zinc/89/27/46/934892746.db2.gz VLLKLTQZPGABSH-UHFFFAOYSA-N 2 1 372.484 3.605 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657308342 935070954 /nfs/dbraw/zinc/07/09/54/935070954.db2.gz QRSJJRSVMWSAKY-UHFFFAOYSA-N 2 1 357.567 3.922 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657309487 935087691 /nfs/dbraw/zinc/08/76/91/935087691.db2.gz DUCWYAIWGFAUON-KRWDZBQOSA-N 2 1 353.514 3.525 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657309487 935087695 /nfs/dbraw/zinc/08/76/95/935087695.db2.gz DUCWYAIWGFAUON-KRWDZBQOSA-N 2 1 353.514 3.525 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657310832 935098715 /nfs/dbraw/zinc/09/87/15/935098715.db2.gz GNNIGOVGHTZNBV-QGZVFWFLSA-N 2 1 352.526 3.962 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657311850 935112457 /nfs/dbraw/zinc/11/24/57/935112457.db2.gz XBUQUQRFGHIBOC-ZDUSSCGKSA-N 2 1 358.299 3.585 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657312502 935130433 /nfs/dbraw/zinc/13/04/33/935130433.db2.gz KBETUFGQEYKUIS-OKILXGFUSA-N 2 1 372.326 3.831 20 0 FHADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)ccc1SC(F)F ZINC000178522675 935149682 /nfs/dbraw/zinc/14/96/82/935149682.db2.gz BXRMXQJHQFSKCB-CYBMUJFWSA-N 2 1 374.497 3.507 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824966 945081026 /nfs/dbraw/zinc/08/10/26/945081026.db2.gz ACDIUJXCTIGTPI-SBUREZEXSA-N 2 1 366.505 3.780 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000582050970 935177325 /nfs/dbraw/zinc/17/73/25/935177325.db2.gz SOCCRGYWWJMISX-APWZRJJASA-N 2 1 372.538 3.672 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000157949086 935234731 /nfs/dbraw/zinc/23/47/31/935234731.db2.gz DXRTZXGLGRWHBT-HGCBZUSOSA-N 2 1 369.553 3.921 20 0 FHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000518152295 945088049 /nfs/dbraw/zinc/08/80/49/945088049.db2.gz BZNNYBIGQQHVPP-APWZRJJASA-N 2 1 366.933 3.718 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000518152295 945088057 /nfs/dbraw/zinc/08/80/57/945088057.db2.gz BZNNYBIGQQHVPP-APWZRJJASA-N 2 1 366.933 3.718 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657346843 935302698 /nfs/dbraw/zinc/30/26/98/935302698.db2.gz JJUQZXPHVDSJFT-OAHLLOKOSA-N 2 1 354.429 3.944 20 0 FHADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582181874 935382407 /nfs/dbraw/zinc/38/24/07/935382407.db2.gz XKNXYNMYXSXJHU-ZCNNSNEGSA-N 2 1 356.510 3.505 20 0 FHADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582181874 935382414 /nfs/dbraw/zinc/38/24/14/935382414.db2.gz XKNXYNMYXSXJHU-ZCNNSNEGSA-N 2 1 356.510 3.505 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000516653566 945099884 /nfs/dbraw/zinc/09/98/84/945099884.db2.gz KEKMKVURZDKNOX-IBGZPJMESA-N 2 1 363.590 3.789 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000657397166 935549240 /nfs/dbraw/zinc/54/92/40/935549240.db2.gz RXOYEZUJNKYYIG-GFCCVEGCSA-N 2 1 363.387 3.784 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122647 945108389 /nfs/dbraw/zinc/10/83/89/945108389.db2.gz DJOAVTHMMNDZGR-XLIONFOSSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122647 945108397 /nfs/dbraw/zinc/10/83/97/945108397.db2.gz DJOAVTHMMNDZGR-XLIONFOSSA-N 2 1 369.896 3.776 20 0 FHADMP CCCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657433248 935723438 /nfs/dbraw/zinc/72/34/38/935723438.db2.gz YSLFWZBNSNLDQO-ILWGZMRPSA-N 2 1 352.526 3.683 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1)C1CC1 ZINC000511149767 935801660 /nfs/dbraw/zinc/80/16/60/935801660.db2.gz DQICNYIXNJKGCV-QFIPXVFZSA-N 2 1 365.521 3.704 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3OC)o2)CC1 ZINC000119949177 935853527 /nfs/dbraw/zinc/85/35/27/935853527.db2.gz ALVAZFVKDHVAMD-UHFFFAOYSA-N 2 1 372.513 3.689 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3OC)o2)CC1 ZINC000119949177 935853532 /nfs/dbraw/zinc/85/35/32/935853532.db2.gz ALVAZFVKDHVAMD-UHFFFAOYSA-N 2 1 372.513 3.689 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000657500467 935879625 /nfs/dbraw/zinc/87/96/25/935879625.db2.gz OLEAAUBINCOBHN-ZEYPLWLESA-N 2 1 368.521 3.535 20 0 FHADMP COCc1cccc(OCC2(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000262140236 935900241 /nfs/dbraw/zinc/90/02/41/935900241.db2.gz PNZIGHDWGHFTPZ-YOFSQIOKSA-N 2 1 358.526 3.597 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000075007975 936002946 /nfs/dbraw/zinc/00/29/46/936002946.db2.gz KAHFFZGRDRUOMD-UHFFFAOYSA-N 2 1 363.527 3.726 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000075007492 936003131 /nfs/dbraw/zinc/00/31/31/936003131.db2.gz JAXBZIVLYRABES-KRWDZBQOSA-N 2 1 372.513 3.620 20 0 FHADMP C[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594923 936075559 /nfs/dbraw/zinc/07/55/59/936075559.db2.gz FJMKGPVMBUDJMZ-IERDGZPVSA-N 2 1 358.913 3.800 20 0 FHADMP C[C@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594925 936075839 /nfs/dbraw/zinc/07/58/39/936075839.db2.gz FJMKGPVMBUDJMZ-IIBYNOLFSA-N 2 1 358.913 3.800 20 0 FHADMP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596734 936079522 /nfs/dbraw/zinc/07/95/22/936079522.db2.gz YHUFRJLLVIGJJX-HSZRJFAPSA-N 2 1 352.522 3.742 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000414961238 945147336 /nfs/dbraw/zinc/14/73/36/945147336.db2.gz YQTLAKGENJOSOU-DNVCBOLYSA-N 2 1 358.457 3.643 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000472288337 938265285 /nfs/dbraw/zinc/26/52/85/938265285.db2.gz VFWNQTMZNPKSSH-IBGZPJMESA-N 2 1 357.498 3.583 20 0 FHADMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705324 938282981 /nfs/dbraw/zinc/28/29/81/938282981.db2.gz DLZLWELYHIFQMA-NJNPRVFISA-N 2 1 354.494 3.567 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(C)c1OC(F)F ZINC000650705795 938284242 /nfs/dbraw/zinc/28/42/42/938284242.db2.gz WCUZRDUDZSJODZ-KSZLIROESA-N 2 1 368.468 3.623 20 0 FHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708775 938291422 /nfs/dbraw/zinc/29/14/22/938291422.db2.gz MDIKRDUZWPNUKB-GZBFAFLISA-N 2 1 373.360 3.537 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(F)(F)F ZINC000650708961 938291752 /nfs/dbraw/zinc/29/17/52/938291752.db2.gz WRUNFOGSDIEFOQ-XYJFISCASA-N 2 1 356.432 3.732 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000414962337 945163165 /nfs/dbraw/zinc/16/31/65/945163165.db2.gz ZPMGTTZZJFXBQS-JOYOIKCWSA-N 2 1 351.210 3.698 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000650722870 938310025 /nfs/dbraw/zinc/31/00/25/938310025.db2.gz CNQLOIYQDLFUMB-CEMLEFRQSA-N 2 1 351.494 3.609 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724140 938311218 /nfs/dbraw/zinc/31/12/18/938311218.db2.gz YQYHBMWSHHCHNZ-CEXWTWQISA-N 2 1 359.901 3.749 20 0 FHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1O ZINC000657772983 938314399 /nfs/dbraw/zinc/31/43/99/938314399.db2.gz YLXPPMWJIKYSLW-FQEVSTJZSA-N 2 1 366.505 3.793 20 0 FHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000583656224 938341363 /nfs/dbraw/zinc/34/13/63/938341363.db2.gz LZJTYYLEWDLRAE-NXIIHZOPSA-N 2 1 370.459 3.791 20 0 FHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000583656225 938341464 /nfs/dbraw/zinc/34/14/64/938341464.db2.gz LZJTYYLEWDLRAE-OUQXZNHLSA-N 2 1 370.459 3.791 20 0 FHADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657795874 938425643 /nfs/dbraw/zinc/42/56/43/938425643.db2.gz OZXYUWDWLRZBCS-FDDCHVKYSA-N 2 1 370.512 3.587 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657795880 938426054 /nfs/dbraw/zinc/42/60/54/938426054.db2.gz OZXYUWDWLRZBCS-WZONZLPQSA-N 2 1 370.512 3.587 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151165572 938438503 /nfs/dbraw/zinc/43/85/03/938438503.db2.gz ZGVCMWVWRCCQMT-GJYPPUQNSA-N 2 1 350.934 3.707 20 0 FHADMP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166533878 938439082 /nfs/dbraw/zinc/43/90/82/938439082.db2.gz WZRMELNWBRKLCM-VQTJNVASSA-N 3 1 361.961 3.768 20 0 FHADMP Cc1nc(C)c(CN2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)o1 ZINC001279639386 938464992 /nfs/dbraw/zinc/46/49/92/938464992.db2.gz YBBOAVUXMYSBHU-QGZVFWFLSA-N 2 1 359.436 3.922 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1cccc(Br)c1 ZINC000583899395 938473426 /nfs/dbraw/zinc/47/34/26/938473426.db2.gz NPJAJXBPZBYTSA-KYJSFNMBSA-N 2 1 351.332 3.969 20 0 FHADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc(Br)c1 ZINC000583899395 938473428 /nfs/dbraw/zinc/47/34/28/938473428.db2.gz NPJAJXBPZBYTSA-KYJSFNMBSA-N 2 1 351.332 3.969 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000583922390 938487692 /nfs/dbraw/zinc/48/76/92/938487692.db2.gz PAUGLSPOTUTOEA-AWDZXFJFSA-N 2 1 352.522 3.966 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000583922390 938487695 /nfs/dbraw/zinc/48/76/95/938487695.db2.gz PAUGLSPOTUTOEA-AWDZXFJFSA-N 2 1 352.522 3.966 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362792 945182544 /nfs/dbraw/zinc/18/25/44/945182544.db2.gz ROAGOFPCBUQMGC-HXUWFJFHSA-N 2 1 362.558 3.528 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362792 945182548 /nfs/dbraw/zinc/18/25/48/945182548.db2.gz ROAGOFPCBUQMGC-HXUWFJFHSA-N 2 1 362.558 3.528 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000151356033 938533396 /nfs/dbraw/zinc/53/33/96/938533396.db2.gz BEJALBAYRAIASR-QFIPXVFZSA-N 2 1 374.475 3.685 20 0 FHADMP O=C1CCCN1Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000151402130 938540430 /nfs/dbraw/zinc/54/04/30/938540430.db2.gz SMQKGTZOIFWTMN-UHFFFAOYSA-N 2 1 369.553 3.696 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000132836102 938543934 /nfs/dbraw/zinc/54/39/34/938543934.db2.gz LFRUDTRAQMMISZ-STQMWFEESA-N 2 1 373.360 3.662 20 0 FHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836877 938659884 /nfs/dbraw/zinc/65/98/84/938659884.db2.gz XATMJGQNOQGKPV-AEFFLSMTSA-N 2 1 353.501 3.635 20 0 FHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000584289836 938672346 /nfs/dbraw/zinc/67/23/46/938672346.db2.gz LUVMRGSWTAOCLH-AZUAARDMSA-N 2 1 365.521 3.691 20 0 FHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632243 938800180 /nfs/dbraw/zinc/80/01/80/938800180.db2.gz XCFFTKBGNHNEEY-MRXNPFEDSA-N 2 1 374.916 3.596 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632243 938800186 /nfs/dbraw/zinc/80/01/86/938800186.db2.gz XCFFTKBGNHNEEY-MRXNPFEDSA-N 2 1 374.916 3.596 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632243 938800188 /nfs/dbraw/zinc/80/01/88/938800188.db2.gz XCFFTKBGNHNEEY-MRXNPFEDSA-N 2 1 374.916 3.596 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000081632243 938800196 /nfs/dbraw/zinc/80/01/96/938800196.db2.gz XCFFTKBGNHNEEY-MRXNPFEDSA-N 2 1 374.916 3.596 20 0 FHADMP CC[N@@H+]1CCc2nc(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)sc2C1 ZINC000645310235 945208784 /nfs/dbraw/zinc/20/87/84/945208784.db2.gz VTDYRUNLKPFWMU-OAHLLOKOSA-N 2 1 364.559 3.538 20 0 FHADMP CC[N@H+]1CCc2nc(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)sc2C1 ZINC000645310235 945208791 /nfs/dbraw/zinc/20/87/91/945208791.db2.gz VTDYRUNLKPFWMU-OAHLLOKOSA-N 2 1 364.559 3.538 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000584426374 938860286 /nfs/dbraw/zinc/86/02/86/938860286.db2.gz NGJBTBTUPJZZMX-DNVJHFABSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000584426374 938860289 /nfs/dbraw/zinc/86/02/89/938860289.db2.gz NGJBTBTUPJZZMX-DNVJHFABSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000584426374 938860293 /nfs/dbraw/zinc/86/02/93/938860293.db2.gz NGJBTBTUPJZZMX-DNVJHFABSA-N 3 1 367.537 3.874 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091306488 938899553 /nfs/dbraw/zinc/89/95/53/938899553.db2.gz PZIBVYCOKNOIIK-SFHVURJKSA-N 2 1 356.432 3.593 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093844582 938930898 /nfs/dbraw/zinc/93/08/98/938930898.db2.gz RHZZTUOQNMVEES-LJQANCHMSA-N 2 1 367.541 3.744 20 0 FHADMP Cc1ccc(-c2cccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2)cc1 ZINC000668740211 938970972 /nfs/dbraw/zinc/97/09/72/938970972.db2.gz GTLBQJVYROPHRP-HSZRJFAPSA-N 2 1 350.506 3.693 20 0 FHADMP Cc1ccc(-c2cccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2)cc1 ZINC000668740211 938970974 /nfs/dbraw/zinc/97/09/74/938970974.db2.gz GTLBQJVYROPHRP-HSZRJFAPSA-N 2 1 350.506 3.693 20 0 FHADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442263 938986744 /nfs/dbraw/zinc/98/67/44/938986744.db2.gz NXPUTMNXXNEQQH-PZJWPPBQSA-N 2 1 360.542 3.677 20 0 FHADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442261 938986780 /nfs/dbraw/zinc/98/67/80/938986780.db2.gz NXPUTMNXXNEQQH-CTNGQTDRSA-N 2 1 360.542 3.677 20 0 FHADMP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457577 938987811 /nfs/dbraw/zinc/98/78/11/938987811.db2.gz FIUFDIUUZZRSKG-SFHVURJKSA-N 2 1 371.500 3.686 20 0 FHADMP Cc1cc2cc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)oc2cc1C ZINC000685458012 938988025 /nfs/dbraw/zinc/98/80/25/938988025.db2.gz XIIRRWOZZQKDTF-HXUWFJFHSA-N 2 1 355.526 3.650 20 0 FHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000685457787 938988058 /nfs/dbraw/zinc/98/80/58/938988058.db2.gz NRZACBWGGHSHGP-NRFANRHFSA-N 2 1 367.537 3.855 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc4cnccc4o3)CC2)nc(C)[nH+]1 ZINC000657900797 938993205 /nfs/dbraw/zinc/99/32/05/938993205.db2.gz NCPPUGYHKWQGNT-AWEZNQCLSA-N 2 1 351.454 3.554 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1O ZINC000685646856 939007738 /nfs/dbraw/zinc/00/77/38/939007738.db2.gz UFSSPNLYRPDXCD-PKOBYXMFSA-N 2 1 354.494 3.616 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000685646856 939007739 /nfs/dbraw/zinc/00/77/39/939007739.db2.gz UFSSPNLYRPDXCD-PKOBYXMFSA-N 2 1 354.494 3.616 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102628 939026513 /nfs/dbraw/zinc/02/65/13/939026513.db2.gz ZJWAGSMNJZWUDE-UGKGYDQZSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102628 939026514 /nfs/dbraw/zinc/02/65/14/939026514.db2.gz ZJWAGSMNJZWUDE-UGKGYDQZSA-N 2 1 364.537 3.682 20 0 FHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136754 939031002 /nfs/dbraw/zinc/03/10/02/939031002.db2.gz FBLDIKBHCWJHCT-BEFAXECRSA-N 2 1 374.912 3.766 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658118346 939031326 /nfs/dbraw/zinc/03/13/26/939031326.db2.gz DUJZMUSPXGXTCU-PKOBYXMFSA-N 2 1 354.494 3.704 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658118346 939031331 /nfs/dbraw/zinc/03/13/31/939031331.db2.gz DUJZMUSPXGXTCU-PKOBYXMFSA-N 2 1 354.494 3.704 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC(F)(F)CC1 ZINC000658142901 939035517 /nfs/dbraw/zinc/03/55/17/939035517.db2.gz ZTNOSRIZHLOMSJ-HNAYVOBHSA-N 2 1 352.469 3.557 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142140 939035561 /nfs/dbraw/zinc/03/55/61/939035561.db2.gz VBRKOFRAQOQURA-GCJKJVERSA-N 2 1 352.522 3.709 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138011 939040400 /nfs/dbraw/zinc/04/04/00/939040400.db2.gz LSLSBGPWLLPOBD-RDTXWAMCSA-N 2 1 362.876 3.897 20 0 FHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138176 939042551 /nfs/dbraw/zinc/04/25/51/939042551.db2.gz NBAMUEHAGXGIGX-BEFAXECRSA-N 2 1 374.912 3.766 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC(c4cccc(Cl)c4)C3)cc2)C1 ZINC000658140473 939044021 /nfs/dbraw/zinc/04/40/21/939044021.db2.gz ULGHNSSLVQOSDJ-VTLFHKLASA-N 2 1 370.924 3.942 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658212241 939065457 /nfs/dbraw/zinc/06/54/57/939065457.db2.gz JMYWYTOTBDGFJH-KSEOMHKRSA-N 2 1 364.537 3.688 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268209 939088310 /nfs/dbraw/zinc/08/83/10/939088310.db2.gz KVLGSYPQTVMFGG-DYESRHJHSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658268209 939088315 /nfs/dbraw/zinc/08/83/15/939088315.db2.gz KVLGSYPQTVMFGG-DYESRHJHSA-N 2 1 352.526 3.688 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000658254315 939090260 /nfs/dbraw/zinc/09/02/60/939090260.db2.gz PGHWRZYYZFJILT-WCIQWLHISA-N 2 1 366.590 3.839 20 0 FHADMP CC[N@@H+]1CCC[C@@H]1CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000023381046 939092133 /nfs/dbraw/zinc/09/21/33/939092133.db2.gz QVSOKZDSNOHMLH-MRXNPFEDSA-N 2 1 373.570 3.800 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000023381046 939092139 /nfs/dbraw/zinc/09/21/39/939092139.db2.gz QVSOKZDSNOHMLH-MRXNPFEDSA-N 2 1 373.570 3.800 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307994 939097767 /nfs/dbraw/zinc/09/77/67/939097767.db2.gz NVDHXVXVWAIEOJ-CTNGQTDRSA-N 2 1 371.569 3.573 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338596 939117236 /nfs/dbraw/zinc/11/72/36/939117236.db2.gz FQIWGUBGVYPRPK-REXJZNOJSA-N 2 1 364.533 3.936 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427274701 945244211 /nfs/dbraw/zinc/24/42/11/945244211.db2.gz MWMVHNCAFRLNPJ-IBGZPJMESA-N 2 1 371.569 3.847 20 0 FHADMP CCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000518267641 945271490 /nfs/dbraw/zinc/27/14/90/945271490.db2.gz OCBUGJPIRVGMIL-QHCPKHFHSA-N 2 1 367.537 3.554 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]CCCCCOc2ccccc2)[C@@H]1c1cccnc1 ZINC000375982461 940141635 /nfs/dbraw/zinc/14/16/35/940141635.db2.gz ZCPKTWPTWMQVQN-UNMCSNQZSA-N 2 1 353.510 3.913 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]CCCCCOc2ccccc2)[C@@H]1c1cccnc1 ZINC000375982461 940141639 /nfs/dbraw/zinc/14/16/39/940141639.db2.gz ZCPKTWPTWMQVQN-UNMCSNQZSA-N 2 1 353.510 3.913 20 0 FHADMP Clc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133128796 940267267 /nfs/dbraw/zinc/26/72/67/940267267.db2.gz PVVNIPUZTBXGOH-KBXCAEBGSA-N 2 1 366.958 3.967 20 0 FHADMP Clc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133129218 940267389 /nfs/dbraw/zinc/26/73/89/940267389.db2.gz PVVNIPUZTBXGOH-RDTXWAMCSA-N 2 1 366.958 3.967 20 0 FHADMP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000570407156 940291544 /nfs/dbraw/zinc/29/15/44/940291544.db2.gz BCGKSVVOALVCJM-LJQANCHMSA-N 2 1 352.482 3.650 20 0 FHADMP C[C@]12CC3(O)CC([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)(C1)C[C@@](C)(C3)C2 ZINC001167966285 945311127 /nfs/dbraw/zinc/31/11/27/945311127.db2.gz SSHYLBOEKBAABP-SDFAFODESA-N 2 1 358.570 3.845 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497707 940376450 /nfs/dbraw/zinc/37/64/50/940376450.db2.gz SGGHXWZCHOPZAH-FXAWDEMLSA-N 2 1 360.933 3.761 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000431728407 940428910 /nfs/dbraw/zinc/42/89/10/940428910.db2.gz NIMSMPOQRNSGQG-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000431728407 940428913 /nfs/dbraw/zinc/42/89/13/940428913.db2.gz NIMSMPOQRNSGQG-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000431728407 940428915 /nfs/dbraw/zinc/42/89/15/940428915.db2.gz NIMSMPOQRNSGQG-NRFANRHFSA-N 2 1 357.542 3.552 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000414056839 940464789 /nfs/dbraw/zinc/46/47/89/940464789.db2.gz DWUMJXPQEVVTFI-GOSISDBHSA-N 2 1 354.494 3.687 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431749231 940469564 /nfs/dbraw/zinc/46/95/64/940469564.db2.gz BPQLWZNKIBPLDH-SVFBPWRDSA-N 2 1 359.558 3.554 20 0 FHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H]1C[C@@H]1C ZINC000414062286 940470375 /nfs/dbraw/zinc/47/03/75/940470375.db2.gz BKMDWHJUCWPXAM-WTOYTKOKSA-N 2 1 360.542 3.700 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414072540 940480264 /nfs/dbraw/zinc/48/02/64/940480264.db2.gz MQYDGHZAUCQOCR-MJGOQNOKSA-N 2 1 350.934 3.803 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431764032 940481839 /nfs/dbraw/zinc/48/18/39/940481839.db2.gz YKIPERPOPXEWJW-SIKLNZKXSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431764032 940481841 /nfs/dbraw/zinc/48/18/41/940481841.db2.gz YKIPERPOPXEWJW-SIKLNZKXSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431764032 940481844 /nfs/dbraw/zinc/48/18/44/940481844.db2.gz YKIPERPOPXEWJW-SIKLNZKXSA-N 2 1 371.569 3.799 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295997 940718443 /nfs/dbraw/zinc/71/84/43/940718443.db2.gz MITOHHHXWIPYAN-QZTJIDSGSA-N 2 1 371.569 3.594 20 0 FHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184868 940726532 /nfs/dbraw/zinc/72/65/32/940726532.db2.gz OOZLWACMNMDXKO-UONOGXRCSA-N 2 1 372.294 3.674 20 0 FHADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189908 940737456 /nfs/dbraw/zinc/73/74/56/940737456.db2.gz RNEVGFAUCDKVKM-HOCLYGCPSA-N 2 1 361.921 3.612 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)C2CCCCC2)CC1 ZINC000613492741 940774111 /nfs/dbraw/zinc/77/41/11/940774111.db2.gz OJMOTNPMYKLJAO-UHFFFAOYSA-N 2 1 351.579 3.612 20 0 FHADMP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290872 940901333 /nfs/dbraw/zinc/90/13/33/940901333.db2.gz NYDWXHBDISVRHW-XXTHSBEZSA-N 2 1 368.496 3.687 20 0 FHADMP Cc1ccc(-c2noc(CCCN3CCC[C@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000660659738 945363864 /nfs/dbraw/zinc/36/38/64/945363864.db2.gz QJZNWDKVSSXGQL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000660659738 945363878 /nfs/dbraw/zinc/36/38/78/945363878.db2.gz QJZNWDKVSSXGQL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000660659738 945363890 /nfs/dbraw/zinc/36/38/90/945363890.db2.gz QJZNWDKVSSXGQL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000660659738 945363901 /nfs/dbraw/zinc/36/39/01/945363901.db2.gz QJZNWDKVSSXGQL-OAQYLSRUSA-N 2 1 372.488 3.534 20 0 FHADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601617 941001033 /nfs/dbraw/zinc/00/10/33/941001033.db2.gz IRFMQZVTVMKPOA-CVEARBPZSA-N 2 1 354.441 3.651 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OC(F)F ZINC000326601617 941001038 /nfs/dbraw/zinc/00/10/38/941001038.db2.gz IRFMQZVTVMKPOA-CVEARBPZSA-N 2 1 354.441 3.651 20 0 FHADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543140 941065098 /nfs/dbraw/zinc/06/50/98/941065098.db2.gz HZZFCYMIKDCFFW-WOJBJXKFSA-N 2 1 365.521 3.872 20 0 FHADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543297 941065302 /nfs/dbraw/zinc/06/53/02/941065302.db2.gz KTRHZBWMBBDBKH-CABCVRRESA-N 2 1 367.331 3.669 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543564 941065420 /nfs/dbraw/zinc/06/54/20/941065420.db2.gz PMURTJNPVILZIR-SJORKVTESA-N 2 1 368.468 3.898 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544014 941065794 /nfs/dbraw/zinc/06/57/94/941065794.db2.gz VOOQMCSRTQRRIG-HOTGVXAUSA-N 2 1 367.331 3.669 20 0 FHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000685926511 941080773 /nfs/dbraw/zinc/08/07/73/941080773.db2.gz DDOQUMZEUHBCSE-OALUTQOASA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000685926511 941080777 /nfs/dbraw/zinc/08/07/77/941080777.db2.gz DDOQUMZEUHBCSE-OALUTQOASA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000685926511 941080778 /nfs/dbraw/zinc/08/07/78/941080778.db2.gz DDOQUMZEUHBCSE-OALUTQOASA-N 2 1 374.573 3.589 20 0 FHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc(C(C)C)n1 ZINC000302797639 941124029 /nfs/dbraw/zinc/12/40/29/941124029.db2.gz RCXQGZUSEOMEOT-IBGZPJMESA-N 2 1 354.498 3.611 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000628421942 941136772 /nfs/dbraw/zinc/13/67/72/941136772.db2.gz GGUDXPWKRFWHBQ-UHFFFAOYSA-N 2 1 351.485 3.838 20 0 FHADMP C[NH2+][C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000659296915 941150493 /nfs/dbraw/zinc/15/04/93/941150493.db2.gz JGSFSLDLPWLNIK-QGZVFWFLSA-N 2 1 364.276 3.538 20 0 FHADMP OCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000165641161 941156940 /nfs/dbraw/zinc/15/69/40/941156940.db2.gz NLEBAQNACZRYCT-UHFFFAOYSA-N 2 1 362.533 3.755 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000166240236 941228116 /nfs/dbraw/zinc/22/81/16/941228116.db2.gz RAJMKXLAFYFLEE-WIYYLYMNSA-N 2 1 362.477 3.833 20 0 FHADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000311429614 941288852 /nfs/dbraw/zinc/28/88/52/941288852.db2.gz GSABDXLCSRPKIS-JOCHJYFZSA-N 2 1 354.542 3.719 20 0 FHADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000311429614 941288854 /nfs/dbraw/zinc/28/88/54/941288854.db2.gz GSABDXLCSRPKIS-JOCHJYFZSA-N 2 1 354.542 3.719 20 0 FHADMP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636151 941369745 /nfs/dbraw/zinc/36/97/45/941369745.db2.gz DXKBHXPUJUDVHK-DYXWJJEUSA-N 2 1 361.599 3.515 20 0 FHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000376690881 941374426 /nfs/dbraw/zinc/37/44/26/941374426.db2.gz RCHVPINVLAPDMJ-ZHAWHOEGSA-N 2 1 356.510 3.775 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832547 941443514 /nfs/dbraw/zinc/44/35/14/941443514.db2.gz VWMSINIIVBCYTO-XAUMDUMWSA-N 2 1 367.522 3.672 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832547 941443516 /nfs/dbraw/zinc/44/35/16/941443516.db2.gz VWMSINIIVBCYTO-XAUMDUMWSA-N 2 1 367.522 3.672 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H]1c1cccnc1 ZINC000376969259 941480806 /nfs/dbraw/zinc/48/08/06/941480806.db2.gz UXXCQUYEZCSNLU-GOTSBHOMSA-N 2 1 358.489 3.926 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H]1c1cccnc1 ZINC000376969259 941480808 /nfs/dbraw/zinc/48/08/08/941480808.db2.gz UXXCQUYEZCSNLU-GOTSBHOMSA-N 2 1 358.489 3.926 20 0 FHADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(Cl)c1 ZINC000278810900 941508863 /nfs/dbraw/zinc/50/88/63/941508863.db2.gz GPAMACCNLBLWBJ-IBGZPJMESA-N 2 1 359.901 3.786 20 0 FHADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCCC[NH+]1C ZINC000472676752 941551065 /nfs/dbraw/zinc/55/10/65/941551065.db2.gz GDLMEMSSWLPTAU-HXUWFJFHSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCCC[N@@H+]1C ZINC000472676752 941551070 /nfs/dbraw/zinc/55/10/70/941551070.db2.gz GDLMEMSSWLPTAU-HXUWFJFHSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCCC[N@H+]1C ZINC000472676752 941551074 /nfs/dbraw/zinc/55/10/74/941551074.db2.gz GDLMEMSSWLPTAU-HXUWFJFHSA-N 2 1 358.505 3.955 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415052214 941567629 /nfs/dbraw/zinc/56/76/29/941567629.db2.gz MUPONOOSRBZBIS-IFMALSPDSA-N 2 1 351.494 3.625 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@@H](c2ccccc2)C1 ZINC000415044662 941569136 /nfs/dbraw/zinc/56/91/36/941569136.db2.gz AVDNGDJVAABZFA-BFWHROOCSA-N 2 1 355.570 3.765 20 0 FHADMP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000415045912 941569354 /nfs/dbraw/zinc/56/93/54/941569354.db2.gz BZKVDOJNEWWVLY-HSZRJFAPSA-N 3 1 369.528 3.902 20 0 FHADMP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415060655 941579298 /nfs/dbraw/zinc/57/92/98/941579298.db2.gz XFURQYLSZCJTLE-JSRAGOMMSA-N 2 1 361.961 3.782 20 0 FHADMP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415078220 941587768 /nfs/dbraw/zinc/58/77/68/941587768.db2.gz GDPWLERIOZRVNX-FGZHOGPDSA-N 2 1 360.505 3.557 20 0 FHADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000415123855 941620080 /nfs/dbraw/zinc/62/00/80/941620080.db2.gz JUZWNFVQGZGMGI-GXTWGEPZSA-N 2 1 352.404 3.512 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415130103 941623597 /nfs/dbraw/zinc/62/35/97/941623597.db2.gz QJLBRWLQYCXHPP-FUHWJXTLSA-N 2 1 373.324 3.720 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513204754 941780210 /nfs/dbraw/zinc/78/02/10/941780210.db2.gz WBTYAQHLDPSZRA-RXVVDRJESA-N 2 1 351.494 3.658 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513204754 941780213 /nfs/dbraw/zinc/78/02/13/941780213.db2.gz WBTYAQHLDPSZRA-RXVVDRJESA-N 2 1 351.494 3.658 20 0 FHADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)CC1 ZINC000377623451 941849730 /nfs/dbraw/zinc/84/97/30/941849730.db2.gz JLGPEHQKJAIFMZ-IBGZPJMESA-N 2 1 369.509 3.531 20 0 FHADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)CC1 ZINC000377623451 941849734 /nfs/dbraw/zinc/84/97/34/941849734.db2.gz JLGPEHQKJAIFMZ-IBGZPJMESA-N 2 1 369.509 3.531 20 0 FHADMP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377623858 941853292 /nfs/dbraw/zinc/85/32/92/941853292.db2.gz IQSLHORQJJDGKB-YIONKMFJSA-N 2 1 360.395 3.824 20 0 FHADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377623858 941853297 /nfs/dbraw/zinc/85/32/97/941853297.db2.gz IQSLHORQJJDGKB-YIONKMFJSA-N 2 1 360.395 3.824 20 0 FHADMP C[NH+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377623858 941853301 /nfs/dbraw/zinc/85/33/01/941853301.db2.gz IQSLHORQJJDGKB-YIONKMFJSA-N 2 1 360.395 3.824 20 0 FHADMP C[NH+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377623858 941853304 /nfs/dbraw/zinc/85/33/04/941853304.db2.gz IQSLHORQJJDGKB-YIONKMFJSA-N 2 1 360.395 3.824 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513329161 941854955 /nfs/dbraw/zinc/85/49/55/941854955.db2.gz BGPUARPWOJCIQN-PMOQBDJRSA-N 2 1 352.522 3.887 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513329161 941854957 /nfs/dbraw/zinc/85/49/57/941854957.db2.gz BGPUARPWOJCIQN-PMOQBDJRSA-N 2 1 352.522 3.887 20 0 FHADMP CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286304 941876430 /nfs/dbraw/zinc/87/64/30/941876430.db2.gz FXENBHDYOHXGLV-CABCVRRESA-N 2 1 371.447 3.887 20 0 FHADMP C[N@@H+](C1CC[NH+](C2CCOCC2)CC1)[C@H]1CSCCc2ccccc21 ZINC000377656743 941878993 /nfs/dbraw/zinc/87/89/93/941878993.db2.gz YJKRFZMGAANHET-NRFANRHFSA-N 2 1 360.567 3.592 20 0 FHADMP C[N@@H+](CCN1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000513448172 941935802 /nfs/dbraw/zinc/93/58/02/941935802.db2.gz RVPHMQDTJPCSFV-RPWUZVMVSA-N 2 1 363.549 3.540 20 0 FHADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000513460827 941940032 /nfs/dbraw/zinc/94/00/32/941940032.db2.gz IKMFEDGACBZWCG-ZWKOTPCHSA-N 2 1 369.347 3.583 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1nccc2ccccc21 ZINC000377811955 942007401 /nfs/dbraw/zinc/00/74/01/942007401.db2.gz QZHBDFHBYWUFCE-MEZWHVQBSA-N 2 1 353.510 3.775 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1nccc2ccccc21 ZINC000377811955 942007405 /nfs/dbraw/zinc/00/74/05/942007405.db2.gz QZHBDFHBYWUFCE-MEZWHVQBSA-N 2 1 353.510 3.775 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cn3ccccc3n2)CC1 ZINC000513655327 942057750 /nfs/dbraw/zinc/05/77/50/942057750.db2.gz LSTKFARPGLANSP-UHFFFAOYSA-N 2 1 362.521 3.910 20 0 FHADMP C[NH+](C)CCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000237101062 942102940 /nfs/dbraw/zinc/10/29/40/942102940.db2.gz DJXKQUNFXDBFGJ-CYBMUJFWSA-N 2 1 358.326 3.600 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCC[NH+]3CCCC3)c2c1C ZINC000501951735 942130837 /nfs/dbraw/zinc/13/08/37/942130837.db2.gz VSPSERVUWYBLKX-UHFFFAOYSA-N 2 1 373.570 3.802 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000415907665 942135793 /nfs/dbraw/zinc/13/57/93/942135793.db2.gz BSFCQJUQWRFMTE-MSOLQXFVSA-N 2 1 358.530 3.524 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000415912692 942136474 /nfs/dbraw/zinc/13/64/74/942136474.db2.gz MONQUIYGWIKPCX-UHFFFAOYSA-N 2 1 368.525 3.828 20 0 FHADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513691103 942140349 /nfs/dbraw/zinc/14/03/49/942140349.db2.gz QZBDVTVZGFHHPJ-CEXWTWQISA-N 2 1 353.510 3.850 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000415917251 942141727 /nfs/dbraw/zinc/14/17/27/942141727.db2.gz IRVBIFUZRJQSHE-HXUWFJFHSA-N 2 1 358.530 3.572 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000415911762 942146058 /nfs/dbraw/zinc/14/60/58/942146058.db2.gz JWDYSBAXQGUOCE-LJQANCHMSA-N 2 1 358.530 3.572 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931338 942166683 /nfs/dbraw/zinc/16/66/83/942166683.db2.gz KTGYNOMTTQRZQE-LAUBAEHRSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000415953342 942193426 /nfs/dbraw/zinc/19/34/26/942193426.db2.gz LEGMTJWOGNRHKK-OALUTQOASA-N 2 1 372.557 3.914 20 0 FHADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697678 942204160 /nfs/dbraw/zinc/20/41/60/942204160.db2.gz QNEGVVZQRGFQNF-KJJMTIBFSA-N 2 1 364.537 3.547 20 0 FHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431855944 942205901 /nfs/dbraw/zinc/20/59/01/942205901.db2.gz CTPKVIQDFXHZNM-VXKWHMMOSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431855944 942205906 /nfs/dbraw/zinc/20/59/06/942205906.db2.gz CTPKVIQDFXHZNM-VXKWHMMOSA-N 2 1 371.569 3.622 20 0 FHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431855944 942205909 /nfs/dbraw/zinc/20/59/09/942205909.db2.gz CTPKVIQDFXHZNM-VXKWHMMOSA-N 2 1 371.569 3.622 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000415959690 942208290 /nfs/dbraw/zinc/20/82/90/942208290.db2.gz TUZNNFWENGUEJP-HXUWFJFHSA-N 2 1 366.509 3.582 20 0 FHADMP CCc1oc2ccccc2c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000513697746 942211364 /nfs/dbraw/zinc/21/13/64/942211364.db2.gz RCUWSRYJQCNVQD-GOSISDBHSA-N 2 1 355.526 3.597 20 0 FHADMP CCc1oc2ccccc2c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000513697747 942211582 /nfs/dbraw/zinc/21/15/82/942211582.db2.gz RCUWSRYJQCNVQD-SFHVURJKSA-N 2 1 355.526 3.597 20 0 FHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972058 942218323 /nfs/dbraw/zinc/21/83/23/942218323.db2.gz OPLCCQJSZCWJPV-BETUJISGSA-N 2 1 372.435 3.549 20 0 FHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980965 942225914 /nfs/dbraw/zinc/22/59/14/942225914.db2.gz UFXJVIOMCGRVNO-FQEVSTJZSA-N 2 1 366.509 3.521 20 0 FHADMP COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420900911 942244972 /nfs/dbraw/zinc/24/49/72/942244972.db2.gz JVVZUJDLUDTHFB-SFHVURJKSA-N 2 1 354.494 3.720 20 0 FHADMP COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420900911 942244975 /nfs/dbraw/zinc/24/49/75/942244975.db2.gz JVVZUJDLUDTHFB-SFHVURJKSA-N 2 1 354.494 3.720 20 0 FHADMP c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420929149 942259134 /nfs/dbraw/zinc/25/91/34/942259134.db2.gz CMUWNBXEKTZGRM-QHCPKHFHSA-N 2 1 365.521 3.595 20 0 FHADMP c1ccc(N[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420929149 942259139 /nfs/dbraw/zinc/25/91/39/942259139.db2.gz CMUWNBXEKTZGRM-QHCPKHFHSA-N 2 1 365.521 3.595 20 0 FHADMP C[N@H+](CC(=O)c1c[nH]c2ccccc12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040263 942271233 /nfs/dbraw/zinc/27/12/33/942271233.db2.gz PMLHDBFCABIOMX-UHFFFAOYSA-N 2 1 362.477 3.594 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSC3CCCCC3)CC2)CC1 ZINC000420982466 942280759 /nfs/dbraw/zinc/28/07/59/942280759.db2.gz OTVZCJLFDQKSQU-UHFFFAOYSA-N 2 1 353.620 3.544 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3c(C)cccc3C)CC2)CC1 ZINC000420979882 942289266 /nfs/dbraw/zinc/28/92/66/942289266.db2.gz KWTJJPDOKWDGHF-UHFFFAOYSA-N 2 1 373.585 3.564 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3cc(C)ccc3C)CC2)CC1 ZINC000421012822 942291671 /nfs/dbraw/zinc/29/16/71/942291671.db2.gz QPVNPVNXECIGIN-UHFFFAOYSA-N 2 1 373.585 3.564 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000180415261 942364491 /nfs/dbraw/zinc/36/44/91/942364491.db2.gz DPMWDPRWBKRQSZ-CZUORRHYSA-N 2 1 355.320 3.625 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000180415261 942364496 /nfs/dbraw/zinc/36/44/96/942364496.db2.gz DPMWDPRWBKRQSZ-CZUORRHYSA-N 2 1 355.320 3.625 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000180415261 942364500 /nfs/dbraw/zinc/36/45/00/942364500.db2.gz DPMWDPRWBKRQSZ-CZUORRHYSA-N 2 1 355.320 3.625 20 0 FHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868306 942379323 /nfs/dbraw/zinc/37/93/23/942379323.db2.gz FUPKTHRYNFRIIU-KPZWWZAWSA-N 2 1 368.905 3.925 20 0 FHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868306 942379327 /nfs/dbraw/zinc/37/93/27/942379327.db2.gz FUPKTHRYNFRIIU-KPZWWZAWSA-N 2 1 368.905 3.925 20 0 FHADMP [NH3+]CCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378203384 942392774 /nfs/dbraw/zinc/39/27/74/942392774.db2.gz QDNGSWAFAISLPS-LEWJYISDSA-N 2 1 357.542 3.551 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908430 942395681 /nfs/dbraw/zinc/39/56/81/942395681.db2.gz FKOVVMZFWNYNRX-YMPZKCBVSA-N 2 1 355.570 3.672 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168461 942436168 /nfs/dbraw/zinc/43/61/68/942436168.db2.gz YFYXLVQLYHFLFK-SJBKTWHCSA-N 2 1 371.569 3.792 20 0 FHADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406590 942480103 /nfs/dbraw/zinc/48/01/03/942480103.db2.gz FODDIWDAGFNDFS-HNAYVOBHSA-N 2 1 356.539 3.597 20 0 FHADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406590 942480109 /nfs/dbraw/zinc/48/01/09/942480109.db2.gz FODDIWDAGFNDFS-HNAYVOBHSA-N 2 1 356.539 3.597 20 0 FHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCn1ccnc1 ZINC000181100474 942485191 /nfs/dbraw/zinc/48/51/91/942485191.db2.gz UNFKUVXCOCPFSS-GFCCVEGCSA-N 2 1 355.269 3.539 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000501519960 942521774 /nfs/dbraw/zinc/52/17/74/942521774.db2.gz WAORQJOQKACVCN-MOPGFXCFSA-N 2 1 374.573 3.591 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374097 942525625 /nfs/dbraw/zinc/52/56/25/942525625.db2.gz NKNHUGOLKUHTBC-DNQXCXABSA-N 2 1 369.597 3.989 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375483 942527071 /nfs/dbraw/zinc/52/70/71/942527071.db2.gz PFEDCKLGGATDOK-QGZVFWFLSA-N 2 1 365.512 3.560 20 0 FHADMP Brc1cccc2c1OCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000501531651 942534250 /nfs/dbraw/zinc/53/42/50/942534250.db2.gz LXLMNCZUZDXFEW-MRXNPFEDSA-N 2 1 353.304 3.738 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414441217 942534774 /nfs/dbraw/zinc/53/47/74/942534774.db2.gz JFXOCMDCJOEZAK-UHFFFAOYSA-N 2 1 369.488 3.991 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414441217 942534778 /nfs/dbraw/zinc/53/47/78/942534778.db2.gz JFXOCMDCJOEZAK-UHFFFAOYSA-N 2 1 369.488 3.991 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CC34CCSCC4)sc2C1 ZINC000421392081 942543707 /nfs/dbraw/zinc/54/37/07/942543707.db2.gz XCBOSVVJLKJILC-AWEZNQCLSA-N 2 1 351.585 3.533 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CC34CCSCC4)sc2C1 ZINC000421392081 942543710 /nfs/dbraw/zinc/54/37/10/942543710.db2.gz XCBOSVVJLKJILC-AWEZNQCLSA-N 2 1 351.585 3.533 20 0 FHADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501550984 942545018 /nfs/dbraw/zinc/54/50/18/942545018.db2.gz MASNOVCGTPWLNW-CZUORRHYSA-N 2 1 353.304 3.737 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501550984 942545021 /nfs/dbraw/zinc/54/50/21/942545021.db2.gz MASNOVCGTPWLNW-CZUORRHYSA-N 2 1 353.304 3.737 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000420295395 942598354 /nfs/dbraw/zinc/59/83/54/942598354.db2.gz AFWMAKQPFPOVIO-OAQYLSRUSA-N 2 1 366.505 3.641 20 0 FHADMP C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC[NH2+]CC1 ZINC000420276809 942601098 /nfs/dbraw/zinc/60/10/98/942601098.db2.gz SBMMHYAYPUWHQX-UHFFFAOYSA-N 2 1 360.914 3.900 20 0 FHADMP C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC[NH2+]CC1 ZINC000420276809 942601103 /nfs/dbraw/zinc/60/11/03/942601103.db2.gz SBMMHYAYPUWHQX-UHFFFAOYSA-N 2 1 360.914 3.900 20 0 FHADMP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299281 942609875 /nfs/dbraw/zinc/60/98/75/942609875.db2.gz IQDRXFVJICJMRT-BBRMVZONSA-N 2 1 353.304 3.594 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300428 942610245 /nfs/dbraw/zinc/61/02/45/942610245.db2.gz KJBSOHGPMSBLFV-IEBWSBKVSA-N 2 1 356.535 3.852 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000420301002 942611112 /nfs/dbraw/zinc/61/11/12/942611112.db2.gz IHPFAQNYCHGSDM-UTKZUKDTSA-N 2 1 370.493 3.592 20 0 FHADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420308236 942613782 /nfs/dbraw/zinc/61/37/82/942613782.db2.gz NGUUKIRXRKQBJD-OAQYLSRUSA-N 2 1 363.505 3.750 20 0 FHADMP COc1ccccc1CCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311550 942615079 /nfs/dbraw/zinc/61/50/79/942615079.db2.gz NNNPHQCCMCRRFK-OAQYLSRUSA-N 2 1 353.510 3.667 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@H]12 ZINC000420312556 942616176 /nfs/dbraw/zinc/61/61/76/942616176.db2.gz SLYNCNFSDCRWQX-QEMXTEJRSA-N 2 1 359.473 3.761 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@H]12 ZINC000420312556 942616179 /nfs/dbraw/zinc/61/61/79/942616179.db2.gz SLYNCNFSDCRWQX-QEMXTEJRSA-N 2 1 359.473 3.761 20 0 FHADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420361200 942638697 /nfs/dbraw/zinc/63/86/97/942638697.db2.gz HXNWOYMBBZUIOS-HYFFOGBASA-N 2 1 367.493 3.784 20 0 FHADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420373447 942644424 /nfs/dbraw/zinc/64/44/24/942644424.db2.gz RBLAEMZMHMHOLF-HNNXBMFYSA-N 2 1 358.313 3.819 20 0 FHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502694698 942662166 /nfs/dbraw/zinc/66/21/66/942662166.db2.gz AUHIXHPZXYBRPN-UDKICSLYSA-N 2 1 360.542 3.591 20 0 FHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406025 942663713 /nfs/dbraw/zinc/66/37/13/942663713.db2.gz NIBKMQDWNKNVFW-HLIPFELVSA-N 2 1 351.494 3.917 20 0 FHADMP c1ccc(COc2cncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000420411923 942665780 /nfs/dbraw/zinc/66/57/80/942665780.db2.gz YUPCHTMPAMBSJD-IRLDBZIGSA-N 2 1 351.494 3.625 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000420411923 942665787 /nfs/dbraw/zinc/66/57/87/942665787.db2.gz YUPCHTMPAMBSJD-IRLDBZIGSA-N 2 1 351.494 3.625 20 0 FHADMP CCOc1cc2c(cc1OCC)C[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000502693202 942674948 /nfs/dbraw/zinc/67/49/48/942674948.db2.gz SUSQEKHJYBOKFY-UHFFFAOYSA-N 2 1 357.498 3.827 20 0 FHADMP CCOc1cc2c(cc1OCC)C[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000502693202 942674951 /nfs/dbraw/zinc/67/49/51/942674951.db2.gz SUSQEKHJYBOKFY-UHFFFAOYSA-N 2 1 357.498 3.827 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000502750787 942716394 /nfs/dbraw/zinc/71/63/94/942716394.db2.gz YBOWQJBTXFUHRT-CEXWTWQISA-N 2 1 374.573 3.678 20 0 FHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085065 942735431 /nfs/dbraw/zinc/73/54/31/942735431.db2.gz SNHKZDYRIDIXHY-YSTOQKLRSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085065 942735434 /nfs/dbraw/zinc/73/54/34/942735434.db2.gz SNHKZDYRIDIXHY-YSTOQKLRSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085065 942735437 /nfs/dbraw/zinc/73/54/37/942735437.db2.gz SNHKZDYRIDIXHY-YSTOQKLRSA-N 2 1 361.599 3.984 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000514092855 942742339 /nfs/dbraw/zinc/74/23/39/942742339.db2.gz GLHJZHMBKPUZFE-CEXWTWQISA-N 2 1 355.530 3.676 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000502851830 942796382 /nfs/dbraw/zinc/79/63/82/942796382.db2.gz UVJXANIWVOTMBV-UHFFFAOYSA-N 2 1 368.525 3.527 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000502851830 942796386 /nfs/dbraw/zinc/79/63/86/942796386.db2.gz UVJXANIWVOTMBV-UHFFFAOYSA-N 2 1 368.525 3.527 20 0 FHADMP Cc1nccn1CCCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000502866768 942813296 /nfs/dbraw/zinc/81/32/96/942813296.db2.gz GLVCNAXUSXJUEH-FQEVSTJZSA-N 2 1 355.461 3.566 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000502866768 942813302 /nfs/dbraw/zinc/81/33/02/942813302.db2.gz GLVCNAXUSXJUEH-FQEVSTJZSA-N 2 1 355.461 3.566 20 0 FHADMP CC(=O)N1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000378501729 942832072 /nfs/dbraw/zinc/83/20/72/942832072.db2.gz WNHFFVUSLSXAKB-GCJKJVERSA-N 2 1 357.542 3.724 20 0 FHADMP COc1cc(Br)ccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000514233588 942844581 /nfs/dbraw/zinc/84/45/81/942844581.db2.gz BZRKSIIVNMUOEW-UHFFFAOYSA-N 2 1 355.320 3.857 20 0 FHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000514241974 942855768 /nfs/dbraw/zinc/85/57/68/942855768.db2.gz KCMFCZJKFGHCOV-SCFJIEIRSA-N 2 1 350.506 3.836 20 0 FHADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686031 942864390 /nfs/dbraw/zinc/86/43/90/942864390.db2.gz SWRJAYFWSGCTFQ-KSZLIROESA-N 2 1 372.557 3.577 20 0 FHADMP C[C@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414559161 942882118 /nfs/dbraw/zinc/88/21/18/942882118.db2.gz PHGVHSRUHBDCQT-BVXKKWFLSA-N 2 1 368.565 3.674 20 0 FHADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OCc1cccnc1 ZINC000414852063 942925632 /nfs/dbraw/zinc/92/56/32/942925632.db2.gz QFJDSOBHUBICPH-FQEVSTJZSA-N 2 1 369.509 3.666 20 0 FHADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072209 942956280 /nfs/dbraw/zinc/95/62/80/942956280.db2.gz ATSCMMIBDQVXOV-QFIPXVFZSA-N 2 1 352.522 3.945 20 0 FHADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072209 942956284 /nfs/dbraw/zinc/95/62/84/942956284.db2.gz ATSCMMIBDQVXOV-QFIPXVFZSA-N 2 1 352.522 3.945 20 0 FHADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072209 942956287 /nfs/dbraw/zinc/95/62/87/942956287.db2.gz ATSCMMIBDQVXOV-QFIPXVFZSA-N 2 1 352.522 3.945 20 0 FHADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075088 942959735 /nfs/dbraw/zinc/95/97/35/942959735.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 2 1 373.589 3.683 20 0 FHADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075088 942959742 /nfs/dbraw/zinc/95/97/42/942959742.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 2 1 373.589 3.683 20 0 FHADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075088 942959747 /nfs/dbraw/zinc/95/97/47/942959747.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 2 1 373.589 3.683 20 0 FHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854226 942968727 /nfs/dbraw/zinc/96/87/27/942968727.db2.gz URZWZOFVYRETFD-HNAYVOBHSA-N 2 1 365.949 3.574 20 0 FHADMP COCCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000271896415 943067055 /nfs/dbraw/zinc/06/70/55/943067055.db2.gz UDEFNFQDNIUMNR-GOSISDBHSA-N 2 1 367.331 3.768 20 0 FHADMP CN1CCC([N@@H+](CCO)Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000434989997 943089180 /nfs/dbraw/zinc/08/91/80/943089180.db2.gz DOXXLAYTHNXHBO-UHFFFAOYSA-N 2 1 360.542 3.534 20 0 FHADMP C[NH+]1CCC(N(CCO)Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000434989997 943089188 /nfs/dbraw/zinc/08/91/88/943089188.db2.gz DOXXLAYTHNXHBO-UHFFFAOYSA-N 2 1 360.542 3.534 20 0 FHADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000414659864 943134478 /nfs/dbraw/zinc/13/44/78/943134478.db2.gz UGWGOCNVMAMWFX-HXUWFJFHSA-N 2 1 360.505 3.687 20 0 FHADMP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361829 943143345 /nfs/dbraw/zinc/14/33/45/943143345.db2.gz SGLSARDCRAURIW-CTNGQTDRSA-N 2 1 355.570 3.894 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361829 943143349 /nfs/dbraw/zinc/14/33/49/943143349.db2.gz SGLSARDCRAURIW-CTNGQTDRSA-N 3 1 355.570 3.894 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361829 943143355 /nfs/dbraw/zinc/14/33/55/943143355.db2.gz SGLSARDCRAURIW-CTNGQTDRSA-N 3 1 355.570 3.894 20 0 FHADMP c1ncn(-c2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)n1 ZINC000272444665 943155988 /nfs/dbraw/zinc/15/59/88/943155988.db2.gz URQDFIGUDDCGNI-KOUNCHBCSA-N 2 1 373.504 3.553 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2)cs1 ZINC000422560667 943181597 /nfs/dbraw/zinc/18/15/97/943181597.db2.gz HKKLLIXZAJAYDC-MPGHIAIKSA-N 2 1 359.539 3.836 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000510025435 943209254 /nfs/dbraw/zinc/20/92/54/943209254.db2.gz DUOPYLPOSSAEKB-SFHVURJKSA-N 2 1 363.889 3.583 20 0 FHADMP C[C@@H](O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000272942752 943248408 /nfs/dbraw/zinc/24/84/08/943248408.db2.gz MLVSXTQYVLGLJT-QGZVFWFLSA-N 2 1 356.485 3.676 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422730689 943249342 /nfs/dbraw/zinc/24/93/42/943249342.db2.gz FFRZWLHUDPZDMS-JPYJTQIMSA-N 2 1 366.553 3.973 20 0 FHADMP CC(=O)Nc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000093006796 943269618 /nfs/dbraw/zinc/26/96/18/943269618.db2.gz UEMGIJVUINVXRU-UHFFFAOYSA-N 2 1 365.521 3.989 20 0 FHADMP CC(C)(C)c1csc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422747252 943270515 /nfs/dbraw/zinc/27/05/15/943270515.db2.gz YGWKHJZXXSDEHY-FOIQADDNSA-N 2 1 357.523 3.786 20 0 FHADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422794362 943285573 /nfs/dbraw/zinc/28/55/73/943285573.db2.gz UFOOBVVSPOOUGN-PMACEKPBSA-N 2 1 350.441 3.648 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797028 943287294 /nfs/dbraw/zinc/28/72/94/943287294.db2.gz KXXUDGAWKWCASB-FNAHDJPLSA-N 2 1 359.558 3.588 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422804754 943289534 /nfs/dbraw/zinc/28/95/34/943289534.db2.gz LCWSVOHHWRNOTA-KBXCAEBGSA-N 2 1 352.400 3.676 20 0 FHADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)ccc2NC1=O ZINC000422805445 943290352 /nfs/dbraw/zinc/29/03/52/943290352.db2.gz GVJZAJRYTLWDQE-MNXTYGCHSA-N 2 1 351.450 3.592 20 0 FHADMP Cc1cccc2nc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)cn21 ZINC000503614196 943291822 /nfs/dbraw/zinc/29/18/22/943291822.db2.gz JNCAYMMDYDEPLV-UHFFFAOYSA-N 2 1 362.521 3.987 20 0 FHADMP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700995 943313758 /nfs/dbraw/zinc/31/37/58/943313758.db2.gz JWNQRYVFZSVYJX-HKUYNNGSSA-N 2 1 371.550 3.509 20 0 FHADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1Br ZINC000422880069 943314971 /nfs/dbraw/zinc/31/49/71/943314971.db2.gz NDOSNOKXEIEJQL-CXAGYDPISA-N 2 1 363.299 3.506 20 0 FHADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1Br ZINC000422880078 943315043 /nfs/dbraw/zinc/31/50/43/943315043.db2.gz NDOSNOKXEIEJQL-SUMWQHHRSA-N 2 1 363.299 3.506 20 0 FHADMP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422885460 943317784 /nfs/dbraw/zinc/31/77/84/943317784.db2.gz YRYKXJWUHYWHEW-SUMWQHHRSA-N 2 1 357.325 3.772 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCCC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422886552 943318378 /nfs/dbraw/zinc/31/83/78/943318378.db2.gz WXLOJGWCKPLPSE-NYVOZVTQSA-N 2 1 359.558 3.733 20 0 FHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)sn1 ZINC000660150034 943321188 /nfs/dbraw/zinc/32/11/88/943321188.db2.gz NBPIIBJYVPLJPF-UHFFFAOYSA-N 2 1 357.523 3.640 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422873798 943322531 /nfs/dbraw/zinc/32/25/31/943322531.db2.gz BBGIPHKCWANIFS-KSSFIOAISA-N 2 1 352.400 3.676 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000422873572 943322544 /nfs/dbraw/zinc/32/25/44/943322544.db2.gz LQGCUZDFXFZALI-ARFHVFGLSA-N 2 1 354.441 3.697 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)[C@H]1CCC[NH2+]1 ZINC000422903629 943325988 /nfs/dbraw/zinc/32/59/88/943325988.db2.gz FXRXNQHVFPJZQM-FDDCHVKYSA-N 2 1 360.505 3.829 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1c[nH+]ccc1N ZINC000422904600 943326458 /nfs/dbraw/zinc/32/64/58/943326458.db2.gz HBCDWQBQGRNBSO-XJKSGUPXSA-N 2 1 362.880 3.602 20 0 FHADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000414702859 943328347 /nfs/dbraw/zinc/32/83/47/943328347.db2.gz BMYUDXQSPDECCK-UHFFFAOYSA-N 2 1 358.530 3.667 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422895865 943331366 /nfs/dbraw/zinc/33/13/66/943331366.db2.gz XBFABDXLGWIHLI-WIYYLYMNSA-N 2 1 352.526 3.510 20 0 FHADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422922630 943332638 /nfs/dbraw/zinc/33/26/38/943332638.db2.gz QIOSCNBIKLUKIN-LLGFUMIMSA-N 2 1 374.550 3.512 20 0 FHADMP C[C@H](CC[N@H+]1CC[C@@H](c2ccncc2)C1)[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000584662851 943339701 /nfs/dbraw/zinc/33/97/01/943339701.db2.gz MWSVKRRENFQTHX-STZQEDGTSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccncc2)C1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000584662851 943339707 /nfs/dbraw/zinc/33/97/07/943339707.db2.gz MWSVKRRENFQTHX-STZQEDGTSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@@H](c2ccncc2)C1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000584662851 943339711 /nfs/dbraw/zinc/33/97/11/943339711.db2.gz MWSVKRRENFQTHX-STZQEDGTSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422953990 943348259 /nfs/dbraw/zinc/34/82/59/943348259.db2.gz GUJKKSKUFFYPEM-RHSMWYFYSA-N 2 1 352.400 3.632 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422994968 943353516 /nfs/dbraw/zinc/35/35/16/943353516.db2.gz WQSOZTNPXPCAPL-UPRAQXHNSA-N 2 1 364.411 3.591 20 0 FHADMP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975333 943355954 /nfs/dbraw/zinc/35/59/54/943355954.db2.gz SMUCYESCCLUZBF-KNQAVFIVSA-N 2 1 367.493 3.606 20 0 FHADMP CCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC[NH+](Cc2ccccc2)CC1 ZINC000423004171 943362000 /nfs/dbraw/zinc/36/20/00/943362000.db2.gz OIEKQLDVORFQTD-SFHVURJKSA-N 3 1 352.526 3.837 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435369980 943364143 /nfs/dbraw/zinc/36/41/43/943364143.db2.gz HEPPULANHNKDRS-APWZRJJASA-N 2 1 366.534 3.829 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435369980 943364151 /nfs/dbraw/zinc/36/41/51/943364151.db2.gz HEPPULANHNKDRS-APWZRJJASA-N 2 1 366.534 3.829 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000435377007 943366660 /nfs/dbraw/zinc/36/66/60/943366660.db2.gz XBAITTCJQYLAAT-DOTOQJQBSA-N 2 1 350.466 3.610 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cs1 ZINC000435378313 943366843 /nfs/dbraw/zinc/36/68/43/943366843.db2.gz CWPRWCIGPZNBNH-JJTKIYQPSA-N 2 1 357.523 3.745 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000435380342 943368895 /nfs/dbraw/zinc/36/88/95/943368895.db2.gz NSJODFOTVSYCID-IRXDYDNUSA-N 2 1 350.466 3.610 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c[nH+]ccc1N ZINC000423047702 943368818 /nfs/dbraw/zinc/36/88/18/943368818.db2.gz VLGFGOZFOOAJMH-NWDGAFQWSA-N 2 1 351.281 3.730 20 0 FHADMP C[N@H+]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022947 943369949 /nfs/dbraw/zinc/36/99/49/943369949.db2.gz ISHIISYELWPADL-UTRMSSBJSA-N 2 1 353.913 3.722 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000435391023 943378178 /nfs/dbraw/zinc/37/81/78/943378178.db2.gz VDMSGSILYQZIHQ-QGZVFWFLSA-N 2 1 360.885 3.708 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000435391023 943378182 /nfs/dbraw/zinc/37/81/82/943378182.db2.gz VDMSGSILYQZIHQ-QGZVFWFLSA-N 2 1 360.885 3.708 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1 ZINC000435393105 943379963 /nfs/dbraw/zinc/37/99/63/943379963.db2.gz YYXVCJPGEZVXPY-IBGZPJMESA-N 2 1 360.505 3.889 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1 ZINC000435393105 943379971 /nfs/dbraw/zinc/37/99/71/943379971.db2.gz YYXVCJPGEZVXPY-IBGZPJMESA-N 2 1 360.505 3.889 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435396503 943390226 /nfs/dbraw/zinc/39/02/26/943390226.db2.gz WKNRCMYRYZHSQS-KRWDZBQOSA-N 2 1 360.523 3.767 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435396503 943390235 /nfs/dbraw/zinc/39/02/35/943390235.db2.gz WKNRCMYRYZHSQS-KRWDZBQOSA-N 2 1 360.523 3.767 20 0 FHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097760 943393393 /nfs/dbraw/zinc/39/33/93/943393393.db2.gz BIGWTBACRNCIBD-AZUAARDMSA-N 2 1 359.558 3.560 20 0 FHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423101868 943394473 /nfs/dbraw/zinc/39/44/73/943394473.db2.gz DJWUDXVTZDRFED-IYWMVGAKSA-N 2 1 350.934 3.826 20 0 FHADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423100791 943394672 /nfs/dbraw/zinc/39/46/72/943394672.db2.gz BXSPRSSCPUBTEX-AEGPPILISA-N 2 1 358.404 3.604 20 0 FHADMP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414717628 943396910 /nfs/dbraw/zinc/39/69/10/943396910.db2.gz UPRAKDNZHXMSJS-GOSISDBHSA-N 2 1 360.546 3.946 20 0 FHADMP Cn1cnc2cc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435421555 943401786 /nfs/dbraw/zinc/40/17/86/943401786.db2.gz JZRNVLWHORDMLL-HXUWFJFHSA-N 2 1 366.534 3.779 20 0 FHADMP Cc1ccn2c(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cnc2c1 ZINC000435425342 943404982 /nfs/dbraw/zinc/40/49/82/943404982.db2.gz COXRIGSBXVYQDX-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP Cc1ccn2c(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cnc2c1 ZINC000435425342 943404986 /nfs/dbraw/zinc/40/49/86/943404986.db2.gz COXRIGSBXVYQDX-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP c1cc(C[N@@H+](Cc2cccc3c2OCCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425087 943405127 /nfs/dbraw/zinc/40/51/27/943405127.db2.gz BQOSYQFQSHOSMT-LJQANCHMSA-N 2 1 370.518 3.664 20 0 FHADMP Cc1ccn2c(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cnc2c1 ZINC000435425344 943405161 /nfs/dbraw/zinc/40/51/61/943405161.db2.gz COXRIGSBXVYQDX-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP Cc1ccn2c(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cnc2c1 ZINC000435425344 943405165 /nfs/dbraw/zinc/40/51/65/943405165.db2.gz COXRIGSBXVYQDX-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCc1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000503919073 943408642 /nfs/dbraw/zinc/40/86/42/943408642.db2.gz ZEYNJTKQKDZGQA-FQEVSTJZSA-N 2 1 370.516 3.619 20 0 FHADMP c1csc(C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000414722545 943431450 /nfs/dbraw/zinc/43/14/50/943431450.db2.gz MMZZYHHMXAOGKF-GBESFXJTSA-N 2 1 353.535 3.891 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(OC(F)(F)F)c1 ZINC000423188228 943434988 /nfs/dbraw/zinc/43/49/88/943434988.db2.gz NHEUWTMMPWVXIY-AWEZNQCLSA-N 2 1 353.388 3.811 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215892 943446468 /nfs/dbraw/zinc/44/64/68/943446468.db2.gz PDADYADARLAQSS-VBXVLJIWSA-N 3 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215892 943446470 /nfs/dbraw/zinc/44/64/70/943446470.db2.gz PDADYADARLAQSS-VBXVLJIWSA-N 2 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215892 943446473 /nfs/dbraw/zinc/44/64/73/943446473.db2.gz PDADYADARLAQSS-VBXVLJIWSA-N 2 1 353.554 3.550 20 0 FHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423261256 943454212 /nfs/dbraw/zinc/45/42/12/943454212.db2.gz JGPAYKKCYZRKBR-JXFKEZNVSA-N 2 1 356.514 3.557 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000423252627 943459623 /nfs/dbraw/zinc/45/96/23/943459623.db2.gz XXBGKZXPWODVHM-BWAGFHJFSA-N 2 1 361.574 3.536 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423250429 943459648 /nfs/dbraw/zinc/45/96/48/943459648.db2.gz VAJOPQYMCZCBHM-CDNPAEQRSA-N 2 1 366.553 3.705 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1 ZINC000423317313 943474008 /nfs/dbraw/zinc/47/40/08/943474008.db2.gz ARHNZLUEHVOREN-CCKFTAQKSA-N 2 1 352.469 3.944 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423318211 943474096 /nfs/dbraw/zinc/47/40/96/943474096.db2.gz CZOFWDBTJYBOEB-ZWNOBZJWSA-N 2 1 366.328 3.887 20 0 FHADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000515052900 943477241 /nfs/dbraw/zinc/47/72/41/943477241.db2.gz OBGBDMDVMCXVIU-HMXCVIKNSA-N 2 1 354.542 3.947 20 0 FHADMP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414736210 943485750 /nfs/dbraw/zinc/48/57/50/943485750.db2.gz MUHSBEHYAJCHTJ-OLZOCXBDSA-N 2 1 358.313 3.642 20 0 FHADMP CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435626476 943526838 /nfs/dbraw/zinc/52/68/38/943526838.db2.gz KQUMXCOXIAQRGK-CQSZACIVSA-N 2 1 358.313 3.786 20 0 FHADMP CC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627756 943526901 /nfs/dbraw/zinc/52/69/01/943526901.db2.gz SHLFPGASCCLFGI-KRWDZBQOSA-N 2 1 360.477 3.581 20 0 FHADMP CC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627758 943527038 /nfs/dbraw/zinc/52/70/38/943527038.db2.gz SHLFPGASCCLFGI-QGZVFWFLSA-N 2 1 360.477 3.581 20 0 FHADMP Fc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423500989 943530351 /nfs/dbraw/zinc/53/03/51/943530351.db2.gz CKIFWFZMLRHQTQ-VNXZQDSDSA-N 2 1 367.512 3.721 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345503 943532761 /nfs/dbraw/zinc/53/27/61/943532761.db2.gz SBNONAKCIFKJFB-GEALJGNFSA-N 2 1 356.535 3.597 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347269 943535145 /nfs/dbraw/zinc/53/51/45/943535145.db2.gz VQNIQDMLTOCEJS-MBPVOVBZSA-N 2 1 370.562 3.987 20 0 FHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)c1 ZINC000423530792 943538554 /nfs/dbraw/zinc/53/85/54/943538554.db2.gz ZGBVDOYCMSHIPO-PGRDOPGGSA-N 2 1 354.494 3.603 20 0 FHADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)c1 ZINC000423530790 943538620 /nfs/dbraw/zinc/53/86/20/943538620.db2.gz ZGBVDOYCMSHIPO-AVRDEDQJSA-N 2 1 354.494 3.603 20 0 FHADMP Clc1ccc([C@H]2CC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000423511805 943541095 /nfs/dbraw/zinc/54/10/95/943541095.db2.gz PFARNCXMTLHEID-AFVILVPDSA-N 2 1 361.961 3.782 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423513289 943542244 /nfs/dbraw/zinc/54/22/44/943542244.db2.gz RPKWNSZLJCBZJM-HPDBWDTBSA-N 2 1 367.990 3.700 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423517474 943543443 /nfs/dbraw/zinc/54/34/43/943543443.db2.gz YXEINCAXYZOWQD-CDNPAEQRSA-N 2 1 351.538 3.749 20 0 FHADMP COc1ccc2cc([C@@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccc2c1 ZINC000423526639 943547438 /nfs/dbraw/zinc/54/74/38/943547438.db2.gz ZURMFACMDDLMOC-PPNDLDFTSA-N 2 1 367.537 3.715 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423538022 943551097 /nfs/dbraw/zinc/55/10/97/943551097.db2.gz LVOFVCXVRUAQLU-DNVJHFABSA-N 3 1 353.554 3.577 20 0 FHADMP Cn1ccnc1C[N@@H+](CCc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690916 943558845 /nfs/dbraw/zinc/55/88/45/943558845.db2.gz CDBFDESBYCOGCJ-QFIPXVFZSA-N 2 1 374.532 3.760 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423573157 943560987 /nfs/dbraw/zinc/56/09/87/943560987.db2.gz YZRPHNJNJHEONE-CRAIPNDOSA-N 2 1 350.478 3.566 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424111153 943736101 /nfs/dbraw/zinc/73/61/01/943736101.db2.gz FVNCHMAPUXLHMW-PXNSSMCTSA-N 2 1 357.542 3.550 20 0 FHADMP [NH3+][C@H](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178782 943762105 /nfs/dbraw/zinc/76/21/05/943762105.db2.gz WVISLVKNSCUXSR-ZVDOUQERSA-N 2 1 361.574 3.540 20 0 FHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000435782158 943767458 /nfs/dbraw/zinc/76/74/58/943767458.db2.gz OSTBDMFLCKNRSD-VCSGRIEYSA-N 2 1 350.510 3.954 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778004 943779746 /nfs/dbraw/zinc/77/97/46/943779746.db2.gz IUOPXOXIZRHQGC-JKSUJKDBSA-N 2 1 352.906 3.569 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc2ccccc2n1 ZINC000660268100 943838070 /nfs/dbraw/zinc/83/80/70/943838070.db2.gz CCUTWBSBCRFANS-QZTJIDSGSA-N 2 1 360.505 3.876 20 0 FHADMP CC(C)[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491097 943856363 /nfs/dbraw/zinc/85/63/63/943856363.db2.gz GQMDRHMQGZCAEE-RBBKRZOGSA-N 2 1 371.569 3.620 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(OCc3ccccn3)c1)CC[NH2+]CC2 ZINC000424378815 943888006 /nfs/dbraw/zinc/88/80/06/943888006.db2.gz NWZRAPHLWOZZFL-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000516983173 943888203 /nfs/dbraw/zinc/88/82/03/943888203.db2.gz RWXUMPPXQKCUHZ-GOSISDBHSA-N 2 1 360.299 3.919 20 0 FHADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000516983173 943888209 /nfs/dbraw/zinc/88/82/09/943888209.db2.gz RWXUMPPXQKCUHZ-GOSISDBHSA-N 2 1 360.299 3.919 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000417849066 943908824 /nfs/dbraw/zinc/90/88/24/943908824.db2.gz CEGWWFVKMIGLNT-MRXNPFEDSA-N 2 1 369.513 3.593 20 0 FHADMP COc1cccc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000072726740 943986241 /nfs/dbraw/zinc/98/62/41/943986241.db2.gz DQDMTVYOKMRDMV-QHCPKHFHSA-N 2 1 367.537 3.552 20 0 FHADMP C[C@H](c1ccccc1)N1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417946813 943992006 /nfs/dbraw/zinc/99/20/06/943992006.db2.gz ZOCHXZFSCDUALU-GOSISDBHSA-N 2 1 365.521 3.704 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417946813 943992013 /nfs/dbraw/zinc/99/20/13/943992013.db2.gz ZOCHXZFSCDUALU-GOSISDBHSA-N 2 1 365.521 3.704 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1C ZINC000414798238 943994185 /nfs/dbraw/zinc/99/41/85/943994185.db2.gz ZYOUKSLXGYGBLL-UHFFFAOYSA-N 2 1 360.505 3.998 20 0 FHADMP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500087919 944081128 /nfs/dbraw/zinc/08/11/28/944081128.db2.gz HVJZVTGZCFIFEM-HNNXBMFYSA-N 2 1 358.448 3.588 20 0 FHADMP C[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500087919 944081134 /nfs/dbraw/zinc/08/11/34/944081134.db2.gz HVJZVTGZCFIFEM-HNNXBMFYSA-N 2 1 358.448 3.588 20 0 FHADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500121087 944135713 /nfs/dbraw/zinc/13/57/13/944135713.db2.gz ZCXJTUVEEXHDKJ-QFIPXVFZSA-N 2 1 363.565 3.741 20 0 FHADMP O[C@]1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000436235715 944138811 /nfs/dbraw/zinc/13/88/11/944138811.db2.gz ARPUESSOGCCVTL-VABKMULXSA-N 2 1 350.506 3.549 20 0 FHADMP O[C@]1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000436235715 944138813 /nfs/dbraw/zinc/13/88/13/944138813.db2.gz ARPUESSOGCCVTL-VABKMULXSA-N 2 1 350.506 3.549 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436274694 944171872 /nfs/dbraw/zinc/17/18/72/944171872.db2.gz MIFHTWVDTVGLRK-KDURUIRLSA-N 2 1 372.532 3.918 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C[C@H]1C ZINC000436296659 944181189 /nfs/dbraw/zinc/18/11/89/944181189.db2.gz SGHABJGARPSJSR-PIKOESSRSA-N 2 1 350.547 3.741 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000515756345 944184751 /nfs/dbraw/zinc/18/47/51/944184751.db2.gz ZNUMFLQUUVVQNW-ROUUACIJSA-N 2 1 359.558 3.701 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000759783112 944208836 /nfs/dbraw/zinc/20/88/36/944208836.db2.gz HFUCGZZXXQFEQG-UHFFFAOYSA-N 2 1 364.493 3.949 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000759783112 944208845 /nfs/dbraw/zinc/20/88/45/944208845.db2.gz HFUCGZZXXQFEQG-UHFFFAOYSA-N 2 1 364.493 3.949 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475277 944288078 /nfs/dbraw/zinc/28/80/78/944288078.db2.gz UXKWIJAOLPUEOG-MOPGFXCFSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475277 944288083 /nfs/dbraw/zinc/28/80/83/944288083.db2.gz UXKWIJAOLPUEOG-MOPGFXCFSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475277 944288093 /nfs/dbraw/zinc/28/80/93/944288093.db2.gz UXKWIJAOLPUEOG-MOPGFXCFSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000506475277 944288114 /nfs/dbraw/zinc/28/81/14/944288114.db2.gz UXKWIJAOLPUEOG-MOPGFXCFSA-N 2 1 374.525 3.771 20 0 FHADMP C[C@]1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311173270 944301212 /nfs/dbraw/zinc/30/12/12/944301212.db2.gz USMIUOQJCUPNMK-OKZBNKHCSA-N 2 1 356.432 3.598 20 0 FHADMP CC(C)N(C(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483932 944322006 /nfs/dbraw/zinc/32/20/06/944322006.db2.gz CXCDAOSXDLZCNV-AABGKKOBSA-N 2 1 351.579 3.607 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000439091105 944329944 /nfs/dbraw/zinc/32/99/44/944329944.db2.gz YOBUMRLODZCNPE-SJORKVTESA-N 2 1 361.530 3.959 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001167751368 944342171 /nfs/dbraw/zinc/34/21/71/944342171.db2.gz HUUMZDYDIIYSCF-QGZVFWFLSA-N 2 1 351.498 3.673 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001167751368 944342178 /nfs/dbraw/zinc/34/21/78/944342178.db2.gz HUUMZDYDIIYSCF-QGZVFWFLSA-N 2 1 351.498 3.673 20 0 FHADMP Cc1nnsc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835797 944344756 /nfs/dbraw/zinc/34/47/56/944344756.db2.gz HNETZYOVYMBEFE-HXUWFJFHSA-N 2 1 370.566 3.969 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373307 944362683 /nfs/dbraw/zinc/36/26/83/944362683.db2.gz OVCMUWGIIKODHY-UWWQBHOKSA-N 2 1 358.448 3.632 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373305 944363081 /nfs/dbraw/zinc/36/30/81/944363081.db2.gz OVCMUWGIIKODHY-KYJSFNMBSA-N 2 1 358.448 3.632 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000894316214 944370146 /nfs/dbraw/zinc/37/01/46/944370146.db2.gz JZSTUCYNQAUOCD-YWZLYKJASA-N 2 1 350.466 3.531 20 0 FHADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000894316214 944370148 /nfs/dbraw/zinc/37/01/48/944370148.db2.gz JZSTUCYNQAUOCD-YWZLYKJASA-N 2 1 350.466 3.531 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425954230 944377187 /nfs/dbraw/zinc/37/71/87/944377187.db2.gz MSMNTJRIIYHYAL-OAQYLSRUSA-N 2 1 373.928 3.719 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000111661250 944384316 /nfs/dbraw/zinc/38/43/16/944384316.db2.gz KXFGVFQQXODXEC-JOCHJYFZSA-N 2 1 371.569 3.622 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000111661250 944384322 /nfs/dbraw/zinc/38/43/22/944384322.db2.gz KXFGVFQQXODXEC-JOCHJYFZSA-N 2 1 371.569 3.622 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000111661250 944384330 /nfs/dbraw/zinc/38/43/30/944384330.db2.gz KXFGVFQQXODXEC-JOCHJYFZSA-N 2 1 371.569 3.622 20 0 FHADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000390530361 944384891 /nfs/dbraw/zinc/38/48/91/944384891.db2.gz DNNYIMSFBNNCJP-SFHVURJKSA-N 2 1 362.468 3.539 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000438186029 944403185 /nfs/dbraw/zinc/40/31/85/944403185.db2.gz DOLQKVGCMYORBR-XQUALCHDSA-N 2 1 364.533 3.795 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000438186029 944403187 /nfs/dbraw/zinc/40/31/87/944403187.db2.gz DOLQKVGCMYORBR-XQUALCHDSA-N 2 1 364.533 3.795 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000426316854 944444984 /nfs/dbraw/zinc/44/49/84/944444984.db2.gz KASCSEZRRUUFPX-UHFFFAOYSA-N 2 1 359.558 3.655 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981951 944492474 /nfs/dbraw/zinc/49/24/74/944492474.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981951 944492478 /nfs/dbraw/zinc/49/24/78/944492478.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981951 944492482 /nfs/dbraw/zinc/49/24/82/944492482.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981951 944492485 /nfs/dbraw/zinc/49/24/85/944492485.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981951 944492489 /nfs/dbraw/zinc/49/24/89/944492489.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 2 1 367.581 3.892 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577476 944497453 /nfs/dbraw/zinc/49/74/53/944497453.db2.gz CGALQUCBANIIHB-GUDVDZBRSA-N 2 1 370.459 3.988 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577476 944497457 /nfs/dbraw/zinc/49/74/57/944497457.db2.gz CGALQUCBANIIHB-GUDVDZBRSA-N 2 1 370.459 3.988 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1OCCc2ccccc21 ZINC000398156360 944529772 /nfs/dbraw/zinc/52/97/72/944529772.db2.gz QUYWCLKWRYURLN-SXSPYAJSSA-N 2 1 350.506 3.801 20 0 FHADMP C[NH+]1CCC(CCO)([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000517756359 944570123 /nfs/dbraw/zinc/57/01/23/944570123.db2.gz FCGSOSMGXXUVOL-UHFFFAOYSA-N 2 1 374.475 3.533 20 0 FHADMP Fc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550263257 944598949 /nfs/dbraw/zinc/59/89/49/944598949.db2.gz MFNWUCOSDBJWMP-OAQYLSRUSA-N 2 1 368.496 3.844 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398209704 944614818 /nfs/dbraw/zinc/61/48/18/944614818.db2.gz RWIVFXORIPORQY-UWJYYQICSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398209704 944614824 /nfs/dbraw/zinc/61/48/24/944614824.db2.gz RWIVFXORIPORQY-UWJYYQICSA-N 2 1 354.494 3.704 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC[C@H]3C(C)C)CC2)cs1 ZINC000925033089 944666015 /nfs/dbraw/zinc/66/60/15/944666015.db2.gz YUNJILUQBQFRBL-OALUTQOASA-N 2 1 365.587 3.568 20 0 FHADMP COC(=O)C1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426035204 944680379 /nfs/dbraw/zinc/68/03/79/944680379.db2.gz LDFSPLAQYYFPFV-GJHJYOIJSA-N 2 1 358.526 3.609 20 0 FHADMP CCCc1csc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426421948 944748417 /nfs/dbraw/zinc/74/84/17/944748417.db2.gz SKCSHBSMJSIMCK-CALCHBBNSA-N 2 1 365.587 3.807 20 0 FHADMP CCCc1csc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426421948 944748422 /nfs/dbraw/zinc/74/84/22/944748422.db2.gz SKCSHBSMJSIMCK-CALCHBBNSA-N 2 1 365.587 3.807 20 0 FHADMP CC1([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[NH2+]CC1 ZINC000414936629 944850387 /nfs/dbraw/zinc/85/03/87/944850387.db2.gz GXQRSAJKQOPTBJ-UHFFFAOYSA-N 2 1 357.885 3.824 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884747 944903486 /nfs/dbraw/zinc/90/34/86/944903486.db2.gz MNICIHSKXDDHMB-VQIMIIECSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884747 944903494 /nfs/dbraw/zinc/90/34/94/944903494.db2.gz MNICIHSKXDDHMB-VQIMIIECSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884747 944903505 /nfs/dbraw/zinc/90/35/05/944903505.db2.gz MNICIHSKXDDHMB-VQIMIIECSA-N 2 1 365.949 3.571 20 0 FHADMP COc1ccc(OC)c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000518885400 944905766 /nfs/dbraw/zinc/90/57/66/944905766.db2.gz LVRNRCKRSIGEOX-UHFFFAOYSA-N 2 1 363.461 3.574 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1)C1CC1 ZINC000511681834 944913627 /nfs/dbraw/zinc/91/36/27/944913627.db2.gz PSDWXWSGRRJDLN-UHFFFAOYSA-N 2 1 371.569 3.865 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681900 944913979 /nfs/dbraw/zinc/91/39/79/944913979.db2.gz QGLBZEUQJRMOAD-CEXWTWQISA-N 2 1 371.569 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681900 944913986 /nfs/dbraw/zinc/91/39/86/944913986.db2.gz QGLBZEUQJRMOAD-CEXWTWQISA-N 2 1 371.569 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681900 944913993 /nfs/dbraw/zinc/91/39/93/944913993.db2.gz QGLBZEUQJRMOAD-CEXWTWQISA-N 2 1 371.569 3.767 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518028635 944948583 /nfs/dbraw/zinc/94/85/83/944948583.db2.gz RDIJENOBLAMLMW-RZUBCFFCSA-N 2 1 371.569 3.525 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518028635 944948595 /nfs/dbraw/zinc/94/85/95/944948595.db2.gz RDIJENOBLAMLMW-RZUBCFFCSA-N 2 1 371.569 3.525 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000518028635 944948606 /nfs/dbraw/zinc/94/86/06/944948606.db2.gz RDIJENOBLAMLMW-RZUBCFFCSA-N 2 1 371.569 3.525 20 0 FHADMP CC[C@@](C)(O)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000439769695 944973787 /nfs/dbraw/zinc/97/37/87/944973787.db2.gz OYESNWHONJYNLN-JOCHJYFZSA-N 2 1 364.493 3.739 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000427011650 944996619 /nfs/dbraw/zinc/99/66/19/944996619.db2.gz HZLSMWVDVXWSNQ-UHFFFAOYSA-N 2 1 350.503 3.573 20 0 FHADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414949286 945006263 /nfs/dbraw/zinc/00/62/63/945006263.db2.gz ZPVQEHNHHJIKFA-LIRRHRJNSA-N 2 1 357.885 3.680 20 0 FHADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1OC(F)F ZINC000414950293 945011125 /nfs/dbraw/zinc/01/11/25/945011125.db2.gz OJABWWALYQSSJT-MFKMUULPSA-N 2 1 363.246 3.589 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCCC(=O)N3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048170 945397537 /nfs/dbraw/zinc/39/75/37/945397537.db2.gz UXBHMMIOEPABDM-MHXAIHSWSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048170 945397547 /nfs/dbraw/zinc/39/75/47/945397547.db2.gz UXBHMMIOEPABDM-MHXAIHSWSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCCC(=O)N3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048170 945397554 /nfs/dbraw/zinc/39/75/54/945397554.db2.gz UXBHMMIOEPABDM-MHXAIHSWSA-N 2 1 369.553 3.563 20 0 FHADMP CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473879498 945572869 /nfs/dbraw/zinc/57/28/69/945572869.db2.gz URBJOUYRIGDGGV-FPOVZHCZSA-N 2 1 374.573 3.585 20 0 FHADMP CC[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167970393 945776293 /nfs/dbraw/zinc/77/62/93/945776293.db2.gz JFVCUQDYKWKDPG-MVCQKVDPSA-N 2 1 365.562 3.675 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000651731440 945797333 /nfs/dbraw/zinc/79/73/33/945797333.db2.gz ONLVYTRXLHPBIB-UHFFFAOYSA-N 2 1 352.526 3.986 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1csc(C(F)(F)F)c1 ZINC000925092674 945810913 /nfs/dbraw/zinc/81/09/13/945810913.db2.gz CCSKWLSNXZGVQM-CHWSQXEVSA-N 2 1 362.461 3.918 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@@H]1c1cccs1 ZINC000440821517 945923349 /nfs/dbraw/zinc/92/33/49/945923349.db2.gz NMOYBEJSVQCGNJ-IAQYHMDHSA-N 2 1 358.433 3.663 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@@H]1c1cccs1 ZINC000440821517 945923355 /nfs/dbraw/zinc/92/33/55/945923355.db2.gz NMOYBEJSVQCGNJ-IAQYHMDHSA-N 2 1 358.433 3.663 20 0 FHADMP CCc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)c2ccccc2[nH+]1 ZINC000301783022 945963449 /nfs/dbraw/zinc/96/34/49/945963449.db2.gz JSDBHZJUVKXUTB-UHFFFAOYSA-N 2 1 350.466 3.724 20 0 FHADMP CC[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000522848907 945989012 /nfs/dbraw/zinc/98/90/12/945989012.db2.gz XLTXUEHVFJYOIL-RBUKOAKNSA-N 2 1 365.949 3.714 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594521082 946074376 /nfs/dbraw/zinc/07/43/76/946074376.db2.gz LMFAYLDPJITEIN-PKRLLGJHSA-N 2 1 364.574 3.841 20 0 FHADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806735 946162141 /nfs/dbraw/zinc/16/21/41/946162141.db2.gz CEYWQTBUNSUUCF-UHFFFAOYSA-N 2 1 357.542 3.776 20 0 FHADMP Cc1sc2nc([C@@H](C)[NH+]3CCC(C[NH+]4CCCC4)CC3)nc(N)c2c1C ZINC000103143654 946249375 /nfs/dbraw/zinc/24/93/75/946249375.db2.gz IKNLTOBGSPOLDE-CQSZACIVSA-N 2 1 373.570 3.759 20 0 FHADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000302644572 946268743 /nfs/dbraw/zinc/26/87/43/946268743.db2.gz IYZPRYGUGKZOPG-KRWDZBQOSA-N 2 1 354.542 3.791 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042908639 946333910 /nfs/dbraw/zinc/33/39/10/946333910.db2.gz NXEIAZSDSVJPND-UHFFFAOYSA-N 2 1 374.573 3.635 20 0 FHADMP CCC(CC)[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000310536511 946336742 /nfs/dbraw/zinc/33/67/42/946336742.db2.gz PPXZCBLGQCFTPI-ABHNRTSZSA-N 2 1 355.567 3.778 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475130366 946435931 /nfs/dbraw/zinc/43/59/31/946435931.db2.gz VYMYYQCVRJVEHT-UHFFFAOYSA-N 2 1 358.917 3.894 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475494239 946443444 /nfs/dbraw/zinc/44/34/44/946443444.db2.gz IRRUTZCMHMFRMM-NPPFBWRTSA-N 2 1 369.553 3.550 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1(C)C ZINC000441350630 946502843 /nfs/dbraw/zinc/50/28/43/946502843.db2.gz BYGGCPAGSUWYBL-UHFFFAOYSA-N 2 1 371.500 3.734 20 0 FHADMP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168057768 946589819 /nfs/dbraw/zinc/58/98/19/946589819.db2.gz NSHRARXDXCAOPM-XOPFUANDSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168057768 946589828 /nfs/dbraw/zinc/58/98/28/946589828.db2.gz NSHRARXDXCAOPM-XOPFUANDSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168057768 946589841 /nfs/dbraw/zinc/58/98/41/946589841.db2.gz NSHRARXDXCAOPM-XOPFUANDSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168057768 946589847 /nfs/dbraw/zinc/58/98/47/946589847.db2.gz NSHRARXDXCAOPM-XOPFUANDSA-N 2 1 358.526 3.702 20 0 FHADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000192745273 946633931 /nfs/dbraw/zinc/63/39/31/946633931.db2.gz MIULSDVVGRMIFD-KBRMVUAJSA-N 2 1 354.469 3.644 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000536266523 946660776 /nfs/dbraw/zinc/66/07/76/946660776.db2.gz FEQFLCQUADHVFC-BDTNDASRSA-N 2 1 365.521 3.631 20 0 FHADMP Cc1ccncc1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475573177 946705371 /nfs/dbraw/zinc/70/53/71/946705371.db2.gz KNIPATJXPLLPNC-UHFFFAOYSA-N 2 1 352.526 3.552 20 0 FHADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000894982707 946759431 /nfs/dbraw/zinc/75/94/31/946759431.db2.gz HQBHQXAPGSFDTN-UHFFFAOYSA-N 2 1 368.403 3.691 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348047 946879110 /nfs/dbraw/zinc/87/91/10/946879110.db2.gz SMWRPLQQEFJGNI-GRZALLJUSA-N 2 1 372.431 3.865 20 0 FHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350447 946895121 /nfs/dbraw/zinc/89/51/21/946895121.db2.gz ZKZKKCSTUSRRJX-HUHSQHJXSA-N 2 1 367.331 3.728 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H](C)SC3)CC2)cs1 ZINC000655710759 946925561 /nfs/dbraw/zinc/92/55/61/946925561.db2.gz FAGDVSHFPSSFSJ-GDBMZVCRSA-N 2 1 353.601 3.791 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360707 946928335 /nfs/dbraw/zinc/92/83/35/946928335.db2.gz OGUJMXUNENAKCN-XYPHTWIQSA-N 2 1 373.324 3.733 20 0 FHADMP Clc1ccccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995714 946981578 /nfs/dbraw/zinc/98/15/78/946981578.db2.gz OUDQTIOVWLJZKR-WCRBZPEASA-N 2 1 373.972 3.863 20 0 FHADMP Cc1noc([C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064608 947065474 /nfs/dbraw/zinc/06/54/74/947065474.db2.gz QRIFZMCXXRUBGW-JSJNYSNDSA-N 2 1 354.498 3.609 20 0 FHADMP Cc1noc([C@H]2CC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064608 947065484 /nfs/dbraw/zinc/06/54/84/947065484.db2.gz QRIFZMCXXRUBGW-JSJNYSNDSA-N 2 1 354.498 3.609 20 0 FHADMP Cc1noc([C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064608 947065494 /nfs/dbraw/zinc/06/54/94/947065494.db2.gz QRIFZMCXXRUBGW-JSJNYSNDSA-N 2 1 354.498 3.609 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995896 947065475 /nfs/dbraw/zinc/06/54/75/947065475.db2.gz UWHYIHDOGOUOBT-ZYGDZFMBSA-N 2 1 353.554 3.598 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995896 947065487 /nfs/dbraw/zinc/06/54/87/947065487.db2.gz UWHYIHDOGOUOBT-ZYGDZFMBSA-N 2 1 353.554 3.598 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995896 947065498 /nfs/dbraw/zinc/06/54/98/947065498.db2.gz UWHYIHDOGOUOBT-ZYGDZFMBSA-N 2 1 353.554 3.598 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650233 947101983 /nfs/dbraw/zinc/10/19/83/947101983.db2.gz DDJJQAIXLQVINN-MOPGFXCFSA-N 2 1 359.558 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650233 947101990 /nfs/dbraw/zinc/10/19/90/947101990.db2.gz DDJJQAIXLQVINN-MOPGFXCFSA-N 2 1 359.558 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650233 947102008 /nfs/dbraw/zinc/10/20/08/947102008.db2.gz DDJJQAIXLQVINN-MOPGFXCFSA-N 2 1 359.558 3.767 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192934043 947115098 /nfs/dbraw/zinc/11/50/98/947115098.db2.gz GDEQZKMRGZNJJH-GOSISDBHSA-N 2 1 358.555 3.601 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192934043 947115108 /nfs/dbraw/zinc/11/51/08/947115108.db2.gz GDEQZKMRGZNJJH-GOSISDBHSA-N 2 1 358.555 3.601 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192932187 947115311 /nfs/dbraw/zinc/11/53/11/947115311.db2.gz NIELWHUDXUNVAO-GOSISDBHSA-N 2 1 350.466 3.590 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192935074 947116380 /nfs/dbraw/zinc/11/63/80/947116380.db2.gz CLAUGCXYCWCWNN-FXAWDEMLSA-N 2 1 351.494 3.818 20 0 FHADMP C[C@@H]1CC([N@H+]2CC[C@@H](Oc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065674 947178510 /nfs/dbraw/zinc/17/85/10/947178510.db2.gz XLCIHCBXVNBMTD-DNVFCKCGSA-N 2 1 365.521 3.976 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[NH2+]C(C)(C)C)c2c1C ZINC000301151984 947204197 /nfs/dbraw/zinc/20/41/97/947204197.db2.gz KTPGYUPUJFBORY-UHFFFAOYSA-N 2 1 361.559 3.704 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](C)[N@H+](C)C3CC3)c2c1C ZINC000301156396 947207352 /nfs/dbraw/zinc/20/73/52/947207352.db2.gz NIZCQFBZMAKSLN-ZDUSSCGKSA-N 2 1 373.570 3.799 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](C)[N@@H+](C)C3CC3)c2c1C ZINC000301156396 947207360 /nfs/dbraw/zinc/20/73/60/947207360.db2.gz NIZCQFBZMAKSLN-ZDUSSCGKSA-N 2 1 373.570 3.799 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000245641659 947218485 /nfs/dbraw/zinc/21/84/85/947218485.db2.gz DPMWDPRWBKRQSZ-XJKSGUPXSA-N 2 1 355.320 3.625 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000245641659 947218494 /nfs/dbraw/zinc/21/84/94/947218494.db2.gz DPMWDPRWBKRQSZ-XJKSGUPXSA-N 2 1 355.320 3.625 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000245641659 947218502 /nfs/dbraw/zinc/21/85/02/947218502.db2.gz DPMWDPRWBKRQSZ-XJKSGUPXSA-N 2 1 355.320 3.625 20 0 FHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000301418342 947335063 /nfs/dbraw/zinc/33/50/63/947335063.db2.gz GVSQCUQVENHGOM-UHFFFAOYSA-N 2 1 359.901 3.969 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652568334 947367713 /nfs/dbraw/zinc/36/77/13/947367713.db2.gz AAQVLJDKRXSBIK-UHFFFAOYSA-N 2 1 369.513 3.566 20 0 FHADMP CC1(C)C[N@@H+](CCC2(O)CCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663217212 947434821 /nfs/dbraw/zinc/43/48/21/947434821.db2.gz GLCYAGMCIHANMW-NRFANRHFSA-N 2 1 356.554 3.914 20 0 FHADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441449997 947490521 /nfs/dbraw/zinc/49/05/21/947490521.db2.gz KGBORSMSCQDQLF-INIZCTEOSA-N 2 1 356.432 3.892 20 0 FHADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441449997 947490530 /nfs/dbraw/zinc/49/05/30/947490530.db2.gz KGBORSMSCQDQLF-INIZCTEOSA-N 2 1 356.432 3.892 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189349387 947696546 /nfs/dbraw/zinc/69/65/46/947696546.db2.gz MVCIMMHLXKGZGV-LJQANCHMSA-N 2 1 358.505 3.528 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189349387 947696559 /nfs/dbraw/zinc/69/65/59/947696559.db2.gz MVCIMMHLXKGZGV-LJQANCHMSA-N 2 1 358.505 3.528 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286949 947709804 /nfs/dbraw/zinc/70/98/04/947709804.db2.gz URDNNWXVNCLWDK-YXJHDRRASA-N 2 1 354.947 3.650 20 0 FHADMP Clc1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662291929 947713550 /nfs/dbraw/zinc/71/35/50/947713550.db2.gz ZNYOMAFCRMBPTJ-INIZCTEOSA-N 2 1 360.889 3.602 20 0 FHADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662290706 947713890 /nfs/dbraw/zinc/71/38/90/947713890.db2.gz IKWFADHAUCKPCE-LJQANCHMSA-N 2 1 354.498 3.511 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189397897 947725211 /nfs/dbraw/zinc/72/52/11/947725211.db2.gz VKGOPUCWKQWJTA-XLIONFOSSA-N 2 1 370.516 3.813 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189397897 947725220 /nfs/dbraw/zinc/72/52/20/947725220.db2.gz VKGOPUCWKQWJTA-XLIONFOSSA-N 2 1 370.516 3.813 20 0 FHADMP COCCC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000189398039 947725329 /nfs/dbraw/zinc/72/53/29/947725329.db2.gz DLHWSCMSANRTNO-JOCHJYFZSA-N 2 1 374.569 3.720 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@@H]1CCC[NH3+] ZINC000662316420 947752385 /nfs/dbraw/zinc/75/23/85/947752385.db2.gz WMTQIVQKLULOPE-CXAGYDPISA-N 2 1 355.885 3.647 20 0 FHADMP CCCc1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cs1 ZINC000662327734 947758575 /nfs/dbraw/zinc/75/85/75/947758575.db2.gz UKCIZLDKMZXVRC-UHFFFAOYSA-N 2 1 373.570 3.665 20 0 FHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662416772 947787423 /nfs/dbraw/zinc/78/74/23/947787423.db2.gz AYCKLYOLHUCNFN-KRWDZBQOSA-N 2 1 372.340 3.635 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344077 947806888 /nfs/dbraw/zinc/80/68/88/947806888.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344077 947806904 /nfs/dbraw/zinc/80/69/04/947806904.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344077 947806913 /nfs/dbraw/zinc/80/69/13/947806913.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344077 947806918 /nfs/dbraw/zinc/80/69/18/947806918.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344077 947806920 /nfs/dbraw/zinc/80/69/20/947806920.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344077 947806938 /nfs/dbraw/zinc/80/69/38/947806938.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344077 947806949 /nfs/dbraw/zinc/80/69/49/947806949.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344077 947806960 /nfs/dbraw/zinc/80/69/60/947806960.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344077 947806966 /nfs/dbraw/zinc/80/69/66/947806966.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 3 1 355.570 3.751 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347280 947818556 /nfs/dbraw/zinc/81/85/56/947818556.db2.gz ITJKURFIMAYXLI-LJQANCHMSA-N 2 1 370.516 3.840 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347280 947818566 /nfs/dbraw/zinc/81/85/66/947818566.db2.gz ITJKURFIMAYXLI-LJQANCHMSA-N 2 1 370.516 3.840 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347645 947820523 /nfs/dbraw/zinc/82/05/23/947820523.db2.gz REWJDVAGFGTFDA-KRWDZBQOSA-N 2 1 368.468 3.898 20 0 FHADMP Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347527 947821061 /nfs/dbraw/zinc/82/10/61/947821061.db2.gz NFPJWMXBDNDDJC-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347527 947821051 /nfs/dbraw/zinc/82/10/51/947821051.db2.gz NFPJWMXBDNDDJC-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662502347 947875837 /nfs/dbraw/zinc/87/58/37/947875837.db2.gz JYADZIBJNUQCQQ-FDFHNCONSA-N 2 1 371.569 3.511 20 0 FHADMP Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000662517543 947889623 /nfs/dbraw/zinc/88/96/23/947889623.db2.gz JAUPHAZIWWNEBB-ZIAGYGMSSA-N 2 1 367.440 3.789 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1)C(C)C ZINC000662589613 947916931 /nfs/dbraw/zinc/91/69/31/947916931.db2.gz KSOGPTJRDHXZLH-QFIPXVFZSA-N 2 1 371.569 3.769 20 0 FHADMP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925770629 947941241 /nfs/dbraw/zinc/94/12/41/947941241.db2.gz JQCHPWDLCNIDFT-KRXUUXHPSA-N 2 1 352.453 3.858 20 0 FHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)CC1 ZINC000662675190 947976410 /nfs/dbraw/zinc/97/64/10/947976410.db2.gz KILSSJPSAJDGGX-HXUWFJFHSA-N 2 1 373.447 3.835 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000549612267 948013447 /nfs/dbraw/zinc/01/34/47/948013447.db2.gz ULDPOHQBJCOVGA-WMQCIHAUSA-N 2 1 358.526 3.878 20 0 FHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663463654 948049517 /nfs/dbraw/zinc/04/95/17/948049517.db2.gz ASZFHNBNVBCFEL-LMMKCTJWSA-N 2 1 360.542 3.907 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469284 948062312 /nfs/dbraw/zinc/06/23/12/948062312.db2.gz PMCAOHIRVSFWFP-WBVHZDCISA-N 2 1 363.933 3.769 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663470625 948066168 /nfs/dbraw/zinc/06/61/68/948066168.db2.gz VQNXCQRDRBSEKJ-ZWKOTPCHSA-N 2 1 367.537 3.745 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821148 948079362 /nfs/dbraw/zinc/07/93/62/948079362.db2.gz BVLDFHMROGMSIT-XLIONFOSSA-N 2 1 363.571 3.687 20 0 FHADMP CSC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925786618 948168688 /nfs/dbraw/zinc/16/86/88/948168688.db2.gz XECBGRNJHOJONP-ZIAGYGMSSA-N 2 1 368.415 3.944 20 0 FHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512008039 948174608 /nfs/dbraw/zinc/17/46/08/948174608.db2.gz LJTAJXJAQRHFNC-AEFFLSMTSA-N 2 1 366.431 3.854 20 0 FHADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000520510138 948192906 /nfs/dbraw/zinc/19/29/06/948192906.db2.gz DXPSMGHLYROPLC-NRFANRHFSA-N 2 1 359.558 3.654 20 0 FHADMP COc1cccc(OC)c1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512017334 948199743 /nfs/dbraw/zinc/19/97/43/948199743.db2.gz VGGNLAJIIRMZRJ-FOIQADDNSA-N 2 1 360.523 3.938 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000512023385 948212068 /nfs/dbraw/zinc/21/20/68/948212068.db2.gz FWIDVDXZQGBNJI-IBGZPJMESA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1)C1CC1 ZINC000512023385 948212074 /nfs/dbraw/zinc/21/20/74/948212074.db2.gz FWIDVDXZQGBNJI-IBGZPJMESA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1)C1CC1 ZINC000512023385 948212075 /nfs/dbraw/zinc/21/20/75/948212075.db2.gz FWIDVDXZQGBNJI-IBGZPJMESA-N 2 1 357.542 3.521 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144083 948213556 /nfs/dbraw/zinc/21/35/56/948213556.db2.gz AXELSSGYJDIYMK-RTBURBONSA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144083 948213558 /nfs/dbraw/zinc/21/35/58/948213558.db2.gz AXELSSGYJDIYMK-RTBURBONSA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144083 948213561 /nfs/dbraw/zinc/21/35/61/948213561.db2.gz AXELSSGYJDIYMK-RTBURBONSA-N 2 1 362.477 3.567 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000432362634 948217109 /nfs/dbraw/zinc/21/71/09/948217109.db2.gz NPVCPDAOQZJVNZ-CYBMUJFWSA-N 2 1 364.839 3.949 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000432362634 948217113 /nfs/dbraw/zinc/21/71/13/948217113.db2.gz NPVCPDAOQZJVNZ-CYBMUJFWSA-N 2 1 364.839 3.949 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002470 948239379 /nfs/dbraw/zinc/23/93/79/948239379.db2.gz TVLPMTNPTXKDLH-HPJCCJEISA-N 2 1 367.581 3.987 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002470 948239389 /nfs/dbraw/zinc/23/93/89/948239389.db2.gz TVLPMTNPTXKDLH-HPJCCJEISA-N 2 1 367.581 3.987 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002470 948239397 /nfs/dbraw/zinc/23/93/97/948239397.db2.gz TVLPMTNPTXKDLH-HPJCCJEISA-N 2 1 367.581 3.987 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001167834065 948246350 /nfs/dbraw/zinc/24/63/50/948246350.db2.gz HDTWOCAVKCGSMU-RCCFBDPRSA-N 2 1 355.567 3.875 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3F)C2)CC1 ZINC000507777068 948265376 /nfs/dbraw/zinc/26/53/76/948265376.db2.gz OWABPZWMWNRDOT-QFIPXVFZSA-N 2 1 367.512 3.705 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncc(CC)s2)CC1 ZINC000152331119 948267328 /nfs/dbraw/zinc/26/73/28/948267328.db2.gz CACRTIMLLZFLHX-UHFFFAOYSA-N 2 1 358.555 3.527 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045627 948296315 /nfs/dbraw/zinc/29/63/15/948296315.db2.gz NUMPEZXBHRXQRQ-MJGOQNOKSA-N 2 1 372.582 3.595 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166694760 948335771 /nfs/dbraw/zinc/33/57/71/948335771.db2.gz MKFNHFWRIZEUSZ-NHCUHLMSSA-N 3 1 353.510 3.628 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166694760 948335778 /nfs/dbraw/zinc/33/57/78/948335778.db2.gz MKFNHFWRIZEUSZ-NHCUHLMSSA-N 3 1 353.510 3.628 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166694760 948335786 /nfs/dbraw/zinc/33/57/86/948335786.db2.gz MKFNHFWRIZEUSZ-NHCUHLMSSA-N 3 1 353.510 3.628 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407188 948346207 /nfs/dbraw/zinc/34/62/07/948346207.db2.gz LBGGBUSQOSFLRE-CABCVRRESA-N 2 1 360.420 3.737 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407188 948346216 /nfs/dbraw/zinc/34/62/16/948346216.db2.gz LBGGBUSQOSFLRE-CABCVRRESA-N 2 1 360.420 3.737 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405037 948348180 /nfs/dbraw/zinc/34/81/80/948348180.db2.gz GNGNXRCYINJQOV-HUUCEWRRSA-N 2 1 360.420 3.737 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001167841375 948360869 /nfs/dbraw/zinc/36/08/69/948360869.db2.gz LWDRFDOHKTWGOK-GBESFXJTSA-N 2 1 367.578 3.971 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000278984779 948366237 /nfs/dbraw/zinc/36/62/37/948366237.db2.gz PIQMPEFSRWKIFY-KGLIPLIRSA-N 2 1 353.388 3.737 20 0 FHADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422154 948385521 /nfs/dbraw/zinc/38/55/21/948385521.db2.gz SCPALUASJOSDFJ-UYAOXDASSA-N 2 1 350.572 3.894 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001167842854 948396090 /nfs/dbraw/zinc/39/60/90/948396090.db2.gz ZHLXYYRSHBNPGS-AWEZNQCLSA-N 2 1 368.363 3.900 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000473212610 948403452 /nfs/dbraw/zinc/40/34/52/948403452.db2.gz HSQHWSKFDMWLTP-AZUAARDMSA-N 2 1 351.579 3.656 20 0 FHADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000152374980 948438111 /nfs/dbraw/zinc/43/81/11/948438111.db2.gz UTMNUSLJTYVRIK-CYBMUJFWSA-N 2 1 358.313 3.596 20 0 FHADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000152374980 948438117 /nfs/dbraw/zinc/43/81/17/948438117.db2.gz UTMNUSLJTYVRIK-CYBMUJFWSA-N 2 1 358.313 3.596 20 0 FHADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152374980 948438127 /nfs/dbraw/zinc/43/81/27/948438127.db2.gz UTMNUSLJTYVRIK-CYBMUJFWSA-N 2 1 358.313 3.596 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(F)cc43)c2)CCO1 ZINC000247201903 948666229 /nfs/dbraw/zinc/66/62/29/948666229.db2.gz WILYAGWRHGNCDP-AOMKIAJQSA-N 2 1 354.469 3.824 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(F)cc43)c2)CCO1 ZINC000247201903 948666234 /nfs/dbraw/zinc/66/62/34/948666234.db2.gz WILYAGWRHGNCDP-AOMKIAJQSA-N 2 1 354.469 3.824 20 0 FHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168007985 948691478 /nfs/dbraw/zinc/69/14/78/948691478.db2.gz VXYUPBPVHDMHMZ-MRCBEBMISA-N 2 1 371.544 3.910 20 0 FHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168007985 948691479 /nfs/dbraw/zinc/69/14/79/948691479.db2.gz VXYUPBPVHDMHMZ-MRCBEBMISA-N 2 1 371.544 3.910 20 0 FHADMP Cc1noc(C)c1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484969 948731303 /nfs/dbraw/zinc/73/13/03/948731303.db2.gz HGRPJIWAMLFYOA-UHFFFAOYSA-N 2 1 353.510 3.822 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C[C@H](C)O1 ZINC000512188281 948741533 /nfs/dbraw/zinc/74/15/33/948741533.db2.gz XUMMJPJCNIOCLB-KDURUIRLSA-N 2 1 372.553 3.797 20 0 FHADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)on1 ZINC000602515221 567986505 /nfs/dbraw/zinc/98/65/05/567986505.db2.gz OPQPMGNBUUNXKV-MRXNPFEDSA-N 2 1 371.481 3.516 20 0 FHADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)on1 ZINC000602515221 567986506 /nfs/dbraw/zinc/98/65/06/567986506.db2.gz OPQPMGNBUUNXKV-MRXNPFEDSA-N 2 1 371.481 3.516 20 0 FHADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000221923493 567989827 /nfs/dbraw/zinc/98/98/27/567989827.db2.gz MDYQNDWSQRSRBQ-INIZCTEOSA-N 2 1 355.320 3.983 20 0 FHADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000221923493 567989828 /nfs/dbraw/zinc/98/98/28/567989828.db2.gz MDYQNDWSQRSRBQ-INIZCTEOSA-N 2 1 355.320 3.983 20 0 FHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000221923493 567989829 /nfs/dbraw/zinc/98/98/29/567989829.db2.gz MDYQNDWSQRSRBQ-INIZCTEOSA-N 2 1 355.320 3.983 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603380998 568094056 /nfs/dbraw/zinc/09/40/56/568094056.db2.gz FHIGJIKFVFKLLM-SFHVURJKSA-N 2 1 365.525 3.921 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603380998 568094057 /nfs/dbraw/zinc/09/40/57/568094057.db2.gz FHIGJIKFVFKLLM-SFHVURJKSA-N 2 1 365.525 3.921 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000604011214 568198413 /nfs/dbraw/zinc/19/84/13/568198413.db2.gz GZOLBPQWIRPMAO-LJQANCHMSA-N 2 1 369.509 3.516 20 0 FHADMP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120003 568224754 /nfs/dbraw/zinc/22/47/54/568224754.db2.gz OKRCFQUIYWGGOW-PKTZIBPZSA-N 2 1 364.533 3.767 20 0 FHADMP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120003 568224755 /nfs/dbraw/zinc/22/47/55/568224755.db2.gz OKRCFQUIYWGGOW-PKTZIBPZSA-N 2 1 364.533 3.767 20 0 FHADMP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563120087 568224880 /nfs/dbraw/zinc/22/48/80/568224880.db2.gz QXONMVQBMBTDLY-IBGZPJMESA-N 2 1 360.567 3.685 20 0 FHADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563120087 568224881 /nfs/dbraw/zinc/22/48/81/568224881.db2.gz QXONMVQBMBTDLY-IBGZPJMESA-N 2 1 360.567 3.685 20 0 FHADMP Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000643251126 568317893 /nfs/dbraw/zinc/31/78/93/568317893.db2.gz PBRKKWAIDIROMA-QFIPXVFZSA-N 2 1 352.478 3.562 20 0 FHADMP Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000643251126 568317894 /nfs/dbraw/zinc/31/78/94/568317894.db2.gz PBRKKWAIDIROMA-QFIPXVFZSA-N 2 1 352.478 3.562 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@]2(CCCOC2)C1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593751 568334202 /nfs/dbraw/zinc/33/42/02/568334202.db2.gz BOLXMWLSLLICTK-BHIFYINESA-N 2 1 364.574 3.550 20 0 FHADMP Brc1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390901145 568521081 /nfs/dbraw/zinc/52/10/81/568521081.db2.gz NXLONXCOINJWOB-ALOPSCKCSA-N 2 1 372.310 3.874 20 0 FHADMP Brc1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390901145 568521083 /nfs/dbraw/zinc/52/10/83/568521083.db2.gz NXLONXCOINJWOB-ALOPSCKCSA-N 2 1 372.310 3.874 20 0 FHADMP CC[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000606182856 568697533 /nfs/dbraw/zinc/69/75/33/568697533.db2.gz ZAWCTCVGKORVJC-GOSISDBHSA-N 2 1 366.509 3.664 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268261 599319726 /nfs/dbraw/zinc/31/97/26/599319726.db2.gz RSNXEZLBQICJBR-KZNAEPCWSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736268261 599319728 /nfs/dbraw/zinc/31/97/28/599319728.db2.gz RSNXEZLBQICJBR-KZNAEPCWSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736268261 599319732 /nfs/dbraw/zinc/31/97/32/599319732.db2.gz RSNXEZLBQICJBR-KZNAEPCWSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820697932 607014078 /nfs/dbraw/zinc/01/40/78/607014078.db2.gz OEAGPGXBFLGXOB-GQIGUUNPSA-N 2 1 368.529 3.560 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3c(Cl)cccc3n2)c2c1CC[NH2+]C2 ZINC001164682626 719619788 /nfs/dbraw/zinc/61/97/88/719619788.db2.gz OYABUCLSJGXYBW-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3c(Cl)cccc3n2)c2c1CC[NH2+]C2 ZINC001164682626 719619795 /nfs/dbraw/zinc/61/97/95/719619795.db2.gz OYABUCLSJGXYBW-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164904906 721704422 /nfs/dbraw/zinc/70/44/22/721704422.db2.gz FKYOAFNYTCZYGE-HXUWFJFHSA-N 2 1 372.463 3.831 20 0 FHADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164904906 721704430 /nfs/dbraw/zinc/70/44/30/721704430.db2.gz FKYOAFNYTCZYGE-HXUWFJFHSA-N 2 1 372.463 3.831 20 0 FHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@@H]21 ZINC001165028093 721808912 /nfs/dbraw/zinc/80/89/12/721808912.db2.gz YHURDKBUEVKQJZ-KAGYGMCKSA-N 2 1 362.521 3.702 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@@H]21 ZINC001165028093 721808913 /nfs/dbraw/zinc/80/89/13/721808913.db2.gz YHURDKBUEVKQJZ-KAGYGMCKSA-N 2 1 362.521 3.702 20 0 FHADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091414117 936321414 /nfs/dbraw/zinc/32/14/14/936321414.db2.gz ZHLCRFWEINRCKI-YKCBXCCJSA-N 2 1 365.924 3.831 20 0 FHADMP C[C@@H](O)C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000121518767 936328669 /nfs/dbraw/zinc/32/86/69/936328669.db2.gz QPKOPNQDJJTVEM-OFNKIYASSA-N 2 1 366.549 3.838 20 0 FHADMP Cc1nc2ccccc2nc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000582991242 936352832 /nfs/dbraw/zinc/35/28/32/936352832.db2.gz FZCDXMBOLBLUOZ-UHFFFAOYSA-N 2 1 369.472 3.809 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](CC(C)C)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000162227756 936364329 /nfs/dbraw/zinc/36/43/29/936364329.db2.gz UXGLCUXBTSHALA-FQEVSTJZSA-N 2 1 353.514 3.834 20 0 FHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000583135047 937157097 /nfs/dbraw/zinc/15/70/97/937157097.db2.gz JMIHWKQVNLEDME-ZWKOTPCHSA-N 2 1 358.448 3.899 20 0 FHADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138579 937159682 /nfs/dbraw/zinc/15/96/82/937159682.db2.gz APQIFQGOQPJDFQ-OAHLLOKOSA-N 2 1 371.447 3.602 20 0 FHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000150775650 937161828 /nfs/dbraw/zinc/16/18/28/937161828.db2.gz UPHMHOOYLCBDLZ-AWEZNQCLSA-N 2 1 370.324 3.740 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546290 927426626 /nfs/dbraw/zinc/42/66/26/927426626.db2.gz LYRKJXQDZQTRGA-GDBMZVCRSA-N 2 1 365.315 3.927 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150778725 937165224 /nfs/dbraw/zinc/16/52/24/937165224.db2.gz DYGORZGLSQJCMP-IBGZPJMESA-N 2 1 360.505 3.919 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150778725 937165227 /nfs/dbraw/zinc/16/52/27/937165227.db2.gz DYGORZGLSQJCMP-IBGZPJMESA-N 2 1 360.505 3.919 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3C(C)(C)CC)CC2)CC1 ZINC000654939141 927629431 /nfs/dbraw/zinc/62/94/31/927629431.db2.gz WHWLTDYHOKCUFR-HXUWFJFHSA-N 2 1 363.590 3.610 20 0 FHADMP CCc1cc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)ccc1C ZINC000654987843 927750562 /nfs/dbraw/zinc/75/05/62/927750562.db2.gz UXDOILFCEAOZIH-UHFFFAOYSA-N 2 1 357.542 3.692 20 0 FHADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591497 927966141 /nfs/dbraw/zinc/96/61/41/927966141.db2.gz NHCGRHMKTYPHDM-LPHOPBHVSA-N 2 1 369.475 3.521 20 0 FHADMP CC(C)[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606002 928240412 /nfs/dbraw/zinc/24/04/12/928240412.db2.gz DAMFBUCCMVIGOY-RBUKOAKNSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606002 928240416 /nfs/dbraw/zinc/24/04/16/928240416.db2.gz DAMFBUCCMVIGOY-RBUKOAKNSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606002 928240422 /nfs/dbraw/zinc/24/04/22/928240422.db2.gz DAMFBUCCMVIGOY-RBUKOAKNSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606002 928240427 /nfs/dbraw/zinc/24/04/27/928240427.db2.gz DAMFBUCCMVIGOY-RBUKOAKNSA-N 2 1 367.578 3.828 20 0 FHADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000583218324 937246344 /nfs/dbraw/zinc/24/63/44/937246344.db2.gz UXQPPQOINOJHIK-GUDVDZBRSA-N 2 1 373.447 3.683 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccncc1 ZINC000647281505 937270416 /nfs/dbraw/zinc/27/04/16/937270416.db2.gz SKPDUOKVLAACPA-QFIPXVFZSA-N 2 1 353.510 3.791 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154467296 928845353 /nfs/dbraw/zinc/84/53/53/928845353.db2.gz MTDAIOYTPITXGE-LJQANCHMSA-N 2 1 365.949 3.561 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000533447275 928906080 /nfs/dbraw/zinc/90/60/80/928906080.db2.gz BENXUQJRKZGRLW-PKOBYXMFSA-N 2 1 353.510 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000533447275 928906088 /nfs/dbraw/zinc/90/60/88/928906088.db2.gz BENXUQJRKZGRLW-PKOBYXMFSA-N 2 1 353.510 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000533447275 928906096 /nfs/dbraw/zinc/90/60/96/928906096.db2.gz BENXUQJRKZGRLW-PKOBYXMFSA-N 2 1 353.510 3.973 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000154847353 929365465 /nfs/dbraw/zinc/36/54/65/929365465.db2.gz MAIYWNFSSACUNF-QGZVFWFLSA-N 2 1 374.550 3.781 20 0 FHADMP Cc1cccn2cc(C[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc12 ZINC000180176068 929400197 /nfs/dbraw/zinc/40/01/97/929400197.db2.gz ZHDFXZKMFAOIAP-ILWGZMRPSA-N 2 1 360.505 3.643 20 0 FHADMP Cc1cccn2cc(C[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc12 ZINC000180176068 929400202 /nfs/dbraw/zinc/40/02/02/929400202.db2.gz ZHDFXZKMFAOIAP-ILWGZMRPSA-N 2 1 360.505 3.643 20 0 FHADMP COc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657750138 937339721 /nfs/dbraw/zinc/33/97/21/937339721.db2.gz BAAGMUFBEFCXHA-OAQYLSRUSA-N 2 1 366.505 3.705 20 0 FHADMP COc1cccc(OCC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001167310738 929639324 /nfs/dbraw/zinc/63/93/24/929639324.db2.gz YMRGYDYEMRXKLA-UHFFFAOYSA-N 2 1 368.521 3.918 20 0 FHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752243 937350279 /nfs/dbraw/zinc/35/02/79/937350279.db2.gz OCDMLDMINZTRRE-WTQUMQLASA-N 2 1 368.443 3.952 20 0 FHADMP Cc1cccn2cc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc12 ZINC000683690846 929807262 /nfs/dbraw/zinc/80/72/62/929807262.db2.gz QQEJZHUZOOYCDV-WBDAEOGXSA-N 2 1 374.532 3.970 20 0 FHADMP C[N@H+]1Cc2ccccc2[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692370 929811273 /nfs/dbraw/zinc/81/12/73/929811273.db2.gz PPWDIUCHOHHUDO-KHUIQGCPSA-N 2 1 361.533 3.958 20 0 FHADMP C[N@@H+]1Cc2ccccc2[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683692370 929811276 /nfs/dbraw/zinc/81/12/76/929811276.db2.gz PPWDIUCHOHHUDO-KHUIQGCPSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692370 929811280 /nfs/dbraw/zinc/81/12/80/929811280.db2.gz PPWDIUCHOHHUDO-KHUIQGCPSA-N 2 1 361.533 3.958 20 0 FHADMP C[NH+]1Cc2ccccc2[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692370 929811284 /nfs/dbraw/zinc/81/12/84/929811284.db2.gz PPWDIUCHOHHUDO-KHUIQGCPSA-N 2 1 361.533 3.958 20 0 FHADMP CCC[NH+]1CCC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000122713806 929840298 /nfs/dbraw/zinc/84/02/98/929840298.db2.gz ZXMOXSYPSVCIGF-UHFFFAOYSA-N 3 1 361.549 3.544 20 0 FHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122938024 929863551 /nfs/dbraw/zinc/86/35/51/929863551.db2.gz ZUCLETHJLSZPHM-QGZVFWFLSA-N 2 1 356.485 3.759 20 0 FHADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583354000 937376349 /nfs/dbraw/zinc/37/63/49/937376349.db2.gz RZKXFJMHYOOBNJ-HKUYNNGSSA-N 2 1 374.573 3.730 20 0 FHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583354000 937376351 /nfs/dbraw/zinc/37/63/51/937376351.db2.gz RZKXFJMHYOOBNJ-HKUYNNGSSA-N 2 1 374.573 3.730 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000160354408 930196996 /nfs/dbraw/zinc/19/69/96/930196996.db2.gz ACWUADZIFAIWRK-KRWDZBQOSA-N 2 1 372.944 3.723 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000379631837 930483326 /nfs/dbraw/zinc/48/33/26/930483326.db2.gz MEWIFLQWCOCIQL-QFBILLFUSA-N 2 1 370.468 3.755 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000379631837 930483330 /nfs/dbraw/zinc/48/33/30/930483330.db2.gz MEWIFLQWCOCIQL-QFBILLFUSA-N 2 1 370.468 3.755 20 0 FHADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325554 930505283 /nfs/dbraw/zinc/50/52/83/930505283.db2.gz QXWOGOGALNHBQA-MDNUFGMLSA-N 2 1 368.521 3.538 20 0 FHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325554 930505289 /nfs/dbraw/zinc/50/52/89/930505289.db2.gz QXWOGOGALNHBQA-MDNUFGMLSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325554 930505293 /nfs/dbraw/zinc/50/52/93/930505293.db2.gz QXWOGOGALNHBQA-MDNUFGMLSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325554 930505298 /nfs/dbraw/zinc/50/52/98/930505298.db2.gz QXWOGOGALNHBQA-MDNUFGMLSA-N 2 1 368.521 3.538 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000583410510 937424530 /nfs/dbraw/zinc/42/45/30/937424530.db2.gz RANKRAODTAOAMG-BETUJISGSA-N 2 1 350.450 3.746 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000397980430 930511610 /nfs/dbraw/zinc/51/16/10/930511610.db2.gz LZSFHURKTQBRGW-VWEINGBSSA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000397980430 930511613 /nfs/dbraw/zinc/51/16/13/930511613.db2.gz LZSFHURKTQBRGW-VWEINGBSSA-N 2 1 358.526 3.609 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000548091533 930632404 /nfs/dbraw/zinc/63/24/04/930632404.db2.gz BWSHWGNLBSBMKT-UHFFFAOYSA-N 2 1 357.542 3.619 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000656262437 930943532 /nfs/dbraw/zinc/94/35/32/930943532.db2.gz VKBVBLYLOURZCC-FQEVSTJZSA-N 2 1 352.526 3.653 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCO2 ZINC000160598585 931012274 /nfs/dbraw/zinc/01/22/74/931012274.db2.gz BPLAAMNTCCUXEI-JOCHJYFZSA-N 2 1 366.505 3.695 20 0 FHADMP OC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713678 931046851 /nfs/dbraw/zinc/04/68/51/931046851.db2.gz DNLUSAKTWTVFJQ-PKTZIBPZSA-N 2 1 364.533 3.624 20 0 FHADMP OC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000580713678 931046860 /nfs/dbraw/zinc/04/68/60/931046860.db2.gz DNLUSAKTWTVFJQ-PKTZIBPZSA-N 2 1 364.533 3.624 20 0 FHADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773830 931134390 /nfs/dbraw/zinc/13/43/90/931134390.db2.gz UFGUVNFSNSIGIW-QFIPXVFZSA-N 2 1 355.570 3.895 20 0 FHADMP CC1CC[NH+](CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773830 931134392 /nfs/dbraw/zinc/13/43/92/931134392.db2.gz UFGUVNFSNSIGIW-QFIPXVFZSA-N 2 1 355.570 3.895 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)CC1 ZINC000581080582 931544460 /nfs/dbraw/zinc/54/44/60/931544460.db2.gz RWLRLMUYZSCCOR-UHFFFAOYSA-N 2 1 371.569 3.620 20 0 FHADMP C[N@@H+](Cc1cn(C[C@H]2CC[NH+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467925 931808000 /nfs/dbraw/zinc/80/80/00/931808000.db2.gz HCDDGHHPHUCLHZ-FQEVSTJZSA-N 2 1 367.541 3.565 20 0 FHADMP C[NH+](Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467925 931808004 /nfs/dbraw/zinc/80/80/04/931808004.db2.gz HCDDGHHPHUCLHZ-FQEVSTJZSA-N 2 1 367.541 3.565 20 0 FHADMP C[NH+](Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467925 931808011 /nfs/dbraw/zinc/80/80/11/931808011.db2.gz HCDDGHHPHUCLHZ-FQEVSTJZSA-N 2 1 367.541 3.565 20 0 FHADMP Cc1ccc(Nc2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000430555604 931821603 /nfs/dbraw/zinc/82/16/03/931821603.db2.gz SLWKSIBWFOPGPV-UHFFFAOYSA-N 2 1 360.527 3.525 20 0 FHADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430569495 931904766 /nfs/dbraw/zinc/90/47/66/931904766.db2.gz HXBNRAUIOWJGOA-NRFANRHFSA-N 2 1 355.482 3.771 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574417 931920514 /nfs/dbraw/zinc/92/05/14/931920514.db2.gz SMYLCXQPKWXCLS-XDQVBPFNSA-N 2 1 372.340 3.618 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574417 931920517 /nfs/dbraw/zinc/92/05/17/931920517.db2.gz SMYLCXQPKWXCLS-XDQVBPFNSA-N 2 1 372.340 3.618 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574048 931924498 /nfs/dbraw/zinc/92/44/98/931924498.db2.gz SDACETHMSDYEPL-ZWKOTPCHSA-N 2 1 367.493 3.867 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000581385695 931929263 /nfs/dbraw/zinc/92/92/63/931929263.db2.gz LGHGLDXOGFOXPA-ILXRZTDVSA-N 2 1 350.528 3.838 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000581385695 931929268 /nfs/dbraw/zinc/92/92/68/931929268.db2.gz LGHGLDXOGFOXPA-ILXRZTDVSA-N 2 1 350.528 3.838 20 0 FHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430593129 932002521 /nfs/dbraw/zinc/00/25/21/932002521.db2.gz DJKSAVIMOUHDAY-UHFFFAOYSA-N 2 1 367.493 3.739 20 0 FHADMP COC(=O)c1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380363087 932183422 /nfs/dbraw/zinc/18/34/22/932183422.db2.gz JBMODINNJRWVQD-IBGZPJMESA-N 2 1 370.468 3.614 20 0 FHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380363087 932183428 /nfs/dbraw/zinc/18/34/28/932183428.db2.gz JBMODINNJRWVQD-IBGZPJMESA-N 2 1 370.468 3.614 20 0 FHADMP C[C@H](CC[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1)CC(C)(C)C ZINC001279507348 932310353 /nfs/dbraw/zinc/31/03/53/932310353.db2.gz WDLBNPRAAFEHIH-LJQANCHMSA-N 2 1 365.606 3.715 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC000656782390 932411222 /nfs/dbraw/zinc/41/12/22/932411222.db2.gz FPJFTKNQBMMOGO-LJQANCHMSA-N 2 1 352.526 3.607 20 0 FHADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782798 932411837 /nfs/dbraw/zinc/41/18/37/932411837.db2.gz JUASMPBHNMYOET-GOSISDBHSA-N 2 1 356.489 3.531 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1)CC(C)C ZINC000581683350 932486855 /nfs/dbraw/zinc/48/68/55/932486855.db2.gz OODNSIRTGFJNTJ-UHFFFAOYSA-N 2 1 357.546 3.548 20 0 FHADMP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155962011 932643987 /nfs/dbraw/zinc/64/39/87/932643987.db2.gz YCGLPOZPVDSECX-OALUTQOASA-N 2 1 361.549 3.543 20 0 FHADMP CC(C)Cn1nccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647192677 932883792 /nfs/dbraw/zinc/88/37/92/932883792.db2.gz SIBULAXLQZQTNR-NGRWLJPCSA-N 2 1 354.542 3.785 20 0 FHADMP CC(C)Cn1nccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000647192677 932883797 /nfs/dbraw/zinc/88/37/97/932883797.db2.gz SIBULAXLQZQTNR-NGRWLJPCSA-N 2 1 354.542 3.785 20 0 FHADMP C[N@H+](CCN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000093104977 932933509 /nfs/dbraw/zinc/93/35/09/932933509.db2.gz JKDBRTQBMIAFSS-VMPITWQZSA-N 2 1 367.512 3.589 20 0 FHADMP C[N@@H+](CCN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000093104977 932933515 /nfs/dbraw/zinc/93/35/15/932933515.db2.gz JKDBRTQBMIAFSS-VMPITWQZSA-N 2 1 367.512 3.589 20 0 FHADMP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835799 933087789 /nfs/dbraw/zinc/08/77/89/933087789.db2.gz QKWHZQKRNFHUKH-IRLDBZIGSA-N 2 1 365.521 3.606 20 0 FHADMP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835799 933087794 /nfs/dbraw/zinc/08/77/94/933087794.db2.gz QKWHZQKRNFHUKH-IRLDBZIGSA-N 2 1 365.521 3.606 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430913410 933409671 /nfs/dbraw/zinc/40/96/71/933409671.db2.gz UVSNOUUVDZCMTG-FGZHOGPDSA-N 2 1 371.569 3.655 20 0 FHADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000430920426 933419288 /nfs/dbraw/zinc/41/92/88/933419288.db2.gz OQOSHQUGXWCZLK-JTQLQIEISA-N 2 1 363.246 3.610 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000510703669 933461571 /nfs/dbraw/zinc/46/15/71/933461571.db2.gz PASLZNXESUJJMK-KRWDZBQOSA-N 2 1 368.949 3.896 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000510705892 933475687 /nfs/dbraw/zinc/47/56/87/933475687.db2.gz TXCNBRSDBMASKZ-UHFFFAOYSA-N 2 1 357.542 3.619 20 0 FHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000562986294 933603228 /nfs/dbraw/zinc/60/32/28/933603228.db2.gz AKQQYYGKARWYMU-MSOLQXFVSA-N 2 1 368.949 3.632 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994566 933697185 /nfs/dbraw/zinc/69/71/85/933697185.db2.gz CZKCVLOECHXGCO-IEBWSBKVSA-N 2 1 372.475 3.566 20 0 FHADMP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431032411 933708925 /nfs/dbraw/zinc/70/89/25/933708925.db2.gz CKJJBGBDSOEIQM-OEXQSEKGSA-N 2 1 369.553 3.591 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837399 933834098 /nfs/dbraw/zinc/83/40/98/933834098.db2.gz LCBDVLCPYICHAP-MSOLQXFVSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837399 933834100 /nfs/dbraw/zinc/83/41/00/933834100.db2.gz LCBDVLCPYICHAP-MSOLQXFVSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837399 933834108 /nfs/dbraw/zinc/83/41/08/933834108.db2.gz LCBDVLCPYICHAP-MSOLQXFVSA-N 2 1 357.542 3.664 20 0 FHADMP CCC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C1CC[NH2+]CC1 ZINC000431107781 933844783 /nfs/dbraw/zinc/84/47/83/933844783.db2.gz RVSBRIDAUXPVRO-UHFFFAOYSA-N 2 1 360.477 3.581 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000510868280 933902638 /nfs/dbraw/zinc/90/26/38/933902638.db2.gz KPNZMXORPLEFAN-RTBURBONSA-N 2 1 371.569 3.769 20 0 FHADMP COc1cccc(-c2csc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)n2)c1 ZINC000891903994 933986466 /nfs/dbraw/zinc/98/64/66/933986466.db2.gz ATRCKQJYKWILMO-MRXNPFEDSA-N 2 1 354.479 3.852 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092567695 934089411 /nfs/dbraw/zinc/08/94/11/934089411.db2.gz SSUZVNFLVFOFPV-VIQWUECVSA-N 2 1 352.563 3.845 20 0 FHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742402 934169414 /nfs/dbraw/zinc/16/94/14/934169414.db2.gz NGQGFFFLWBYQTH-GOSISDBHSA-N 2 1 358.505 3.792 20 0 FHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742402 934169420 /nfs/dbraw/zinc/16/94/20/934169420.db2.gz NGQGFFFLWBYQTH-GOSISDBHSA-N 2 1 358.505 3.792 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742402 934169427 /nfs/dbraw/zinc/16/94/27/934169427.db2.gz NGQGFFFLWBYQTH-GOSISDBHSA-N 2 1 358.505 3.792 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093742402 934169429 /nfs/dbraw/zinc/16/94/29/934169429.db2.gz NGQGFFFLWBYQTH-GOSISDBHSA-N 2 1 358.505 3.792 20 0 FHADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000548490266 934197367 /nfs/dbraw/zinc/19/73/67/934197367.db2.gz LLQVIKXAZUQSHV-LSDHHAIUSA-N 2 1 363.493 3.747 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H]1C ZINC000510943893 934211776 /nfs/dbraw/zinc/21/17/76/934211776.db2.gz HSCHUUSOSFXMFS-HZEGPAAWSA-N 2 1 372.553 3.855 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H]1C ZINC000510943893 934211781 /nfs/dbraw/zinc/21/17/81/934211781.db2.gz HSCHUUSOSFXMFS-HZEGPAAWSA-N 2 1 372.553 3.855 20 0 FHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976223 934246315 /nfs/dbraw/zinc/24/63/15/934246315.db2.gz FLLBKWSHTCKRKT-PKOBYXMFSA-N 2 1 360.542 3.997 20 0 FHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976223 934246321 /nfs/dbraw/zinc/24/63/21/934246321.db2.gz FLLBKWSHTCKRKT-PKOBYXMFSA-N 2 1 360.542 3.997 20 0 FHADMP COc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535681710 934273042 /nfs/dbraw/zinc/27/30/42/934273042.db2.gz TUDVBMPLOVSPMF-UHFFFAOYSA-N 2 1 351.494 3.578 20 0 FHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000535819280 934452500 /nfs/dbraw/zinc/45/25/00/934452500.db2.gz GDNTYXIARGAHPA-NRFANRHFSA-N 2 1 355.526 3.670 20 0 FHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000535820005 934511232 /nfs/dbraw/zinc/51/12/32/934511232.db2.gz WMZHZKUWDAQYDY-JOCHJYFZSA-N 2 1 365.521 3.956 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000535820005 934511240 /nfs/dbraw/zinc/51/12/40/934511240.db2.gz WMZHZKUWDAQYDY-JOCHJYFZSA-N 2 1 365.521 3.956 20 0 FHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccsc2S1 ZINC000537958623 934823699 /nfs/dbraw/zinc/82/36/99/934823699.db2.gz BLVFTULDRLUOTG-KKBVYLPWSA-N 2 1 352.569 3.641 20 0 FHADMP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000277382347 935046838 /nfs/dbraw/zinc/04/68/38/935046838.db2.gz XTRKHTYYOQEPSI-JYJNAYRXSA-N 2 1 359.518 3.670 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657307382 935069566 /nfs/dbraw/zinc/06/95/66/935069566.db2.gz FKQPKLULDLHJIL-UHFFFAOYSA-N 2 1 354.420 3.569 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657314228 935128863 /nfs/dbraw/zinc/12/88/63/935128863.db2.gz YMLOBJKSZTVTIU-XQBPLPMBSA-N 2 1 360.542 3.702 20 0 FHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cnn2c1CCC2)C1CCCCC1 ZINC000657324541 935215242 /nfs/dbraw/zinc/21/52/42/935215242.db2.gz UPZIEFVURGMCMV-UHFFFAOYSA-N 2 1 352.526 3.884 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)cc21 ZINC000657330235 935233419 /nfs/dbraw/zinc/23/34/19/935233419.db2.gz SPNZPWLHFQOUPP-SFHVURJKSA-N 2 1 363.505 3.987 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)cc21 ZINC000657330235 935233423 /nfs/dbraw/zinc/23/34/23/935233423.db2.gz SPNZPWLHFQOUPP-SFHVURJKSA-N 2 1 363.505 3.987 20 0 FHADMP c1cn(C2CC2)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000892185566 935265818 /nfs/dbraw/zinc/26/58/18/935265818.db2.gz JPMZUCOCOFDDKT-UHFFFAOYSA-N 2 1 350.510 3.706 20 0 FHADMP c1cn(C2CC2)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000892185566 935265825 /nfs/dbraw/zinc/26/58/25/935265825.db2.gz JPMZUCOCOFDDKT-UHFFFAOYSA-N 2 1 350.510 3.706 20 0 FHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657343292 935289897 /nfs/dbraw/zinc/28/98/97/935289897.db2.gz MHEVEZAXXYAAQY-UHFFFAOYSA-N 2 1 359.539 3.709 20 0 FHADMP Cc1ccc2cc(C[NH2+][C@H](CN3CC[NH+](C)CC3)c3ccccc3)[nH]c2c1 ZINC000657344971 935296942 /nfs/dbraw/zinc/29/69/42/935296942.db2.gz FLBUPRMVZMKVDG-HSZRJFAPSA-N 2 1 362.521 3.555 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)o1 ZINC000684797879 935415232 /nfs/dbraw/zinc/41/52/32/935415232.db2.gz OMGLMAIVRVEJTL-SFHVURJKSA-N 2 1 361.530 3.648 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374423 935455782 /nfs/dbraw/zinc/45/57/82/935455782.db2.gz KOSRHNDYXLRTMB-MLGOLLRUSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374423 935455783 /nfs/dbraw/zinc/45/57/83/935455783.db2.gz KOSRHNDYXLRTMB-MLGOLLRUSA-N 2 1 372.460 3.673 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268209 935470639 /nfs/dbraw/zinc/47/06/39/935470639.db2.gz CNKSELKMSORUGJ-ZWKOTPCHSA-N 2 1 372.475 3.637 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268209 935470642 /nfs/dbraw/zinc/47/06/42/935470642.db2.gz CNKSELKMSORUGJ-ZWKOTPCHSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268209 935470644 /nfs/dbraw/zinc/47/06/44/935470644.db2.gz CNKSELKMSORUGJ-ZWKOTPCHSA-N 2 1 372.475 3.637 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000582268209 935470645 /nfs/dbraw/zinc/47/06/45/935470645.db2.gz CNKSELKMSORUGJ-ZWKOTPCHSA-N 2 1 372.475 3.637 20 0 FHADMP CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207288788 935584683 /nfs/dbraw/zinc/58/46/83/935584683.db2.gz VJWYSUWIEHITBW-UHFFFAOYSA-N 2 1 355.567 3.686 20 0 FHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158586175 935647349 /nfs/dbraw/zinc/64/73/49/935647349.db2.gz HTAVHUISYZPXCZ-ZBLHWPFVSA-N 2 1 350.572 3.833 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)C(C)C ZINC000511124048 935694367 /nfs/dbraw/zinc/69/43/67/935694367.db2.gz JMFSVVVARVHEKW-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4cccnc43)CC2)cs1 ZINC000684955685 935901614 /nfs/dbraw/zinc/90/16/14/935901614.db2.gz SRGSHVLZUBQNBH-IBGZPJMESA-N 2 1 370.566 3.980 20 0 FHADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(C)C)c1 ZINC000133611117 936003705 /nfs/dbraw/zinc/00/37/05/936003705.db2.gz FKMJPHCPAOCXSE-JOCHJYFZSA-N 2 1 359.558 3.685 20 0 FHADMP CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595306 936075366 /nfs/dbraw/zinc/07/53/66/936075366.db2.gz ONKPMEGPNWGPLQ-IBGZPJMESA-N 2 1 364.489 3.852 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657621197 936102849 /nfs/dbraw/zinc/10/28/49/936102849.db2.gz JBGUTRZRTCCBDM-UHFFFAOYSA-N 2 1 352.413 3.546 20 0 FHADMP COCCc1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631089251 936191382 /nfs/dbraw/zinc/19/13/82/936191382.db2.gz ATJIDOPXYIODMH-IRXDYDNUSA-N 2 1 373.566 3.578 20 0 FHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237667629 936195690 /nfs/dbraw/zinc/19/56/90/936195690.db2.gz YZTNHPCQUKUZRB-MOPGFXCFSA-N 2 1 371.569 3.703 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000611728400 936221746 /nfs/dbraw/zinc/22/17/46/936221746.db2.gz XHJJYWZLCBTXJQ-IBGZPJMESA-N 2 1 374.573 3.592 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc2c(cc1OC)OCO2 ZINC000582932276 936298979 /nfs/dbraw/zinc/29/89/79/936298979.db2.gz YEQFIOYVXFPAFM-UHFFFAOYSA-N 2 1 356.466 3.508 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000657762721 938271221 /nfs/dbraw/zinc/27/12/21/938271221.db2.gz MPHNYXOESWVJHN-CTNGQTDRSA-N 2 1 371.569 3.716 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000657762721 938271222 /nfs/dbraw/zinc/27/12/22/938271222.db2.gz MPHNYXOESWVJHN-CTNGQTDRSA-N 2 1 371.569 3.716 20 0 FHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706743 938286645 /nfs/dbraw/zinc/28/66/45/938286645.db2.gz RRCCFQPOLNMRHN-NSHGMRRFSA-N 2 1 371.550 3.837 20 0 FHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708105 938288037 /nfs/dbraw/zinc/28/80/37/938288037.db2.gz TUEYMFQTDHAYLX-SZMVWBNQSA-N 2 1 356.432 3.732 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)[C@H]1CC[NH3+] ZINC000650711485 938295963 /nfs/dbraw/zinc/29/59/63/938295963.db2.gz VGCNOIIYJPWUTR-WFASDCNBSA-N 2 1 354.420 3.541 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)[C@H]1CC[NH3+] ZINC000650711485 938295965 /nfs/dbraw/zinc/29/59/65/938295965.db2.gz VGCNOIIYJPWUTR-WFASDCNBSA-N 2 1 354.420 3.541 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(C)c1OC(F)F ZINC000650721836 938310407 /nfs/dbraw/zinc/31/04/07/938310407.db2.gz CWPRIHSOKPDPCE-KZNAEPCWSA-N 2 1 368.468 3.766 20 0 FHADMP COc1cc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650723442 938310723 /nfs/dbraw/zinc/31/07/23/938310723.db2.gz NQZDAOMLABRQTP-MZMPZRCHSA-N 2 1 373.324 3.863 20 0 FHADMP COc1cc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650723442 938310724 /nfs/dbraw/zinc/31/07/24/938310724.db2.gz NQZDAOMLABRQTP-MZMPZRCHSA-N 2 1 373.324 3.863 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723962 938311068 /nfs/dbraw/zinc/31/10/68/938311068.db2.gz WFFXXRHAJFEJIP-DJIMGWMZSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723962 938311069 /nfs/dbraw/zinc/31/10/69/938311069.db2.gz WFFXXRHAJFEJIP-DJIMGWMZSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3cccs3)n2)C1 ZINC000650723990 938311128 /nfs/dbraw/zinc/31/11/28/938311128.db2.gz WNWCGRFWIKEOEO-KBMXLJTQSA-N 2 1 363.552 3.732 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3cccs3)n2)C1 ZINC000650723990 938311129 /nfs/dbraw/zinc/31/11/29/938311129.db2.gz WNWCGRFWIKEOEO-KBMXLJTQSA-N 2 1 363.552 3.732 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773873 938319040 /nfs/dbraw/zinc/31/90/40/938319040.db2.gz VBHHXHQRUMHMIQ-HXUWFJFHSA-N 2 1 364.537 3.689 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000126930868 938328866 /nfs/dbraw/zinc/32/88/66/938328866.db2.gz XXZUWFFGBMPTHR-OXJNMPFZSA-N 2 1 366.509 3.622 20 0 FHADMP FC(F)C(F)(F)COCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278370343 938355381 /nfs/dbraw/zinc/35/53/81/938355381.db2.gz DMNHQAVGPUWQMG-BJWYYQGGSA-N 2 1 374.422 3.689 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000583740472 938386369 /nfs/dbraw/zinc/38/63/69/938386369.db2.gz MYFDQQFNVPXZNY-OAQYLSRUSA-N 2 1 369.513 3.566 20 0 FHADMP c1cc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779812 938405713 /nfs/dbraw/zinc/40/57/13/938405713.db2.gz KXTBXYBDNCOGQG-QFIPXVFZSA-N 2 1 362.477 3.768 20 0 FHADMP c1cc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779812 938405714 /nfs/dbraw/zinc/40/57/14/938405714.db2.gz KXTBXYBDNCOGQG-QFIPXVFZSA-N 2 1 362.477 3.768 20 0 FHADMP c1cc(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779812 938405716 /nfs/dbraw/zinc/40/57/16/938405716.db2.gz KXTBXYBDNCOGQG-QFIPXVFZSA-N 2 1 362.477 3.768 20 0 FHADMP c1cc(-c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)o2)n[nH]1 ZINC000583779812 938405718 /nfs/dbraw/zinc/40/57/18/938405718.db2.gz KXTBXYBDNCOGQG-QFIPXVFZSA-N 2 1 362.477 3.768 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000650758853 938429555 /nfs/dbraw/zinc/42/95/55/938429555.db2.gz ZDOUXKCYHZOTJH-AWEZNQCLSA-N 2 1 369.900 3.799 20 0 FHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000600966816 938451907 /nfs/dbraw/zinc/45/19/07/938451907.db2.gz GRHNLECALGDKPS-LJQANCHMSA-N 2 1 365.949 3.522 20 0 FHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000600966816 938451908 /nfs/dbraw/zinc/45/19/08/938451908.db2.gz GRHNLECALGDKPS-LJQANCHMSA-N 2 1 365.949 3.522 20 0 FHADMP CCCO[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467878 /nfs/dbraw/zinc/46/78/78/938467878.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 2 1 354.579 3.939 20 0 FHADMP CCCO[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467881 /nfs/dbraw/zinc/46/78/81/938467881.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 2 1 354.579 3.939 20 0 FHADMP CCCO[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467883 /nfs/dbraw/zinc/46/78/83/938467883.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 2 1 354.579 3.939 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000583887959 938467958 /nfs/dbraw/zinc/46/79/58/938467958.db2.gz LGGCIYBGQODDCQ-UVDFWXMISA-N 2 1 351.897 3.520 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1cccc(Br)c1 ZINC000583899396 938473477 /nfs/dbraw/zinc/47/34/77/938473477.db2.gz NPJAJXBPZBYTSA-QGPMSJSTSA-N 2 1 351.332 3.969 20 0 FHADMP C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc(Br)c1 ZINC000583899396 938473479 /nfs/dbraw/zinc/47/34/79/938473479.db2.gz NPJAJXBPZBYTSA-QGPMSJSTSA-N 2 1 351.332 3.969 20 0 FHADMP CC[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000583904036 938476394 /nfs/dbraw/zinc/47/63/94/938476394.db2.gz YEKWJICAMHEWLA-NRFANRHFSA-N 2 1 353.510 3.640 20 0 FHADMP CC[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000583904037 938476493 /nfs/dbraw/zinc/47/64/93/938476493.db2.gz YEKWJICAMHEWLA-OAQYLSRUSA-N 2 1 353.510 3.640 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000536158659 938478314 /nfs/dbraw/zinc/47/83/14/938478314.db2.gz PKOPIGNYCWQOTP-GHTZIAJQSA-N 2 1 362.533 3.875 20 0 FHADMP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)cs2)cs1 ZINC000151367887 938532383 /nfs/dbraw/zinc/53/23/83/938532383.db2.gz IVEWAWSTUXMIGR-ZDUSSCGKSA-N 2 1 365.568 3.677 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000132755633 938539478 /nfs/dbraw/zinc/53/94/78/938539478.db2.gz UTEZIYQCCZSBQV-LBPRGKRZSA-N 2 1 365.403 3.523 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819142 938553153 /nfs/dbraw/zinc/55/31/53/938553153.db2.gz QBFDWICKZYMIFX-YUXAGFNASA-N 2 1 350.506 3.895 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819142 938553155 /nfs/dbraw/zinc/55/31/55/938553155.db2.gz QBFDWICKZYMIFX-YUXAGFNASA-N 2 1 350.506 3.895 20 0 FHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000133524636 938582779 /nfs/dbraw/zinc/58/27/79/938582779.db2.gz HHCKGISYUYFZTH-OAQYLSRUSA-N 2 1 358.913 3.670 20 0 FHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)OC ZINC000584172376 938626048 /nfs/dbraw/zinc/62/60/48/938626048.db2.gz NCAPBIGYXXWPJS-LJQANCHMSA-N 2 1 358.526 3.753 20 0 FHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)OC ZINC000584172376 938626056 /nfs/dbraw/zinc/62/60/56/938626056.db2.gz NCAPBIGYXXWPJS-LJQANCHMSA-N 2 1 358.526 3.753 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657836479 938646418 /nfs/dbraw/zinc/64/64/18/938646418.db2.gz UTCUYCNIDMMGCD-DOTOQJQBSA-N 2 1 351.332 3.844 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000657837959 938681080 /nfs/dbraw/zinc/68/10/80/938681080.db2.gz LBFCAVBRLFHSFC-AUSIDOKSSA-N 2 1 374.569 3.840 20 0 FHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635481 938800579 /nfs/dbraw/zinc/80/05/79/938800579.db2.gz IAQZOBZOKOYVNX-OAQYLSRUSA-N 2 1 365.521 3.824 20 0 FHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635481 938800582 /nfs/dbraw/zinc/80/05/82/938800582.db2.gz IAQZOBZOKOYVNX-OAQYLSRUSA-N 2 1 365.521 3.824 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635481 938800585 /nfs/dbraw/zinc/80/05/85/938800585.db2.gz IAQZOBZOKOYVNX-OAQYLSRUSA-N 2 1 365.521 3.824 20 0 FHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635481 938800587 /nfs/dbraw/zinc/80/05/87/938800587.db2.gz IAQZOBZOKOYVNX-OAQYLSRUSA-N 2 1 365.521 3.824 20 0 FHADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1Cl ZINC000278765780 938843409 /nfs/dbraw/zinc/84/34/09/938843409.db2.gz BXZKKGPVJHPBMH-LJQANCHMSA-N 2 1 359.901 3.786 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000089127410 938853951 /nfs/dbraw/zinc/85/39/51/938853951.db2.gz WXXROSCXCKLXIK-UHFFFAOYSA-N 2 1 350.478 3.556 20 0 FHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Sc1ccc(Br)cc1 ZINC000089582480 938866094 /nfs/dbraw/zinc/86/60/94/938866094.db2.gz JFEVYQXEYPTOHY-ZENOOKHLSA-N 2 1 357.361 3.860 20 0 FHADMP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090727457 938882447 /nfs/dbraw/zinc/88/24/47/938882447.db2.gz AASBPQFTVRAUDQ-OAHLLOKOSA-N 2 1 359.489 3.831 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414900917 945215019 /nfs/dbraw/zinc/21/50/19/945215019.db2.gz FLSLNVZOFMDSNW-WMZOPIPTSA-N 2 1 369.513 3.694 20 0 FHADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000092739331 938919041 /nfs/dbraw/zinc/91/90/41/938919041.db2.gz RDLGOWXOGSMCDB-JKSUJKDBSA-N 2 1 353.576 3.946 20 0 FHADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000092739332 938919067 /nfs/dbraw/zinc/91/90/67/938919067.db2.gz RDLGOWXOGSMCDB-HOTGVXAUSA-N 2 1 353.576 3.946 20 0 FHADMP C[N@H+](CCc1ccc2c(c1)CCO2)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821384 938921884 /nfs/dbraw/zinc/92/18/84/938921884.db2.gz ACUPGTVISPOWBG-UHFFFAOYSA-N 2 1 365.521 3.798 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768692 938965900 /nfs/dbraw/zinc/96/59/00/938965900.db2.gz OAPXTXLUWXINOR-WBVHZDCISA-N 2 1 356.432 3.714 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768692 938965902 /nfs/dbraw/zinc/96/59/02/938965902.db2.gz OAPXTXLUWXINOR-WBVHZDCISA-N 2 1 356.432 3.714 20 0 FHADMP CCc1oc2ccccc2c1C[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000685444706 938987041 /nfs/dbraw/zinc/98/70/41/938987041.db2.gz XYOCRMMYGKHQTD-UHFFFAOYSA-N 2 1 374.525 3.554 20 0 FHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457604 938987831 /nfs/dbraw/zinc/98/78/31/938987831.db2.gz GLHMVDALBYESBZ-IBGZPJMESA-N 2 1 369.475 3.614 20 0 FHADMP Cc1cc2cc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)oc2cc1C ZINC000685458011 938987985 /nfs/dbraw/zinc/98/79/85/938987985.db2.gz XIIRRWOZZQKDTF-FQEVSTJZSA-N 2 1 355.526 3.650 20 0 FHADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000685458062 938988029 /nfs/dbraw/zinc/98/80/29/938988029.db2.gz ZPTTUPSVDZDXSO-VABKMULXSA-N 2 1 355.570 3.597 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000685464197 938988754 /nfs/dbraw/zinc/98/87/54/938988754.db2.gz DJWWQWHBGAHNII-FGZHOGPDSA-N 2 1 372.553 3.800 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572102 938992020 /nfs/dbraw/zinc/99/20/20/938992020.db2.gz CTKJLKDHBQNZQX-WMZOPIPTSA-N 2 1 368.912 3.845 20 0 FHADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)C1 ZINC000163293727 938995888 /nfs/dbraw/zinc/99/58/88/938995888.db2.gz UXXHUEKLENIFAZ-NWDGAFQWSA-N 2 1 364.383 3.882 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)C1 ZINC000163293727 938995889 /nfs/dbraw/zinc/99/58/89/938995889.db2.gz UXXHUEKLENIFAZ-NWDGAFQWSA-N 2 1 364.383 3.882 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000685646316 939008091 /nfs/dbraw/zinc/00/80/91/939008091.db2.gz MTXCOXNCUOPFOI-MJGOQNOKSA-N 2 1 354.494 3.964 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657930184 939009011 /nfs/dbraw/zinc/00/90/11/939009011.db2.gz BJXKRMULAPBJQI-PMOQBDJRSA-N 2 1 374.569 3.708 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653812 939009086 /nfs/dbraw/zinc/00/90/86/939009086.db2.gz XECVKWPPFOZJNP-DYESRHJHSA-N 2 1 361.489 3.652 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657969711 939013530 /nfs/dbraw/zinc/01/35/30/939013530.db2.gz UDZAHVXPPNAPBB-OXJNMPFZSA-N 2 1 365.477 3.635 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019639 939018961 /nfs/dbraw/zinc/01/89/61/939018961.db2.gz UAADBRZXUIOVBU-PKTZIBPZSA-N 2 1 374.569 3.710 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135373 939030078 /nfs/dbraw/zinc/03/00/78/939030078.db2.gz DIKFASYRFPUZDZ-HNAYVOBHSA-N 2 1 356.535 3.654 20 0 FHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CC2)cc1 ZINC000658134481 939030143 /nfs/dbraw/zinc/03/01/43/939030143.db2.gz AZYMLQARKQYJTG-DHIUTWEWSA-N 2 1 350.506 3.803 20 0 FHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140202 939035070 /nfs/dbraw/zinc/03/50/70/939035070.db2.gz UHBZCJHLRFMARM-VXKWHMMOSA-N 2 1 350.506 3.647 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)[C@H](C)C2 ZINC000658139398 939043329 /nfs/dbraw/zinc/04/33/29/939043329.db2.gz QDZBBALSNIRTIS-ODOSVJCGSA-N 2 1 350.506 3.585 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140713 939043482 /nfs/dbraw/zinc/04/34/82/939043482.db2.gz QUNFCNGLBRSEDE-UUOWRZLLSA-N 2 1 364.533 3.983 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658211178 939064657 /nfs/dbraw/zinc/06/46/57/939064657.db2.gz CYIJTNIGRJZZCD-ACDBMABISA-N 2 1 350.510 3.583 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658211178 939064665 /nfs/dbraw/zinc/06/46/65/939064665.db2.gz CYIJTNIGRJZZCD-ACDBMABISA-N 2 1 350.510 3.583 20 0 FHADMP C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658268423 939093917 /nfs/dbraw/zinc/09/39/17/939093917.db2.gz NWSBTZLKLSCPBE-PXNSSMCTSA-N 2 1 352.526 3.688 20 0 FHADMP C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658268423 939093919 /nfs/dbraw/zinc/09/39/19/939093919.db2.gz NWSBTZLKLSCPBE-PXNSSMCTSA-N 2 1 352.526 3.688 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319466 939111160 /nfs/dbraw/zinc/11/11/60/939111160.db2.gz BSVSFBBMLDZJRL-UXHICEINSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319466 939111161 /nfs/dbraw/zinc/11/11/61/939111161.db2.gz BSVSFBBMLDZJRL-UXHICEINSA-N 2 1 352.526 3.763 20 0 FHADMP Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320382 939111424 /nfs/dbraw/zinc/11/14/24/939111424.db2.gz VDWDMBFUVPQFIS-NHCUHLMSSA-N 2 1 364.537 3.763 20 0 FHADMP Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320382 939111437 /nfs/dbraw/zinc/11/14/37/939111437.db2.gz VDWDMBFUVPQFIS-NHCUHLMSSA-N 2 1 364.537 3.763 20 0 FHADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320432 939111633 /nfs/dbraw/zinc/11/16/33/939111633.db2.gz XUNGJNDJXBQMFS-PZJWPPBQSA-N 2 1 352.526 3.554 20 0 FHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421826538 939123169 /nfs/dbraw/zinc/12/31/69/939123169.db2.gz SWJTYHMVWLRXGD-JTHBVZDNSA-N 2 1 367.537 3.628 20 0 FHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421826538 939123171 /nfs/dbraw/zinc/12/31/71/939123171.db2.gz SWJTYHMVWLRXGD-JTHBVZDNSA-N 2 1 367.537 3.628 20 0 FHADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472372465 939173510 /nfs/dbraw/zinc/17/35/10/939173510.db2.gz XPHJXNIVPPSAFH-VQTJNVASSA-N 2 1 354.494 3.573 20 0 FHADMP CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000518250474 945252833 /nfs/dbraw/zinc/25/28/33/945252833.db2.gz GVUPQYNCBLUGNA-FQEVSTJZSA-N 2 1 371.569 3.588 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000511850525 945273834 /nfs/dbraw/zinc/27/38/34/945273834.db2.gz RJBSQJWLRUEFSD-GOSISDBHSA-N 2 1 357.542 3.523 20 0 FHADMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc2c1OCO2 ZINC000065976657 940134349 /nfs/dbraw/zinc/13/43/49/940134349.db2.gz KCOXOIRNWXLKPD-UHFFFAOYSA-N 2 1 356.466 3.554 20 0 FHADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799801 940183310 /nfs/dbraw/zinc/18/33/10/940183310.db2.gz RCGOTVVQQSCIJM-NRSFXHEJSA-N 2 1 356.432 3.739 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000584499351 940269681 /nfs/dbraw/zinc/26/96/81/940269681.db2.gz HVXSQEKHZLGBKD-FKVLARQCSA-N 2 1 360.542 3.633 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@H]1[NH3+] ZINC000647497730 940376685 /nfs/dbraw/zinc/37/66/85/940376685.db2.gz SVIQGNVNKBFOPM-TZIWHRDSSA-N 2 1 353.510 3.837 20 0 FHADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000177774371 940429218 /nfs/dbraw/zinc/42/92/18/940429218.db2.gz ZZHOUBWGUGIAJK-AEFFLSMTSA-N 2 1 353.551 3.629 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000414055137 940463524 /nfs/dbraw/zinc/46/35/24/940463524.db2.gz CFFCTZOZQZUJQU-GOSISDBHSA-N 2 1 354.494 3.687 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749834 940467343 /nfs/dbraw/zinc/46/73/43/940467343.db2.gz FAJKPYGWXNBFJK-SFHLNBCPSA-N 2 1 363.590 3.658 20 0 FHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H]1C[C@H]1C ZINC000414062289 940470274 /nfs/dbraw/zinc/47/02/74/940470274.db2.gz BKMDWHJUCWPXAM-YHYVQYDKSA-N 2 1 360.542 3.700 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414091105 940496283 /nfs/dbraw/zinc/49/62/83/940496283.db2.gz DLMKLYFFYZKQCB-BBTUJRGHSA-N 2 1 353.510 3.521 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414091105 940496285 /nfs/dbraw/zinc/49/62/85/940496285.db2.gz DLMKLYFFYZKQCB-BBTUJRGHSA-N 2 1 353.510 3.521 20 0 FHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C)n1 ZINC000660624230 945329822 /nfs/dbraw/zinc/32/98/22/945329822.db2.gz WYVXBAOIJRVPJI-UHFFFAOYSA-N 2 1 350.510 3.582 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431801965 940606523 /nfs/dbraw/zinc/60/65/23/940606523.db2.gz QTLVGRAGJSEZTI-BAGYTPMASA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801965 940606525 /nfs/dbraw/zinc/60/65/25/940606525.db2.gz QTLVGRAGJSEZTI-BAGYTPMASA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801965 940606529 /nfs/dbraw/zinc/60/65/29/940606529.db2.gz QTLVGRAGJSEZTI-BAGYTPMASA-N 2 1 371.569 3.762 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000414121960 940618120 /nfs/dbraw/zinc/61/81/20/940618120.db2.gz NPTLBGJIDRVHQZ-VPWXQRGCSA-N 2 1 359.539 3.755 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000414121960 940618122 /nfs/dbraw/zinc/61/81/22/940618122.db2.gz NPTLBGJIDRVHQZ-VPWXQRGCSA-N 2 1 359.539 3.755 20 0 FHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168361 940704158 /nfs/dbraw/zinc/70/41/58/940704158.db2.gz ACDZFIAOHMXSNY-GOEBONIOSA-N 2 1 361.921 3.612 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000414174129 940710956 /nfs/dbraw/zinc/71/09/56/940710956.db2.gz GLLBSXWXKJGXMA-ZNLUXHQJSA-N 2 1 350.506 3.663 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000414174129 940710961 /nfs/dbraw/zinc/71/09/61/940710961.db2.gz GLLBSXWXKJGXMA-ZNLUXHQJSA-N 2 1 350.506 3.663 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000170689681 940777153 /nfs/dbraw/zinc/77/71/53/940777153.db2.gz ZHZKUGSPUSUBQI-HOTGVXAUSA-N 2 1 359.539 3.618 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582184 940949122 /nfs/dbraw/zinc/94/91/22/940949122.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472582184 940949125 /nfs/dbraw/zinc/94/91/25/940949125.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 2 1 355.570 3.849 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472582184 940949128 /nfs/dbraw/zinc/94/91/28/940949128.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 2 1 355.570 3.849 20 0 FHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661167 945366073 /nfs/dbraw/zinc/36/60/73/945366073.db2.gz ZAAMGLQIONPFFN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661167 945366083 /nfs/dbraw/zinc/36/60/83/945366083.db2.gz ZAAMGLQIONPFFN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661167 945366092 /nfs/dbraw/zinc/36/60/92/945366092.db2.gz ZAAMGLQIONPFFN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661167 945366103 /nfs/dbraw/zinc/36/61/03/945366103.db2.gz ZAAMGLQIONPFFN-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662698 945366867 /nfs/dbraw/zinc/36/68/67/945366867.db2.gz LNOVMPIGDMQPAR-JOCHJYFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662698 945366878 /nfs/dbraw/zinc/36/68/78/945366878.db2.gz LNOVMPIGDMQPAR-JOCHJYFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662698 945366890 /nfs/dbraw/zinc/36/68/90/945366890.db2.gz LNOVMPIGDMQPAR-JOCHJYFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)n1 ZINC000162761081 941057192 /nfs/dbraw/zinc/05/71/92/941057192.db2.gz BYFYXSMJMRLXJJ-UHFFFAOYSA-N 2 1 367.541 3.771 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)ccn1 ZINC000647543060 941065183 /nfs/dbraw/zinc/06/51/83/941065183.db2.gz HAHDWKTYUAMTOL-YADHBBJMSA-N 2 1 365.521 3.872 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543821 941065807 /nfs/dbraw/zinc/06/58/07/941065807.db2.gz SNSRQPYJJBRIBM-LEWJYISDSA-N 2 1 365.521 3.969 20 0 FHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C(F)(F)F ZINC000414403510 941103349 /nfs/dbraw/zinc/10/33/49/941103349.db2.gz GRQFURUFQBEHEI-RYQLBKOJSA-N 2 1 356.432 3.697 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000423501048 941124008 /nfs/dbraw/zinc/12/40/08/941124008.db2.gz AVALMYVFUQUZAI-CZVCLPBNSA-N 2 1 361.496 3.550 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1)C(C)C ZINC000177798035 941150553 /nfs/dbraw/zinc/15/05/53/941150553.db2.gz WRKSOKKFHBWFRR-RTWAWAEBSA-N 2 1 357.542 3.616 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1)C(C)C ZINC000177798035 941150555 /nfs/dbraw/zinc/15/05/55/941150555.db2.gz WRKSOKKFHBWFRR-RTWAWAEBSA-N 2 1 357.542 3.616 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc1)C(C)C ZINC000177798035 941150557 /nfs/dbraw/zinc/15/05/57/941150557.db2.gz WRKSOKKFHBWFRR-RTWAWAEBSA-N 2 1 357.542 3.616 20 0 FHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000311298991 941225796 /nfs/dbraw/zinc/22/57/96/941225796.db2.gz GMJPNXVIHIBNHI-UHFFFAOYSA-N 2 1 361.530 3.674 20 0 FHADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000179174000 941338721 /nfs/dbraw/zinc/33/87/21/941338721.db2.gz PCAANPBJNUZKBZ-VQIMIIECSA-N 2 1 368.477 3.668 20 0 FHADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2o1 ZINC000179174000 941338722 /nfs/dbraw/zinc/33/87/22/941338722.db2.gz PCAANPBJNUZKBZ-VQIMIIECSA-N 2 1 368.477 3.668 20 0 FHADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2o1 ZINC000179174000 941338723 /nfs/dbraw/zinc/33/87/23/941338723.db2.gz PCAANPBJNUZKBZ-VQIMIIECSA-N 2 1 368.477 3.668 20 0 FHADMP CC(C)C[C@@H]([NH3+])c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000414611976 941398344 /nfs/dbraw/zinc/39/83/44/941398344.db2.gz CLURPRHGMIGOOU-DBXWQHBBSA-N 2 1 354.498 3.669 20 0 FHADMP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)cc1 ZINC000468559965 941563191 /nfs/dbraw/zinc/56/31/91/941563191.db2.gz KYNJERBLLGSVEP-SFFCAUCYSA-N 2 1 360.542 3.663 20 0 FHADMP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047567 941564971 /nfs/dbraw/zinc/56/49/71/941564971.db2.gz DXXWYCAVBKISHA-QIBIFGARSA-N 2 1 361.961 3.782 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415052216 941567520 /nfs/dbraw/zinc/56/75/20/941567520.db2.gz MUPONOOSRBZBIS-IRLDBZIGSA-N 2 1 351.494 3.625 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415060224 941571755 /nfs/dbraw/zinc/57/17/55/941571755.db2.gz YMWIQZSWZFUEFK-SIKLNZKXSA-N 2 1 351.494 3.625 20 0 FHADMP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415078222 941587910 /nfs/dbraw/zinc/58/79/10/941587910.db2.gz GDPWLERIOZRVNX-YADHBBJMSA-N 2 1 360.505 3.557 20 0 FHADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415080454 941591076 /nfs/dbraw/zinc/59/10/76/941591076.db2.gz JKTKSZJPJROVQC-NJDAHSKKSA-N 2 1 367.493 3.893 20 0 FHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000415100599 941603741 /nfs/dbraw/zinc/60/37/41/941603741.db2.gz AVUQKJVDJLLZAK-PBHICJAKSA-N 2 1 361.288 3.851 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)C1 ZINC000415118932 941614634 /nfs/dbraw/zinc/61/46/34/941614634.db2.gz DTXSJKRXNRQRLO-DOTOQJQBSA-N 2 1 374.859 3.660 20 0 FHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415126031 941615524 /nfs/dbraw/zinc/61/55/24/941615524.db2.gz LWMRNFRGCQOBKX-LAUBAEHRSA-N 2 1 369.557 3.550 20 0 FHADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000415123861 941619975 /nfs/dbraw/zinc/61/99/75/941619975.db2.gz JUZWNFVQGZGMGI-TZMCWYRMSA-N 2 1 352.404 3.512 20 0 FHADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415123856 941620036 /nfs/dbraw/zinc/62/00/36/941620036.db2.gz JUZWNFVQGZGMGI-JSGCOSHPSA-N 2 1 352.404 3.512 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000174894476 941769506 /nfs/dbraw/zinc/76/95/06/941769506.db2.gz GGUAYYMTQFQKBO-GOSISDBHSA-N 2 1 367.990 3.534 20 0 FHADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000174894476 941769507 /nfs/dbraw/zinc/76/95/07/941769507.db2.gz GGUAYYMTQFQKBO-GOSISDBHSA-N 2 1 367.990 3.534 20 0 FHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231109 941788409 /nfs/dbraw/zinc/78/84/09/941788409.db2.gz BTSXYFXVKUEYKU-PZJWPPBQSA-N 2 1 373.585 3.519 20 0 FHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377558830 941807128 /nfs/dbraw/zinc/80/71/28/941807128.db2.gz ATFBMWBXHFOODW-SFHVURJKSA-N 2 1 373.472 3.553 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513329162 941854870 /nfs/dbraw/zinc/85/48/70/941854870.db2.gz BGPUARPWOJCIQN-PTUXOGIPSA-N 2 1 352.522 3.887 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513329162 941854876 /nfs/dbraw/zinc/85/48/76/941854876.db2.gz BGPUARPWOJCIQN-PTUXOGIPSA-N 2 1 352.522 3.887 20 0 FHADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377650791 941866133 /nfs/dbraw/zinc/86/61/33/941866133.db2.gz NXWICUNLIZZNDM-JOCHJYFZSA-N 2 1 358.526 3.648 20 0 FHADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH+]3CCC(OC)CC3)CCCC1)CC2 ZINC000513367143 941871912 /nfs/dbraw/zinc/87/19/12/941871912.db2.gz SSVPOXRMLBPOFT-FQEVSTJZSA-N 2 1 372.553 3.566 20 0 FHADMP Cn1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)n1 ZINC000377697847 941908420 /nfs/dbraw/zinc/90/84/20/941908420.db2.gz JLUITLSIPFXUMH-UHFFFAOYSA-N 2 1 361.493 3.583 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893028579 941909611 /nfs/dbraw/zinc/90/96/11/941909611.db2.gz GVCCLDOTVPOVLP-FQEVSTJZSA-N 2 1 364.534 3.599 20 0 FHADMP C[N@H+](Cc1ncc(C(F)(F)F)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709102 941920078 /nfs/dbraw/zinc/92/00/78/941920078.db2.gz UNQZRJUVBXNGHZ-UHFFFAOYSA-N 2 1 356.417 3.658 20 0 FHADMP C[N@@H+](Cc1ncc(C(F)(F)F)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709102 941920080 /nfs/dbraw/zinc/92/00/80/941920080.db2.gz UNQZRJUVBXNGHZ-UHFFFAOYSA-N 2 1 356.417 3.658 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000513464925 941942191 /nfs/dbraw/zinc/94/21/91/941942191.db2.gz GPFMJGIFAWWQHR-IBGZPJMESA-N 2 1 367.537 3.779 20 0 FHADMP CC[NH+](CC)Cc1ccccc1-c1noc([C@@H]2CCCc3[nH+]ccn32)n1 ZINC000377735821 941949333 /nfs/dbraw/zinc/94/93/33/941949333.db2.gz FATQKHCVDXXLII-KRWDZBQOSA-N 2 1 351.454 3.701 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377759604 941966498 /nfs/dbraw/zinc/96/64/98/941966498.db2.gz HLWOLCYACFTVAY-IFMALSPDSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377759604 941966500 /nfs/dbraw/zinc/96/65/00/941966500.db2.gz HLWOLCYACFTVAY-IFMALSPDSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377759604 941966504 /nfs/dbraw/zinc/96/65/04/941966504.db2.gz HLWOLCYACFTVAY-IFMALSPDSA-N 2 1 373.500 3.894 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([S@@](C)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513512674 941983747 /nfs/dbraw/zinc/98/37/47/941983747.db2.gz PHWXXSDHRPVNGO-KAWPREARSA-N 2 1 370.562 3.814 20 0 FHADMP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000430022374 941989155 /nfs/dbraw/zinc/98/91/55/941989155.db2.gz BMDJTRXTBHKYFZ-UHFFFAOYSA-N 2 1 368.525 3.768 20 0 FHADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000430028076 941992477 /nfs/dbraw/zinc/99/24/77/941992477.db2.gz RJBHVTKHKOTGAM-UHFFFAOYSA-N 2 1 356.514 3.625 20 0 FHADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000430028076 941992480 /nfs/dbraw/zinc/99/24/80/941992480.db2.gz RJBHVTKHKOTGAM-UHFFFAOYSA-N 2 1 356.514 3.625 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513544195 942004630 /nfs/dbraw/zinc/00/46/30/942004630.db2.gz FFWJLPLTITZWNN-QUCCMNQESA-N 2 1 366.505 3.848 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543932 942004790 /nfs/dbraw/zinc/00/47/90/942004790.db2.gz BCIIBOSDGFFBEP-ICSRJNTNSA-N 2 1 362.521 3.964 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1)CC(C)C ZINC000462903471 942016764 /nfs/dbraw/zinc/01/67/64/942016764.db2.gz SHGGOFPAYUJCBW-UHFFFAOYSA-N 2 1 356.505 3.938 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000415913823 942136911 /nfs/dbraw/zinc/13/69/11/942136911.db2.gz RRYCNQPDGCZHNC-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415912479 942146305 /nfs/dbraw/zinc/14/63/05/942146305.db2.gz LLMQBWWZSKLUCC-XLIONFOSSA-N 2 1 366.509 3.581 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000415924725 942153741 /nfs/dbraw/zinc/15/37/41/942153741.db2.gz SAVRWQHFKYXXIG-RTBURBONSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000415924725 942153747 /nfs/dbraw/zinc/15/37/47/942153747.db2.gz SAVRWQHFKYXXIG-RTBURBONSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000415925928 942154904 /nfs/dbraw/zinc/15/49/04/942154904.db2.gz BQMPHFLZONPZFA-UHFFFAOYSA-N 2 1 354.498 3.568 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994300 942159147 /nfs/dbraw/zinc/15/91/47/942159147.db2.gz MPVXPSSHTRENKV-BAGYTPMASA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000501994300 942159153 /nfs/dbraw/zinc/15/91/53/942159153.db2.gz MPVXPSSHTRENKV-BAGYTPMASA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000501994300 942159155 /nfs/dbraw/zinc/15/91/55/942159155.db2.gz MPVXPSSHTRENKV-BAGYTPMASA-N 2 1 371.569 3.668 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000415926916 942163864 /nfs/dbraw/zinc/16/38/64/942163864.db2.gz CHJJAHGXHKVCBF-LJQANCHMSA-N 2 1 374.916 3.874 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415954035 942195567 /nfs/dbraw/zinc/19/55/67/942195567.db2.gz LVTBRJPUKJQTNX-PXNSSMCTSA-N 2 1 366.509 3.581 20 0 FHADMP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415975698 942219075 /nfs/dbraw/zinc/21/90/75/942219075.db2.gz MUFWVGHEGVIPLM-DYESRHJHSA-N 2 1 366.509 3.835 20 0 FHADMP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415975702 942219089 /nfs/dbraw/zinc/21/90/89/942219089.db2.gz MUFWVGHEGVIPLM-UWJYYQICSA-N 2 1 366.509 3.835 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415980247 942223209 /nfs/dbraw/zinc/22/32/09/942223209.db2.gz SEMDUJSYEHCONA-KRWDZBQOSA-N 2 1 366.509 3.699 20 0 FHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040453 942270618 /nfs/dbraw/zinc/27/06/18/942270618.db2.gz ZYIGKXDYMWCMLH-GRGSLBFTSA-N 2 1 370.459 3.992 20 0 FHADMP C[N@@H+](CCOc1cccc(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049863 942275490 /nfs/dbraw/zinc/27/54/90/942275490.db2.gz UYFMXOCXFLKTDR-UHFFFAOYSA-N 2 1 359.901 3.962 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000431856877 942285237 /nfs/dbraw/zinc/28/52/37/942285237.db2.gz KAWKBOOQJSMNJR-CTNGQTDRSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431856877 942285240 /nfs/dbraw/zinc/28/52/40/942285240.db2.gz KAWKBOOQJSMNJR-CTNGQTDRSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431856877 942285244 /nfs/dbraw/zinc/28/52/44/942285244.db2.gz KAWKBOOQJSMNJR-CTNGQTDRSA-N 2 1 363.590 3.754 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000420977101 942287857 /nfs/dbraw/zinc/28/78/57/942287857.db2.gz HSEVUIFTRSPCMT-UHFFFAOYSA-N 2 1 357.567 3.893 20 0 FHADMP CCOc1ccc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000501100862 942307564 /nfs/dbraw/zinc/30/75/64/942307564.db2.gz KVXCKOYRFAHIBO-UHFFFAOYSA-N 2 1 361.574 3.712 20 0 FHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260403 942320016 /nfs/dbraw/zinc/32/00/16/942320016.db2.gz WUUVHRQLVYLXID-RTWAWAEBSA-N 2 1 360.542 3.635 20 0 FHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260403 942320020 /nfs/dbraw/zinc/32/00/20/942320020.db2.gz WUUVHRQLVYLXID-RTWAWAEBSA-N 2 1 360.542 3.635 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335363 /nfs/dbraw/zinc/33/53/63/942335363.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335368 /nfs/dbraw/zinc/33/53/68/942335368.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335374 /nfs/dbraw/zinc/33/53/74/942335374.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 2 1 355.570 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335378 /nfs/dbraw/zinc/33/53/78/942335378.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 3 1 355.570 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335381 /nfs/dbraw/zinc/33/53/81/942335381.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335385 /nfs/dbraw/zinc/33/53/85/942335385.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335390 /nfs/dbraw/zinc/33/53/90/942335390.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000378159094 942336104 /nfs/dbraw/zinc/33/61/04/942336104.db2.gz CJLFSICLUZYJMT-LFDQFFAPSA-N 2 1 372.553 3.633 20 0 FHADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)c2)c1 ZINC000502323219 942353710 /nfs/dbraw/zinc/35/37/10/942353710.db2.gz VCONZJXOXLYPLL-IBGZPJMESA-N 2 1 361.493 3.785 20 0 FHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042654 942389307 /nfs/dbraw/zinc/38/93/07/942389307.db2.gz XDDCTPMELMMYIN-SIKLNZKXSA-N 2 1 356.485 3.751 20 0 FHADMP [NH3+]CCCCCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378203386 942393239 /nfs/dbraw/zinc/39/32/39/942393239.db2.gz QDNGSWAFAISLPS-RTWAWAEBSA-N 2 1 357.542 3.551 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccnn2C)c1 ZINC000549401560 942415668 /nfs/dbraw/zinc/41/56/68/942415668.db2.gz MPQZDQNWTPNUPW-FQEVSTJZSA-N 2 1 352.526 3.846 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501358979 942432358 /nfs/dbraw/zinc/43/23/58/942432358.db2.gz BVYNVLISQTYFBS-FSSWDIPSSA-N 2 1 371.569 3.666 20 0 FHADMP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513714030 942461470 /nfs/dbraw/zinc/46/14/70/942461470.db2.gz XBVDWLHZPIQLRU-XKCSPQBFSA-N 2 1 366.553 3.763 20 0 FHADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000501460415 942494817 /nfs/dbraw/zinc/49/48/17/942494817.db2.gz GIXAPRVDCSDSES-XUHKYYRBSA-N 2 1 350.506 3.563 20 0 FHADMP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000501460415 942494819 /nfs/dbraw/zinc/49/48/19/942494819.db2.gz GIXAPRVDCSDSES-XUHKYYRBSA-N 2 1 350.506 3.563 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000421363605 942515396 /nfs/dbraw/zinc/51/53/96/942515396.db2.gz QGIFDCPHJHNBCU-DOTOQJQBSA-N 2 1 370.497 3.518 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4nc(C)ccc4c3)CC2)CC1 ZINC000421366678 942517321 /nfs/dbraw/zinc/51/73/21/942517321.db2.gz DCMFDEZNHZWLEU-UHFFFAOYSA-N 2 1 366.553 3.535 20 0 FHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000513819157 942537364 /nfs/dbraw/zinc/53/73/64/942537364.db2.gz QVLPVNSBAGEIII-QZTJIDSGSA-N 2 1 357.567 3.892 20 0 FHADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414839151 942548886 /nfs/dbraw/zinc/54/88/86/942548886.db2.gz LWPINKBLOZOPPT-NSHDSACASA-N 2 1 354.317 3.518 20 0 FHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCCC[NH3+])n1 ZINC000420231384 942581106 /nfs/dbraw/zinc/58/11/06/942581106.db2.gz JYGJWRQWYCDGDM-UHFFFAOYSA-N 2 1 355.511 3.571 20 0 FHADMP C[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@H]1[NH3+] ZINC000420287544 942606312 /nfs/dbraw/zinc/60/63/12/942606312.db2.gz IDFBTUOGKUWPLS-IUODEOHRSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@H]1[NH3+] ZINC000420287544 942606318 /nfs/dbraw/zinc/60/63/18/942606318.db2.gz IDFBTUOGKUWPLS-IUODEOHRSA-N 2 1 360.914 3.885 20 0 FHADMP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299282 942609699 /nfs/dbraw/zinc/60/96/99/942609699.db2.gz IQDRXFVJICJMRT-CJNGLKHVSA-N 2 1 353.304 3.594 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302353 942610912 /nfs/dbraw/zinc/61/09/12/942610912.db2.gz JSNZCQMQGUPUPP-ICSRJNTNSA-N 2 1 370.493 3.592 20 0 FHADMP Clc1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000420301766 942611338 /nfs/dbraw/zinc/61/13/38/942611338.db2.gz AYJDLHFVXSCNIQ-IBGZPJMESA-N 2 1 359.901 3.758 20 0 FHADMP Clc1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000420301766 942611341 /nfs/dbraw/zinc/61/13/41/942611341.db2.gz AYJDLHFVXSCNIQ-IBGZPJMESA-N 2 1 359.901 3.758 20 0 FHADMP Cc1ccc(C)c(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420312105 942616114 /nfs/dbraw/zinc/61/61/14/942616114.db2.gz OHVACESFOXZVGZ-NRFANRHFSA-N 2 1 353.510 3.722 20 0 FHADMP Cc1ccc(C)c(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420312105 942616119 /nfs/dbraw/zinc/61/61/19/942616119.db2.gz OHVACESFOXZVGZ-NRFANRHFSA-N 2 1 353.510 3.722 20 0 FHADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000420311029 942616212 /nfs/dbraw/zinc/61/62/12/942616212.db2.gz VSIQOCDVIHLLMN-DOMZBBRYSA-N 2 1 355.345 3.917 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000420317160 942618871 /nfs/dbraw/zinc/61/88/71/942618871.db2.gz NLSIMWQWMNIRSQ-CYBMUJFWSA-N 2 1 369.328 3.694 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000420317160 942618875 /nfs/dbraw/zinc/61/88/75/942618875.db2.gz NLSIMWQWMNIRSQ-CYBMUJFWSA-N 2 1 369.328 3.694 20 0 FHADMP CCc1ccccc1C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420320102 942621357 /nfs/dbraw/zinc/62/13/57/942621357.db2.gz YHESSTQMAHTRRY-FQEVSTJZSA-N 2 1 352.526 3.610 20 0 FHADMP CCc1ccccc1C[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420320102 942621360 /nfs/dbraw/zinc/62/13/60/942621360.db2.gz YHESSTQMAHTRRY-FQEVSTJZSA-N 2 1 352.526 3.610 20 0 FHADMP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000420344459 942625996 /nfs/dbraw/zinc/62/59/96/942625996.db2.gz SUTSCRDTFFSTAV-PKOBYXMFSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000420344459 942626004 /nfs/dbraw/zinc/62/60/04/942626004.db2.gz SUTSCRDTFFSTAV-PKOBYXMFSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000420344457 942626203 /nfs/dbraw/zinc/62/62/03/942626203.db2.gz SUTSCRDTFFSTAV-MJGOQNOKSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000420344457 942626207 /nfs/dbraw/zinc/62/62/07/942626207.db2.gz SUTSCRDTFFSTAV-MJGOQNOKSA-N 2 1 351.494 3.741 20 0 FHADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420363065 942640209 /nfs/dbraw/zinc/64/02/09/942640209.db2.gz NRWSAEHXCUHAJX-UXHICEINSA-N 2 1 371.569 3.625 20 0 FHADMP CCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385022 942649116 /nfs/dbraw/zinc/64/91/16/942649116.db2.gz FBSFFXVHMIOXKC-FPOVZHCZSA-N 2 1 365.521 3.657 20 0 FHADMP CCN(C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385022 942649118 /nfs/dbraw/zinc/64/91/18/942649118.db2.gz FBSFFXVHMIOXKC-FPOVZHCZSA-N 2 1 365.521 3.657 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420386322 942649443 /nfs/dbraw/zinc/64/94/43/942649443.db2.gz FOMATCQULKKXSJ-YJBOKZPZSA-N 2 1 356.466 3.574 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420386322 942649448 /nfs/dbraw/zinc/64/94/48/942649448.db2.gz FOMATCQULKKXSJ-YJBOKZPZSA-N 2 1 356.466 3.574 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397692 942658008 /nfs/dbraw/zinc/65/80/08/942658008.db2.gz PDRQMOUZDVYPNY-QIJUGHKUSA-N 2 1 365.521 3.631 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397692 942658014 /nfs/dbraw/zinc/65/80/14/942658014.db2.gz PDRQMOUZDVYPNY-QIJUGHKUSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397692 942658018 /nfs/dbraw/zinc/65/80/18/942658018.db2.gz PDRQMOUZDVYPNY-QIJUGHKUSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397692 942658020 /nfs/dbraw/zinc/65/80/20/942658020.db2.gz PDRQMOUZDVYPNY-QIJUGHKUSA-N 2 1 365.521 3.631 20 0 FHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406027 942663389 /nfs/dbraw/zinc/66/33/89/942663389.db2.gz NIBKMQDWNKNVFW-MBOZVWFJSA-N 2 1 351.494 3.917 20 0 FHADMP COc1cc(CCC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000502706441 942672368 /nfs/dbraw/zinc/67/23/68/942672368.db2.gz QPTSODYPBFEFKD-FQEVSTJZSA-N 2 1 360.542 3.833 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000501821564 942689103 /nfs/dbraw/zinc/68/91/03/942689103.db2.gz NILSZVUJKGIZBI-UHFFFAOYSA-N 2 1 354.485 3.578 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C3CCCC3)c2)[C@@H](C)C1 ZINC000502722776 942695173 /nfs/dbraw/zinc/69/51/73/942695173.db2.gz PQCIBPNJQIZGIR-UEXGIBASSA-N 2 1 362.562 3.786 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C3CCCC3)c2)[C@@H](C)C1 ZINC000502722776 942695179 /nfs/dbraw/zinc/69/51/79/942695179.db2.gz PQCIBPNJQIZGIR-UEXGIBASSA-N 2 1 362.562 3.786 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@H+]1Cc1ccccc1 ZINC000893227561 942726395 /nfs/dbraw/zinc/72/63/95/942726395.db2.gz ZRPQBTSETKSHBC-NVXWUHKLSA-N 2 1 356.539 3.806 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@H+]1Cc1ccccc1 ZINC000893227558 942726724 /nfs/dbraw/zinc/72/67/24/942726724.db2.gz ZRPQBTSETKSHBC-DOTOQJQBSA-N 2 1 356.539 3.806 20 0 FHADMP CN(CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)CC(F)(F)F ZINC000514086969 942737211 /nfs/dbraw/zinc/73/72/11/942737211.db2.gz DWULZQYRPGEROY-UHFFFAOYSA-N 2 1 371.491 3.903 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000514090000 942740797 /nfs/dbraw/zinc/74/07/97/942740797.db2.gz SGLQULBSAJBQEG-QHAWAJNXSA-N 2 1 351.494 3.623 20 0 FHADMP Cc1ccc2ncc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2c1 ZINC000514099670 942759019 /nfs/dbraw/zinc/75/90/19/942759019.db2.gz PTUMZLNNQKIZJR-UHFFFAOYSA-N 2 1 362.521 3.987 20 0 FHADMP COc1ccc([C@H](C)C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000378457467 942790902 /nfs/dbraw/zinc/79/09/02/942790902.db2.gz VSYOQRNOMHZDCM-LJQANCHMSA-N 3 1 373.585 3.585 20 0 FHADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@@H]2CCCO2)cc1)C[C@@H]1CCCO1 ZINC000514198616 942808694 /nfs/dbraw/zinc/80/86/94/942808694.db2.gz DUIDPJBUFSXPHO-VXKWHMMOSA-N 2 1 360.542 3.688 20 0 FHADMP Cc1nccn1CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868773 942814918 /nfs/dbraw/zinc/81/49/18/942814918.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 2 1 366.553 3.960 20 0 FHADMP Cc1nccn1CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000502868773 942814923 /nfs/dbraw/zinc/81/49/23/942814923.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 2 1 366.553 3.960 20 0 FHADMP Cc1nccn1CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000502868773 942814930 /nfs/dbraw/zinc/81/49/30/942814930.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 2 1 366.553 3.960 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000421884109 942864381 /nfs/dbraw/zinc/86/43/81/942864381.db2.gz UAWIPUQSGXKJFO-GPVXHPMSSA-N 3 1 355.570 3.892 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000421884109 942864388 /nfs/dbraw/zinc/86/43/88/942864388.db2.gz UAWIPUQSGXKJFO-GPVXHPMSSA-N 2 1 355.570 3.892 20 0 FHADMP COC1([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421871212 942869561 /nfs/dbraw/zinc/86/95/61/942869561.db2.gz TVNJBTHQLHECTA-KMFTYDHNSA-N 2 1 360.542 3.603 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000430087068 942882009 /nfs/dbraw/zinc/88/20/09/942882009.db2.gz FZXFJBAGSZOLNU-JOCHJYFZSA-N 2 1 364.537 3.807 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000430087068 942882010 /nfs/dbraw/zinc/88/20/10/942882010.db2.gz FZXFJBAGSZOLNU-JOCHJYFZSA-N 2 1 364.537 3.807 20 0 FHADMP CN(c1ccccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC000430092978 942906203 /nfs/dbraw/zinc/90/62/03/942906203.db2.gz DIXLVAMWFOSYPJ-UXHICEINSA-N 2 1 363.496 3.694 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000273245717 942916854 /nfs/dbraw/zinc/91/68/54/942916854.db2.gz ZMNMTWZDJDUJBY-QGZVFWFLSA-N 2 1 370.493 3.541 20 0 FHADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000503051169 942926842 /nfs/dbraw/zinc/92/68/42/942926842.db2.gz HMCWOUFNTKUNLK-LJQANCHMSA-N 2 1 361.533 3.858 20 0 FHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115954 942928492 /nfs/dbraw/zinc/92/84/92/942928492.db2.gz HDKLWEYTKJVOAH-SJBKTWHCSA-N 2 1 357.586 3.807 20 0 FHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115954 942928499 /nfs/dbraw/zinc/92/84/99/942928499.db2.gz HDKLWEYTKJVOAH-SJBKTWHCSA-N 2 1 357.586 3.807 20 0 FHADMP C[C@@H]1C[C@@H]1[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115954 942928502 /nfs/dbraw/zinc/92/85/02/942928502.db2.gz HDKLWEYTKJVOAH-SJBKTWHCSA-N 2 1 357.586 3.807 20 0 FHADMP CC(C)N(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000434745675 942937022 /nfs/dbraw/zinc/93/70/22/942937022.db2.gz GZJDGBLXBIXSLD-UHFFFAOYSA-N 2 1 372.557 3.578 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000503072748 942956609 /nfs/dbraw/zinc/95/66/09/942956609.db2.gz JLIXRBNYBPCYEK-OAQYLSRUSA-N 2 1 350.441 3.955 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000503072748 942956614 /nfs/dbraw/zinc/95/66/14/942956614.db2.gz JLIXRBNYBPCYEK-OAQYLSRUSA-N 2 1 350.441 3.955 20 0 FHADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079478 942962736 /nfs/dbraw/zinc/96/27/36/942962736.db2.gz DSMPWHUNHVGMBM-FGZHOGPDSA-N 2 1 365.521 3.518 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079478 942962742 /nfs/dbraw/zinc/96/27/42/942962742.db2.gz DSMPWHUNHVGMBM-FGZHOGPDSA-N 2 1 365.521 3.518 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079478 942962747 /nfs/dbraw/zinc/96/27/47/942962747.db2.gz DSMPWHUNHVGMBM-FGZHOGPDSA-N 2 1 365.521 3.518 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000503079478 942962753 /nfs/dbraw/zinc/96/27/53/942962753.db2.gz DSMPWHUNHVGMBM-FGZHOGPDSA-N 2 1 365.521 3.518 20 0 FHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OCC(F)(F)F ZINC000414855251 942980507 /nfs/dbraw/zinc/98/05/07/942980507.db2.gz WKZYADFLASYQSZ-HNNXBMFYSA-N 2 1 360.420 3.634 20 0 FHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856447 943003049 /nfs/dbraw/zinc/00/30/49/943003049.db2.gz ZDOUFWFRIYXZJS-DNVCBOLYSA-N 2 1 365.949 3.574 20 0 FHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000271861047 943061904 /nfs/dbraw/zinc/06/19/04/943061904.db2.gz KMQCDBFXDXUDCC-QFBILLFUSA-N 2 1 362.489 3.686 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000643376828 943093771 /nfs/dbraw/zinc/09/37/71/943093771.db2.gz NBRQAYWQBGXFTN-QHCPKHFHSA-N 2 1 350.506 3.597 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272161663 943103280 /nfs/dbraw/zinc/10/32/80/943103280.db2.gz HUSUFSNTASSFCZ-GOSISDBHSA-N 2 1 359.558 3.721 20 0 FHADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc2)c1 ZINC000414654716 943115904 /nfs/dbraw/zinc/11/59/04/943115904.db2.gz GMAOSIVRISXIRA-BTYIYWSLSA-N 2 1 356.466 3.665 20 0 FHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656490 943117298 /nfs/dbraw/zinc/11/72/98/943117298.db2.gz FVTAZRCOBPBSJB-YJBOKZPZSA-N 2 1 358.457 3.582 20 0 FHADMP CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1OCC ZINC000435054577 943127663 /nfs/dbraw/zinc/12/76/63/943127663.db2.gz CVKXHNNSMDSYIV-LJQANCHMSA-N 2 1 356.466 3.922 20 0 FHADMP CCCOc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1OCC ZINC000435054577 943127667 /nfs/dbraw/zinc/12/76/67/943127667.db2.gz CVKXHNNSMDSYIV-LJQANCHMSA-N 2 1 356.466 3.922 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272281174 943128662 /nfs/dbraw/zinc/12/86/62/943128662.db2.gz ADKXGSGLOZPSCO-JTJHWIPRSA-N 2 1 350.510 3.583 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000435056776 943130061 /nfs/dbraw/zinc/13/00/61/943130061.db2.gz NHXPDBVPBAOMAW-OAQYLSRUSA-N 2 1 353.510 3.693 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000435056776 943130063 /nfs/dbraw/zinc/13/00/63/943130063.db2.gz NHXPDBVPBAOMAW-OAQYLSRUSA-N 2 1 353.510 3.693 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000435056776 943130067 /nfs/dbraw/zinc/13/00/67/943130067.db2.gz NHXPDBVPBAOMAW-OAQYLSRUSA-N 2 1 353.510 3.693 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000435056776 943130069 /nfs/dbraw/zinc/13/00/69/943130069.db2.gz NHXPDBVPBAOMAW-OAQYLSRUSA-N 2 1 353.510 3.693 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000236844713 943139338 /nfs/dbraw/zinc/13/93/38/943139338.db2.gz ZHEBTDNTWICDMN-UHFFFAOYSA-N 2 1 362.521 3.595 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000514633464 943164115 /nfs/dbraw/zinc/16/41/15/943164115.db2.gz FADBXQDANVSGTK-UHFFFAOYSA-N 2 1 367.449 3.760 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000514633464 943164119 /nfs/dbraw/zinc/16/41/19/943164119.db2.gz FADBXQDANVSGTK-UHFFFAOYSA-N 2 1 367.449 3.760 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665888 943165314 /nfs/dbraw/zinc/16/53/14/943165314.db2.gz VSJUZYOBYBZQDI-AEFFLSMTSA-N 2 1 354.494 3.930 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665893 943165417 /nfs/dbraw/zinc/16/54/17/943165417.db2.gz VSJUZYOBYBZQDI-SJLPKXTDSA-N 2 1 354.494 3.930 20 0 FHADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435125164 943180036 /nfs/dbraw/zinc/18/00/36/943180036.db2.gz VWRULHHIAVHALG-SFHVURJKSA-N 2 1 350.466 3.624 20 0 FHADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435125164 943180041 /nfs/dbraw/zinc/18/00/41/943180041.db2.gz VWRULHHIAVHALG-SFHVURJKSA-N 2 1 350.466 3.624 20 0 FHADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435125164 943180043 /nfs/dbraw/zinc/18/00/43/943180043.db2.gz VWRULHHIAVHALG-SFHVURJKSA-N 2 1 350.466 3.624 20 0 FHADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435125164 943180049 /nfs/dbraw/zinc/18/00/49/943180049.db2.gz VWRULHHIAVHALG-SFHVURJKSA-N 2 1 350.466 3.624 20 0 FHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2C1 ZINC000514659168 943188157 /nfs/dbraw/zinc/18/81/57/943188157.db2.gz ONWNVHKGNDXKFM-SFHVURJKSA-N 2 1 373.566 3.568 20 0 FHADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2C1 ZINC000514659168 943188162 /nfs/dbraw/zinc/18/81/62/943188162.db2.gz ONWNVHKGNDXKFM-SFHVURJKSA-N 2 1 373.566 3.568 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636171 943215914 /nfs/dbraw/zinc/21/59/14/943215914.db2.gz MOCKVJNSPDNZFR-HBFSDRIKSA-N 2 1 365.521 3.987 20 0 FHADMP CCOc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000422694743 943234195 /nfs/dbraw/zinc/23/41/95/943234195.db2.gz OLFPTJQACBUAFD-RHSMWYFYSA-N 2 1 364.436 3.735 20 0 FHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422699335 943237555 /nfs/dbraw/zinc/23/75/55/943237555.db2.gz AKICCFXVIXIGAF-IRXDYDNUSA-N 2 1 371.481 3.641 20 0 FHADMP c1[nH+]cn2ccc(-c3noc([C@H]4CCC[N@H+](Cc5ccccc5)C4)n3)cc12 ZINC000514710296 943238706 /nfs/dbraw/zinc/23/87/06/943238706.db2.gz NPOABXVGMCCFPT-SFHVURJKSA-N 2 1 359.433 3.764 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000511591782 943248300 /nfs/dbraw/zinc/24/83/00/943248300.db2.gz KESKHYYNBMEMFO-UHFFFAOYSA-N 2 1 351.579 3.512 20 0 FHADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713380 943253864 /nfs/dbraw/zinc/25/38/64/943253864.db2.gz JOIXIEWTJPORLM-MYDTUXCISA-N 2 1 373.585 3.596 20 0 FHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422715897 943254823 /nfs/dbraw/zinc/25/48/23/943254823.db2.gz SUXZPLPOMNPYIA-HKUYNNGSSA-N 2 1 366.509 3.734 20 0 FHADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000416969632 943263132 /nfs/dbraw/zinc/26/31/32/943263132.db2.gz CDYADCPZYHHTDB-RXVVDRJESA-N 2 1 374.573 3.576 20 0 FHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416982946 943267658 /nfs/dbraw/zinc/26/76/58/943267658.db2.gz WPFDQINWMFAVAV-WIYYLYMNSA-N 2 1 374.573 3.576 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422747689 943270412 /nfs/dbraw/zinc/27/04/12/943270412.db2.gz ZJWPDQUNWOKKTF-GOSISDBHSA-N 2 1 366.553 3.931 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422757125 943273717 /nfs/dbraw/zinc/27/37/17/943273717.db2.gz IDYDLCFGJSNIER-SPUZQDLCSA-N 2 1 355.448 3.558 20 0 FHADMP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422778439 943279899 /nfs/dbraw/zinc/27/98/99/943279899.db2.gz AOPBCYURBMOIRG-OXTHUFEASA-N 2 1 356.441 3.741 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764327 943284754 /nfs/dbraw/zinc/28/47/54/943284754.db2.gz PWNHAOKXVUMNDT-KMCQBPLKSA-N 2 1 357.464 3.804 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764327 943284758 /nfs/dbraw/zinc/28/47/58/943284758.db2.gz PWNHAOKXVUMNDT-KMCQBPLKSA-N 2 1 357.464 3.804 20 0 FHADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422794370 943285729 /nfs/dbraw/zinc/28/57/29/943285729.db2.gz UFOOBVVSPOOUGN-VQTJNVASSA-N 2 1 350.441 3.648 20 0 FHADMP Brc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422788961 943293450 /nfs/dbraw/zinc/29/34/50/943293450.db2.gz WGMQVELOTCAHPF-MJGOQNOKSA-N 2 1 373.294 3.795 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828862 943298135 /nfs/dbraw/zinc/29/81/35/943298135.db2.gz BNJRPZQZGLDKLH-GFOJFJKKSA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828862 943298143 /nfs/dbraw/zinc/29/81/43/943298143.db2.gz BNJRPZQZGLDKLH-GFOJFJKKSA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828862 943298148 /nfs/dbraw/zinc/29/81/48/943298148.db2.gz BNJRPZQZGLDKLH-GFOJFJKKSA-N 2 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828862 943298154 /nfs/dbraw/zinc/29/81/54/943298154.db2.gz BNJRPZQZGLDKLH-GFOJFJKKSA-N 2 1 361.599 3.861 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422893310 943330471 /nfs/dbraw/zinc/33/04/71/943330471.db2.gz PZRBYFFTBREPPR-FGZHOGPDSA-N 3 1 353.510 3.642 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422895864 943331609 /nfs/dbraw/zinc/33/16/09/943331609.db2.gz XBFABDXLGWIHLI-RXVVDRJESA-N 2 1 352.526 3.510 20 0 FHADMP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422927544 943334603 /nfs/dbraw/zinc/33/46/03/943334603.db2.gz GRBYSPWAERFEBG-HLIPFELVSA-N 2 1 356.853 3.619 20 0 FHADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422935529 943337609 /nfs/dbraw/zinc/33/76/09/943337609.db2.gz ARHWCGZOLBCARF-GXFFZTMASA-N 2 1 363.246 3.528 20 0 FHADMP C[C@H](CC[N@H+]1CC[C@H](c2ccncc2)C1)[NH+]1CC[C@H](c2ccncc2)C1 ZINC000584662849 943339980 /nfs/dbraw/zinc/33/99/80/943339980.db2.gz MWSVKRRENFQTHX-COPCDDAFSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@H](c2ccncc2)C1)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000584662849 943339984 /nfs/dbraw/zinc/33/99/84/943339984.db2.gz MWSVKRRENFQTHX-COPCDDAFSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H](CC[NH+]1CC[C@H](c2ccncc2)C1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000584662849 943339989 /nfs/dbraw/zinc/33/99/89/943339989.db2.gz MWSVKRRENFQTHX-COPCDDAFSA-N 2 1 350.510 3.534 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414705559 943340063 /nfs/dbraw/zinc/34/00/63/943340063.db2.gz FLRKXWROBXMZID-IRXDYDNUSA-N 2 1 358.530 3.652 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCCC1 ZINC000414706654 943348569 /nfs/dbraw/zinc/34/85/69/943348569.db2.gz GUJZMUOEVQBLPE-AZUAARDMSA-N 2 1 370.541 3.667 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000414706661 943348611 /nfs/dbraw/zinc/34/86/11/943348611.db2.gz GUJZMUOEVQBLPE-UYAOXDASSA-N 2 1 370.541 3.667 20 0 FHADMP C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000414709481 943354768 /nfs/dbraw/zinc/35/47/68/943354768.db2.gz JZJAROZSANBOKK-PKOBYXMFSA-N 2 1 372.557 3.900 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)c2ccccc21 ZINC000423007257 943363065 /nfs/dbraw/zinc/36/30/65/943363065.db2.gz XFEULIGQXBZECN-QZTJIDSGSA-N 2 1 350.384 4.000 20 0 FHADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423012602 943364962 /nfs/dbraw/zinc/36/49/62/943364962.db2.gz LEAXODMZVHNUEL-HAGHYFMRSA-N 2 1 359.876 3.959 20 0 FHADMP C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000414711765 943365291 /nfs/dbraw/zinc/36/52/91/943365291.db2.gz MXZKTSIIFFTEIV-QFBILLFUSA-N 2 1 358.530 3.652 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435372758 943365510 /nfs/dbraw/zinc/36/55/10/943365510.db2.gz KTNIWCYKNBUGAI-QGZVFWFLSA-N 2 1 360.933 3.633 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435372758 943365515 /nfs/dbraw/zinc/36/55/15/943365515.db2.gz KTNIWCYKNBUGAI-QGZVFWFLSA-N 2 1 360.933 3.633 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000435378121 943366932 /nfs/dbraw/zinc/36/69/32/943366932.db2.gz CCJIJXCSCRHHAG-JQHSSLGASA-N 2 1 358.507 3.505 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435379130 943368766 /nfs/dbraw/zinc/36/87/66/943368766.db2.gz LBTCEFABCXZWSA-RHSMWYFYSA-N 2 1 360.933 3.761 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OCc1ccccc1 ZINC000435380357 943369087 /nfs/dbraw/zinc/36/90/87/943369087.db2.gz NUNWBAHYIHMXBV-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OCc1ccccc1 ZINC000435380357 943369093 /nfs/dbraw/zinc/36/90/93/943369093.db2.gz NUNWBAHYIHMXBV-HXUWFJFHSA-N 2 1 354.494 3.706 20 0 FHADMP C[N@H+]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022948 943369358 /nfs/dbraw/zinc/36/93/58/943369358.db2.gz ISHIISYELWPADL-ZWQIFLOQSA-N 2 1 353.913 3.722 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381307 943369445 /nfs/dbraw/zinc/36/94/45/943369445.db2.gz WANPPBVHMPHMRU-SJLPKXTDSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022898 943369623 /nfs/dbraw/zinc/36/96/23/943369623.db2.gz IMYLTRKAPRGFRW-KNEBKQPDSA-N 2 1 353.913 3.592 20 0 FHADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049580 943383865 /nfs/dbraw/zinc/38/38/65/943383865.db2.gz KGUIJDUFKNLBGU-NCXUSEDFSA-N 2 1 369.475 3.818 20 0 FHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423101869 943394635 /nfs/dbraw/zinc/39/46/35/943394635.db2.gz DJWUDXVTZDRFED-VNTMZGSJSA-N 2 1 350.934 3.826 20 0 FHADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423100792 943394736 /nfs/dbraw/zinc/39/47/36/943394736.db2.gz BXSPRSSCPUBTEX-BPLDGKMQSA-N 2 1 358.404 3.604 20 0 FHADMP CCn1ccnc1C[N@@H+](C[C@@H](C)Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433254 943396754 /nfs/dbraw/zinc/39/67/54/943396754.db2.gz MZONXZCELNCORC-PZJWPPBQSA-N 2 1 366.553 3.726 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423120444 943397271 /nfs/dbraw/zinc/39/72/71/943397271.db2.gz GRQJFVBKRZMEML-IPELMVKDSA-N 2 1 350.428 3.956 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122572 943397661 /nfs/dbraw/zinc/39/76/61/943397661.db2.gz KAIPUXBCPBOAKT-YSFYHYPLSA-N 2 1 359.558 3.587 20 0 FHADMP CSc1cccc(F)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112831 943405853 /nfs/dbraw/zinc/40/58/53/943405853.db2.gz YCFCOJWUCYUUFK-FXAWDEMLSA-N 2 1 358.482 3.893 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440498 943417995 /nfs/dbraw/zinc/41/79/95/943417995.db2.gz XCPHJUQXUJSFQC-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440498 943417997 /nfs/dbraw/zinc/41/79/97/943417997.db2.gz XCPHJUQXUJSFQC-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423143893 943419073 /nfs/dbraw/zinc/41/90/73/943419073.db2.gz FJZQEBIXXUZZLP-BQJUDKOJSA-N 2 1 361.599 3.912 20 0 FHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423180366 943429242 /nfs/dbraw/zinc/42/92/42/943429242.db2.gz AZJWEGJMONGVAL-QGZVFWFLSA-N 2 1 364.415 3.642 20 0 FHADMP Brc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191172 943437146 /nfs/dbraw/zinc/43/71/46/943437146.db2.gz SIUOWKDYRTWQFP-IBGZPJMESA-N 2 1 374.326 3.991 20 0 FHADMP C[C@@H](CC[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000514991116 943437798 /nfs/dbraw/zinc/43/77/98/943437798.db2.gz BOVOVAGUDIBNEW-AZUAARDMSA-N 2 1 357.567 3.820 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215905 943446376 /nfs/dbraw/zinc/44/63/76/943446376.db2.gz PDADYADARLAQSS-XWFWWPBSSA-N 3 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215905 943446380 /nfs/dbraw/zinc/44/63/80/943446380.db2.gz PDADYADARLAQSS-XWFWWPBSSA-N 2 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215905 943446386 /nfs/dbraw/zinc/44/63/86/943446386.db2.gz PDADYADARLAQSS-XWFWWPBSSA-N 2 1 353.554 3.550 20 0 FHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1ccc(F)cc1 ZINC000423292653 943466021 /nfs/dbraw/zinc/46/60/21/943466021.db2.gz NTEQMEGGFBQELW-UONOGXRCSA-N 2 1 353.445 3.585 20 0 FHADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423310375 943472024 /nfs/dbraw/zinc/47/20/24/943472024.db2.gz ADWHHJZMLZKHBC-SDBXPKJASA-N 2 1 351.210 3.856 20 0 FHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300507 943476546 /nfs/dbraw/zinc/47/65/46/943476546.db2.gz FAJPQXJRVQLHRU-JTQLQIEISA-N 2 1 366.328 3.751 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423326944 943481355 /nfs/dbraw/zinc/48/13/55/943481355.db2.gz NDKGNPLCMYVOJF-SFHVURJKSA-N 2 1 354.498 3.772 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000584718724 943482079 /nfs/dbraw/zinc/48/20/79/943482079.db2.gz ZNFGLYICBBXVFM-NPPFBWRTSA-N 2 1 365.521 3.831 20 0 FHADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370962 943485676 /nfs/dbraw/zinc/48/56/76/943485676.db2.gz GEAHFODCFPGGBP-QGZVFWFLSA-N 2 1 361.258 3.969 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000164035383 943488071 /nfs/dbraw/zinc/48/80/71/943488071.db2.gz GMYMJOPFONUKQV-UWVAXJGDSA-N 2 1 369.509 3.803 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000164035383 943488075 /nfs/dbraw/zinc/48/80/75/943488075.db2.gz GMYMJOPFONUKQV-UWVAXJGDSA-N 2 1 369.509 3.803 20 0 FHADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000423354652 943488320 /nfs/dbraw/zinc/48/83/20/943488320.db2.gz NTCYVMPDJSGPKD-UWJYYQICSA-N 2 1 359.558 3.687 20 0 FHADMP CSCC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423357418 943489684 /nfs/dbraw/zinc/48/96/84/943489684.db2.gz AKEKDBMXKPKMRY-UGSUZCALSA-N 2 1 354.510 3.922 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423381784 943495974 /nfs/dbraw/zinc/49/59/74/943495974.db2.gz OOWFCKNJONOSDA-GMTAPVOTSA-N 2 1 350.356 3.681 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423381787 943496027 /nfs/dbraw/zinc/49/60/27/943496027.db2.gz OOWFCKNJONOSDA-VWYCJHECSA-N 2 1 350.356 3.681 20 0 FHADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000423446850 943513539 /nfs/dbraw/zinc/51/35/39/943513539.db2.gz ZFXSIQTUUSKQQL-WVWOOGAGSA-N 2 1 363.221 3.726 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000423426951 943515315 /nfs/dbraw/zinc/51/53/15/943515315.db2.gz PYPMJMVQMNXKKB-FNHZYXHNSA-N 2 1 357.523 3.581 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000423426953 943515449 /nfs/dbraw/zinc/51/54/49/943515449.db2.gz PYPMJMVQMNXKKB-UCLAIMLFSA-N 2 1 357.523 3.581 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000513809420 943519870 /nfs/dbraw/zinc/51/98/70/943519870.db2.gz KHLIBKGIIXSQAH-HXUWFJFHSA-N 2 1 359.558 3.626 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423464296 943523173 /nfs/dbraw/zinc/52/31/73/943523173.db2.gz QRLJBXCRTPXAFK-MDDYHTHFSA-N 2 1 353.554 3.535 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423464296 943523175 /nfs/dbraw/zinc/52/31/75/943523175.db2.gz QRLJBXCRTPXAFK-MDDYHTHFSA-N 2 1 353.554 3.535 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345506 943532668 /nfs/dbraw/zinc/53/26/68/943532668.db2.gz SBNONAKCIFKJFB-MVJPYGJCSA-N 2 1 356.535 3.597 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@H]3C2)cc1 ZINC000423540992 943551645 /nfs/dbraw/zinc/55/16/45/943551645.db2.gz KIPNJGPAXQTHOE-IPJQNIFZSA-N 3 1 367.581 3.655 20 0 FHADMP NC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000423578172 943562291 /nfs/dbraw/zinc/56/22/91/943562291.db2.gz UASKEFGGQPEWHM-HXUWFJFHSA-N 2 1 371.475 3.535 20 0 FHADMP COc1cc(C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751693 943562916 /nfs/dbraw/zinc/56/29/16/943562916.db2.gz SXLIIHVCAGFMNC-UKRRQHHQSA-N 2 1 354.441 3.649 20 0 FHADMP Cc1ncsc1C[N@H+](CCc1c(F)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000435733090 943574699 /nfs/dbraw/zinc/57/46/99/943574699.db2.gz AHGNDJGREAPQFI-AWEZNQCLSA-N 2 1 367.921 3.898 20 0 FHADMP Cc1ncsc1C[N@@H+](CCc1c(F)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000435733090 943574703 /nfs/dbraw/zinc/57/47/03/943574703.db2.gz AHGNDJGREAPQFI-AWEZNQCLSA-N 2 1 367.921 3.898 20 0 FHADMP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414756049 943594228 /nfs/dbraw/zinc/59/42/28/943594228.db2.gz QBIINMPUWBKEQH-AZUAARDMSA-N 2 1 353.510 3.523 20 0 FHADMP CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000504421751 943624816 /nfs/dbraw/zinc/62/48/16/943624816.db2.gz LGUPIIXWYZACCP-GOSISDBHSA-N 2 1 369.513 3.518 20 0 FHADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000504421751 943624818 /nfs/dbraw/zinc/62/48/18/943624818.db2.gz LGUPIIXWYZACCP-GOSISDBHSA-N 2 1 369.513 3.518 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423904805 943643863 /nfs/dbraw/zinc/64/38/63/943643863.db2.gz ORBRQWSYDIFYSP-BJLQDIEVSA-N 2 1 365.521 3.737 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424111154 943736021 /nfs/dbraw/zinc/73/60/21/943736021.db2.gz FVNCHMAPUXLHMW-XLIONFOSSA-N 2 1 357.542 3.550 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC12CCOCC2 ZINC000414777380 943784320 /nfs/dbraw/zinc/78/43/20/943784320.db2.gz IFDWMJJFLBGSDC-FQEVSTJZSA-N 2 1 354.469 3.680 20 0 FHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777384 943784448 /nfs/dbraw/zinc/78/44/48/943784448.db2.gz IGDBOFPNVOTSDB-CVEARBPZSA-N 2 1 358.917 3.562 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(COc3ccccc3)n1)CC[NH2+]CC2 ZINC000424287575 943819611 /nfs/dbraw/zinc/81/96/11/943819611.db2.gz JAGXYBDABQKRAX-INIZCTEOSA-N 2 1 357.523 3.686 20 0 FHADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424286581 943819823 /nfs/dbraw/zinc/81/98/23/943819823.db2.gz HGXINFUDXHQYQN-ZDUSSCGKSA-N 2 1 370.324 3.786 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn3cc(Cl)cc(Cl)c3n1)CC[NH2+]CC2 ZINC000424290403 943821511 /nfs/dbraw/zinc/82/15/11/943821511.db2.gz MMMVHFDMMITPDZ-GFCCVEGCSA-N 2 1 353.297 3.605 20 0 FHADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414905340 943822656 /nfs/dbraw/zinc/82/26/56/943822656.db2.gz ONDIULGIDPEUDV-NRFANRHFSA-N 2 1 371.529 3.940 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000424278317 943833225 /nfs/dbraw/zinc/83/32/25/943833225.db2.gz IGSCIHBITATUJB-CRAIPNDOSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279034 943833880 /nfs/dbraw/zinc/83/38/80/943833880.db2.gz JWEPIDZNDRBXRT-PKOBYXMFSA-N 2 1 359.539 3.517 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279034 943833886 /nfs/dbraw/zinc/83/38/86/943833886.db2.gz JWEPIDZNDRBXRT-PKOBYXMFSA-N 2 1 359.539 3.517 20 0 FHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000437491069 943856224 /nfs/dbraw/zinc/85/62/24/943856224.db2.gz GMCPYDHLVMZEKV-UHFFFAOYSA-N 2 1 356.514 3.586 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000437491069 943856232 /nfs/dbraw/zinc/85/62/32/943856232.db2.gz GMCPYDHLVMZEKV-UHFFFAOYSA-N 2 1 356.514 3.586 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(Cl)c1 ZINC000424359298 943864454 /nfs/dbraw/zinc/86/44/54/943864454.db2.gz YIAPDRMXZHZQLU-CQSZACIVSA-N 2 1 363.889 3.535 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000414907324 943872668 /nfs/dbraw/zinc/87/26/68/943872668.db2.gz QHROIJSGEKROJB-LJQANCHMSA-N 2 1 371.529 3.892 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785578 943880424 /nfs/dbraw/zinc/88/04/24/943880424.db2.gz SVGGZFPHGMAOOV-VQTJNVASSA-N 2 1 351.494 3.579 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCC[C@@H]1C ZINC000516979992 943881133 /nfs/dbraw/zinc/88/11/33/943881133.db2.gz UGEFMJBHTYNYIS-RXVVDRJESA-N 2 1 363.590 3.610 20 0 FHADMP Cc1ccc(OCc2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424386160 943894303 /nfs/dbraw/zinc/89/43/03/943894303.db2.gz XBIUPCGHDHFAQE-KRWDZBQOSA-N 2 1 371.550 3.995 20 0 FHADMP CC[C@@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000424428768 943922990 /nfs/dbraw/zinc/92/29/90/943922990.db2.gz UUJKBBYNEOWIHX-OAQYLSRUSA-N 2 1 366.509 3.582 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789236 943931084 /nfs/dbraw/zinc/93/10/84/943931084.db2.gz YDRJZFNWJKDFDE-RTBURBONSA-N 2 1 352.526 3.817 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1cc(C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC000436051207 943973785 /nfs/dbraw/zinc/97/37/85/943973785.db2.gz LKLCFCBKMAVEMH-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1cc(C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC000436051207 943973792 /nfs/dbraw/zinc/97/37/92/943973792.db2.gz LKLCFCBKMAVEMH-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP CCCCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000437648716 943998637 /nfs/dbraw/zinc/99/86/37/943998637.db2.gz HDPCLAAALUBVSB-NRFANRHFSA-N 2 1 374.573 3.909 20 0 FHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000505136577 944065923 /nfs/dbraw/zinc/06/59/23/944065923.db2.gz SKQZMFZIXGIEEI-SFTDATJTSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000505136577 944065930 /nfs/dbraw/zinc/06/59/30/944065930.db2.gz SKQZMFZIXGIEEI-SFTDATJTSA-N 2 1 359.558 3.524 20 0 FHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000505136577 944065940 /nfs/dbraw/zinc/06/59/40/944065940.db2.gz SKQZMFZIXGIEEI-SFTDATJTSA-N 2 1 359.558 3.524 20 0 FHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000515701246 944126178 /nfs/dbraw/zinc/12/61/78/944126178.db2.gz JSAUWRZOPFGSHP-UHFFFAOYSA-N 2 1 365.477 3.962 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436282890 944162171 /nfs/dbraw/zinc/16/21/71/944162171.db2.gz SEBPVHKAODDBIG-QZTJIDSGSA-N 2 1 358.505 3.528 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H](C)C1 ZINC000436289625 944175758 /nfs/dbraw/zinc/17/57/58/944175758.db2.gz YCEHGOHNMOGLIR-JKMAKKBCSA-N 2 1 366.496 3.937 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515756405 944184694 /nfs/dbraw/zinc/18/46/94/944184694.db2.gz BTIVLBJNHGLOOT-QZTJIDSGSA-N 2 1 359.558 3.844 20 0 FHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(OCC)c2)CC1 ZINC000101589828 944254428 /nfs/dbraw/zinc/25/44/28/944254428.db2.gz OZQTUBYJQJARJE-UHFFFAOYSA-N 2 1 374.447 3.990 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000550161450 944305827 /nfs/dbraw/zinc/30/58/27/944305827.db2.gz LTBIMNMEVQKJRQ-RTBURBONSA-N 2 1 357.542 3.593 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000473736581 944313302 /nfs/dbraw/zinc/31/33/02/944313302.db2.gz BEZSNWOCRXWPNS-WIYYLYMNSA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000473736581 944313311 /nfs/dbraw/zinc/31/33/11/944313311.db2.gz BEZSNWOCRXWPNS-WIYYLYMNSA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000473736581 944313319 /nfs/dbraw/zinc/31/33/19/944313319.db2.gz BEZSNWOCRXWPNS-WIYYLYMNSA-N 2 1 374.573 3.591 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000439091100 944329805 /nfs/dbraw/zinc/32/98/05/944329805.db2.gz YOBUMRLODZCNPE-DLBZAZTESA-N 2 1 361.530 3.959 20 0 FHADMP C[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438124129 944354618 /nfs/dbraw/zinc/35/46/18/944354618.db2.gz FKYXOESUFTYAES-FQEVSTJZSA-N 2 1 369.528 3.679 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426285651 944356634 /nfs/dbraw/zinc/35/66/34/944356634.db2.gz CIFCJCAMKWEUSV-CEWLAPEOSA-N 2 1 367.512 3.905 20 0 FHADMP CC1(C)C[N@@H+](CCCn2ccnc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835869 944378798 /nfs/dbraw/zinc/37/87/98/944378798.db2.gz MLYGZOYPMFIMKY-JOCHJYFZSA-N 2 1 366.553 3.896 20 0 FHADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)C2 ZINC000425956890 944399978 /nfs/dbraw/zinc/39/99/78/944399978.db2.gz YUDRGTWAITWZOD-GOSISDBHSA-N 2 1 365.452 3.976 20 0 FHADMP CC1(C)C[N@H+](Cc2ncccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838107 944404906 /nfs/dbraw/zinc/40/49/06/944404906.db2.gz QSQNOPXQRAGSKU-OAQYLSRUSA-N 2 1 350.510 3.599 20 0 FHADMP CC1(C)C[N@@H+](Cc2ncccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838107 944404914 /nfs/dbraw/zinc/40/49/14/944404914.db2.gz QSQNOPXQRAGSKU-OAQYLSRUSA-N 2 1 350.510 3.599 20 0 FHADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000467365831 944404892 /nfs/dbraw/zinc/40/48/92/944404892.db2.gz SCYUTLGZPCQSCN-VQTJNVASSA-N 2 1 357.542 3.651 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426306739 944408959 /nfs/dbraw/zinc/40/89/59/944408959.db2.gz LCVCFBIVUSLYQJ-CBQOVEMMSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426306739 944408964 /nfs/dbraw/zinc/40/89/64/944408964.db2.gz LCVCFBIVUSLYQJ-CBQOVEMMSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cc4ccccc4n(C)c3=O)CC2)C1 ZINC000426300793 944410881 /nfs/dbraw/zinc/41/08/81/944410881.db2.gz JJIJXLVHFAPZNV-LAUBAEHRSA-N 2 1 367.537 3.671 20 0 FHADMP O=C1CCCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167977527 944414730 /nfs/dbraw/zinc/41/47/30/944414730.db2.gz DILQPBXCHAVYRR-XDNSSPFJSA-N 2 1 367.537 3.699 20 0 FHADMP O=C1CCCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167977527 944414732 /nfs/dbraw/zinc/41/47/32/944414732.db2.gz DILQPBXCHAVYRR-XDNSSPFJSA-N 2 1 367.537 3.699 20 0 FHADMP [NH3+]C1(Cc2cccc(F)c2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977914 944433343 /nfs/dbraw/zinc/43/33/43/944433343.db2.gz JCNGJSBXQPKNEU-CBQGHPETSA-N 2 1 371.544 3.567 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426321628 944451213 /nfs/dbraw/zinc/45/12/13/944451213.db2.gz DTEQSIBLKOBRRE-HSALFYBXSA-N 2 1 353.510 3.936 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426321628 944451217 /nfs/dbraw/zinc/45/12/17/944451217.db2.gz DTEQSIBLKOBRRE-HSALFYBXSA-N 2 1 353.510 3.936 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000652075062 944571100 /nfs/dbraw/zinc/57/11/00/944571100.db2.gz YPXUCPIQGILNFT-FOIQADDNSA-N 2 1 362.477 3.608 20 0 FHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000311312508 944633783 /nfs/dbraw/zinc/63/37/83/944633783.db2.gz RRCLKOWVOYEZDV-UHFFFAOYSA-N 2 1 361.530 3.675 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C[C@@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270242 944649374 /nfs/dbraw/zinc/64/93/74/944649374.db2.gz KJWSUSWKMLNTPU-IRLDBZIGSA-N 2 1 354.538 3.861 20 0 FHADMP CC[C@H]1C[NH+](Cc2ccccc2C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470758 944649857 /nfs/dbraw/zinc/64/98/57/944649857.db2.gz DQYKDPDRTLISGP-VXKWHMMOSA-N 2 1 360.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000550273424 944665582 /nfs/dbraw/zinc/66/55/82/944665582.db2.gz PUSVGJGYNCULEQ-MJGOQNOKSA-N 2 1 354.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000550273424 944665586 /nfs/dbraw/zinc/66/55/86/944665586.db2.gz PUSVGJGYNCULEQ-MJGOQNOKSA-N 2 1 354.542 3.688 20 0 FHADMP FC(F)(F)CCC[NH+]1CC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001279109692 944676423 /nfs/dbraw/zinc/67/64/23/944676423.db2.gz HGGGLGYRJUUSNN-UHFFFAOYSA-N 2 1 366.431 3.803 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(Cl)c1 ZINC000414933242 944719284 /nfs/dbraw/zinc/71/92/84/944719284.db2.gz UFVJBRZLNYWSHZ-PBHICJAKSA-N 2 1 351.922 3.733 20 0 FHADMP Brc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961401 944753066 /nfs/dbraw/zinc/75/30/66/944753066.db2.gz JTNBLQXBVWLNRY-AYHJJNSGSA-N 2 1 363.343 3.987 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506611498 944763941 /nfs/dbraw/zinc/76/39/41/944763941.db2.gz QRDUSAHVPDRDLQ-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506611498 944763945 /nfs/dbraw/zinc/76/39/45/944763945.db2.gz QRDUSAHVPDRDLQ-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506611498 944763951 /nfs/dbraw/zinc/76/39/51/944763951.db2.gz QRDUSAHVPDRDLQ-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506611498 944763958 /nfs/dbraw/zinc/76/39/58/944763958.db2.gz QRDUSAHVPDRDLQ-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564177 944766033 /nfs/dbraw/zinc/76/60/33/944766033.db2.gz YTQFQMMRDHYURV-QFIPXVFZSA-N 3 1 371.569 3.612 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564177 944766042 /nfs/dbraw/zinc/76/60/42/944766042.db2.gz YTQFQMMRDHYURV-QFIPXVFZSA-N 3 1 371.569 3.612 20 0 FHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000438560684 944770125 /nfs/dbraw/zinc/77/01/25/944770125.db2.gz HJHKHARPUBNFMU-FXAWDEMLSA-N 2 1 357.542 3.639 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccnc(Cl)c3)CC2)oc1C ZINC000162759011 944773348 /nfs/dbraw/zinc/77/33/48/944773348.db2.gz GCCBTZKFAIPHJD-CQSZACIVSA-N 2 1 362.905 3.903 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000517899184 944791706 /nfs/dbraw/zinc/79/17/06/944791706.db2.gz NTAZHEXHCBQUQX-IBGZPJMESA-N 2 1 358.530 3.667 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000517899184 944791709 /nfs/dbraw/zinc/79/17/09/944791709.db2.gz NTAZHEXHCBQUQX-IBGZPJMESA-N 2 1 358.530 3.667 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000517899184 944791718 /nfs/dbraw/zinc/79/17/18/944791718.db2.gz NTAZHEXHCBQUQX-IBGZPJMESA-N 2 1 358.530 3.667 20 0 FHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426775171 944792086 /nfs/dbraw/zinc/79/20/86/944792086.db2.gz RPIPBHHVGZZOPB-BGYRXZFFSA-N 2 1 360.542 3.667 20 0 FHADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093593048 944795182 /nfs/dbraw/zinc/79/51/82/944795182.db2.gz FEPMZOFNAKVSEX-IBGZPJMESA-N 2 1 354.494 3.625 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445029 944824804 /nfs/dbraw/zinc/82/48/04/944824804.db2.gz KUGRDMFTRVIQLO-VQTJNVASSA-N 2 1 363.590 3.612 20 0 FHADMP Brc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c21 ZINC000297501455 944850075 /nfs/dbraw/zinc/85/00/75/944850075.db2.gz VCNCVISCQUVXOU-UHFFFAOYSA-N 2 1 362.315 3.689 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1)C1CC1 ZINC000511677894 944903911 /nfs/dbraw/zinc/90/39/11/944903911.db2.gz RQMMELLFFKUOID-MBSDFSHPSA-N 2 1 371.569 3.911 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000505937926 944944079 /nfs/dbraw/zinc/94/40/79/944944079.db2.gz ZWCTXEGBCULVGT-URVUXULASA-N 2 1 371.569 3.792 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000505937926 944944083 /nfs/dbraw/zinc/94/40/83/944944083.db2.gz ZWCTXEGBCULVGT-URVUXULASA-N 2 1 371.569 3.792 20 0 FHADMP CC(C)OCCC[NH+]1CCCC2(CCC[N@H+](CCCOC(C)C)C2)C1 ZINC000518951879 944962191 /nfs/dbraw/zinc/96/21/91/944962191.db2.gz DXBUUTXGFZNKRH-UHFFFAOYSA-N 2 1 354.579 3.795 20 0 FHADMP CC1([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC[NH2+]CC1 ZINC000414947845 944993891 /nfs/dbraw/zinc/99/38/91/944993891.db2.gz XFBKQDDGJKUEPK-UHFFFAOYSA-N 2 1 366.328 3.804 20 0 FHADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1OC(F)F ZINC000414950289 945011404 /nfs/dbraw/zinc/01/14/04/945011404.db2.gz OJABWWALYQSSJT-GWCFXTLKSA-N 2 1 363.246 3.589 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638773572 945017131 /nfs/dbraw/zinc/01/71/31/945017131.db2.gz COPPLTMWCVHWNP-WKDRNLAYSA-N 2 1 372.578 3.999 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638773572 945017147 /nfs/dbraw/zinc/01/71/47/945017147.db2.gz COPPLTMWCVHWNP-WKDRNLAYSA-N 2 1 372.578 3.999 20 0 FHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000516569756 945020277 /nfs/dbraw/zinc/02/02/77/945020277.db2.gz FZBFCVLPWMJNKP-INIZCTEOSA-N 2 1 357.885 3.763 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1 ZINC000388792738 945036002 /nfs/dbraw/zinc/03/60/02/945036002.db2.gz SARXMDLGZPETMB-BJLQDIEVSA-N 2 1 351.494 3.514 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1 ZINC000388792738 945036012 /nfs/dbraw/zinc/03/60/12/945036012.db2.gz SARXMDLGZPETMB-BJLQDIEVSA-N 2 1 351.494 3.514 20 0 FHADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414953682 945037991 /nfs/dbraw/zinc/03/79/91/945037991.db2.gz JZTNXIPORPVWCB-NHYWBVRUSA-N 2 1 366.328 3.660 20 0 FHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc3ccccc32)CC1 ZINC000516594061 945055802 /nfs/dbraw/zinc/05/58/02/945055802.db2.gz GNISBLIAWYNHIR-UHFFFAOYSA-N 2 1 361.449 3.631 20 0 FHADMP Clc1sc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400785 945377322 /nfs/dbraw/zinc/37/73/22/945377322.db2.gz PSESQEWBBLXPJK-QWRGUYRKSA-N 2 1 363.752 3.986 20 0 FHADMP Clc1sc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400785 945377333 /nfs/dbraw/zinc/37/73/33/945377333.db2.gz PSESQEWBBLXPJK-QWRGUYRKSA-N 2 1 363.752 3.986 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCCC(=O)N3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048176 945393345 /nfs/dbraw/zinc/39/33/45/945393345.db2.gz UXBHMMIOEPABDM-QRICJDHISA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048176 945393352 /nfs/dbraw/zinc/39/33/52/945393352.db2.gz UXBHMMIOEPABDM-QRICJDHISA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048176 945393361 /nfs/dbraw/zinc/39/33/61/945393361.db2.gz UXBHMMIOEPABDM-QRICJDHISA-N 2 1 369.553 3.563 20 0 FHADMP CCO[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420501 /nfs/dbraw/zinc/42/05/01/945420501.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420507 /nfs/dbraw/zinc/42/05/07/945420507.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420511 /nfs/dbraw/zinc/42/05/11/945420511.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 2 1 366.590 3.651 20 0 FHADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000280900878 945455764 /nfs/dbraw/zinc/45/57/64/945455764.db2.gz OIOFPSJWJBSDNX-UHFFFAOYSA-N 2 1 352.482 3.979 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925849 945464156 /nfs/dbraw/zinc/46/41/56/945464156.db2.gz RKBGJUFHOSWUCT-MBSDFSHPSA-N 2 1 365.521 3.933 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925849 945464163 /nfs/dbraw/zinc/46/41/63/945464163.db2.gz RKBGJUFHOSWUCT-MBSDFSHPSA-N 2 1 365.521 3.933 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccnn2C(C)C)CC1 ZINC000280978197 945486321 /nfs/dbraw/zinc/48/63/21/945486321.db2.gz UGXRJGHUMSCGMK-KRWDZBQOSA-N 2 1 373.520 3.596 20 0 FHADMP Fc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1-c1cccs1 ZINC000415048911 945513576 /nfs/dbraw/zinc/51/35/76/945513576.db2.gz GOPABDWGAAYDMO-UHFFFAOYSA-N 2 1 373.541 3.860 20 0 FHADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638833094 945521486 /nfs/dbraw/zinc/52/14/86/945521486.db2.gz UXROXHRZIRIMTJ-OFNKIYASSA-N 2 1 366.553 3.927 20 0 FHADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638833094 945521490 /nfs/dbraw/zinc/52/14/90/945521490.db2.gz UXROXHRZIRIMTJ-OFNKIYASSA-N 2 1 366.553 3.927 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662112 /nfs/dbraw/zinc/66/21/12/945662112.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662116 /nfs/dbraw/zinc/66/21/16/945662116.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662118 /nfs/dbraw/zinc/66/21/18/945662118.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662121 /nfs/dbraw/zinc/66/21/21/945662121.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662124 /nfs/dbraw/zinc/66/21/24/945662124.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662127 /nfs/dbraw/zinc/66/21/27/945662127.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662135 /nfs/dbraw/zinc/66/21/35/945662135.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662137 /nfs/dbraw/zinc/66/21/37/945662137.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662142 /nfs/dbraw/zinc/66/21/42/945662142.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 2 1 355.570 3.881 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469488038 945669616 /nfs/dbraw/zinc/66/96/16/945669616.db2.gz ODFYSMCXYPEVDD-GFCCVEGCSA-N 2 1 370.335 3.616 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443987275 945691824 /nfs/dbraw/zinc/69/18/24/945691824.db2.gz XFZNRSIKJOTFLW-FQEVSTJZSA-N 2 1 372.484 3.945 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440615695 945711785 /nfs/dbraw/zinc/71/17/85/945711785.db2.gz QJZSSQXTYLZLOA-ZIAGYGMSSA-N 2 1 366.431 3.675 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1csc(C(F)(F)F)c1 ZINC000925092682 945811719 /nfs/dbraw/zinc/81/17/19/945811719.db2.gz CCSKWLSNXZGVQM-STQMWFEESA-N 2 1 362.461 3.918 20 0 FHADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@@H]21 ZINC000301659645 945898272 /nfs/dbraw/zinc/89/82/72/945898272.db2.gz CCJOHLLWRBBZQP-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@@H]21 ZINC000301659645 945898287 /nfs/dbraw/zinc/89/82/87/945898287.db2.gz CCJOHLLWRBBZQP-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700504 945922587 /nfs/dbraw/zinc/92/25/87/945922587.db2.gz FLBHWXAFKCYAEN-APWZRJJASA-N 2 1 369.509 3.953 20 0 FHADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973101 945923802 /nfs/dbraw/zinc/92/38/02/945923802.db2.gz GPFFFEMMNCFNNE-IPQPSQTFSA-N 2 1 365.562 3.531 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051016 945968945 /nfs/dbraw/zinc/96/89/45/945968945.db2.gz FGQFLCOOOPBXQL-JHDGKUDLSA-N 2 1 355.570 3.988 20 0 FHADMP CC[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000522848906 945989467 /nfs/dbraw/zinc/98/94/67/945989467.db2.gz XLTXUEHVFJYOIL-OALUTQOASA-N 2 1 365.949 3.714 20 0 FHADMP CCc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2[nH+]1 ZINC000302063617 946103632 /nfs/dbraw/zinc/10/36/32/946103632.db2.gz UZGLTRWTTNEDCZ-HXUWFJFHSA-N 2 1 361.489 3.976 20 0 FHADMP CC(C)COc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441063986 946161738 /nfs/dbraw/zinc/16/17/38/946161738.db2.gz PGMFJGUBAGOLCW-UHFFFAOYSA-N 2 1 373.585 3.712 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000520122790 946171370 /nfs/dbraw/zinc/17/13/70/946171370.db2.gz XWKDTOCIUUIGGI-MOPGFXCFSA-N 2 1 359.539 3.550 20 0 FHADMP Cc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1F ZINC000520206742 946268909 /nfs/dbraw/zinc/26/89/09/946268909.db2.gz HLTIYLLAUWGOMC-QFIPXVFZSA-N 2 1 355.501 3.603 20 0 FHADMP CN(C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000441145717 946272138 /nfs/dbraw/zinc/27/21/38/946272138.db2.gz IDTZTSXWROPWMX-FQEVSTJZSA-N 2 1 357.542 3.628 20 0 FHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359556 946485304 /nfs/dbraw/zinc/48/53/04/946485304.db2.gz RRGXITAVODVJKX-FCHUYYIVSA-N 2 1 371.569 3.552 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192683279 946608702 /nfs/dbraw/zinc/60/87/02/946608702.db2.gz IUKJBBBEAIIMAW-OAQYLSRUSA-N 2 1 353.510 3.584 20 0 FHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545895 946656226 /nfs/dbraw/zinc/65/62/26/946656226.db2.gz OBNMWGTVDLGRPQ-VXKWHMMOSA-N 2 1 365.521 3.625 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000536266525 946661158 /nfs/dbraw/zinc/66/11/58/946661158.db2.gz FEQFLCQUADHVFC-FSSWDIPSSA-N 2 1 365.521 3.631 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C[C@H](C)O1 ZINC000544379668 946710914 /nfs/dbraw/zinc/71/09/14/946710914.db2.gz SNTKNIUSDSPDBU-SVMVAKDDSA-N 2 1 371.500 3.789 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000123292585 946764835 /nfs/dbraw/zinc/76/48/35/946764835.db2.gz MFDNENZEZPQKEK-HXUWFJFHSA-N 2 1 355.457 3.538 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000123292585 946764840 /nfs/dbraw/zinc/76/48/40/946764840.db2.gz MFDNENZEZPQKEK-HXUWFJFHSA-N 2 1 355.457 3.538 20 0 FHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475283850 946822372 /nfs/dbraw/zinc/82/23/72/946822372.db2.gz WXKFBWAXKNEGIH-VRKFHHGPSA-N 2 1 358.526 3.610 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000444454596 946885069 /nfs/dbraw/zinc/88/50/69/946885069.db2.gz OZDBCMUJSIRWJS-DYESRHJHSA-N 2 1 368.525 3.868 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348724 946887926 /nfs/dbraw/zinc/88/79/26/946887926.db2.gz OURZYOLRTFVGCG-YQVWRLOYSA-N 2 1 363.571 3.909 20 0 FHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995002 946892390 /nfs/dbraw/zinc/89/23/90/946892390.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 2 1 367.581 3.846 20 0 FHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995002 946892399 /nfs/dbraw/zinc/89/23/99/946892399.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 2 1 367.581 3.846 20 0 FHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995002 946892407 /nfs/dbraw/zinc/89/24/07/946892407.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 3 1 367.581 3.846 20 0 FHADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350358 946894911 /nfs/dbraw/zinc/89/49/11/946894911.db2.gz UMPZDEBXEFFIRW-ZWOKBUDYSA-N 2 1 366.933 3.846 20 0 FHADMP CCOCC[NH+](CCOCC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061474 946917727 /nfs/dbraw/zinc/91/77/27/946917727.db2.gz INLHGGWVAYXIDT-VTYHHJSWSA-N 2 1 362.558 3.803 20 0 FHADMP CCOCC[NH+](CCOCC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061474 946917733 /nfs/dbraw/zinc/91/77/33/946917733.db2.gz INLHGGWVAYXIDT-VTYHHJSWSA-N 2 1 362.558 3.803 20 0 FHADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647978258 946939157 /nfs/dbraw/zinc/93/91/57/946939157.db2.gz OZLVKOLFLKDKDA-ROUUACIJSA-N 2 1 355.482 3.562 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918530 947105846 /nfs/dbraw/zinc/10/58/46/947105846.db2.gz IICMEETVRSXQCO-UYAOXDASSA-N 2 1 351.494 3.515 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192935047 947117003 /nfs/dbraw/zinc/11/70/03/947117003.db2.gz CLAUGCXYCWCWNN-PXNSSMCTSA-N 2 1 351.494 3.818 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000509614112 947256586 /nfs/dbraw/zinc/25/65/86/947256586.db2.gz AJNJKNXRCWZREA-UHFFFAOYSA-N 2 1 363.509 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1)C1CC1 ZINC000523452075 947256808 /nfs/dbraw/zinc/25/68/08/947256808.db2.gz MZGDNIQCJNTAOH-UHFFFAOYSA-N 2 1 357.542 3.617 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1)C1CC1 ZINC000523452075 947256821 /nfs/dbraw/zinc/25/68/21/947256821.db2.gz MZGDNIQCJNTAOH-UHFFFAOYSA-N 2 1 357.542 3.617 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](C(C)(C)C)CC2)cc1)C1CC1 ZINC000523452075 947256799 /nfs/dbraw/zinc/25/67/99/947256799.db2.gz MZGDNIQCJNTAOH-UHFFFAOYSA-N 2 1 357.542 3.617 20 0 FHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000248529188 947293584 /nfs/dbraw/zinc/29/35/84/947293584.db2.gz WOJADXLAFPCNER-ZIAGYGMSSA-N 2 1 355.320 3.926 20 0 FHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000248529188 947293589 /nfs/dbraw/zinc/29/35/89/947293589.db2.gz WOJADXLAFPCNER-ZIAGYGMSSA-N 2 1 355.320 3.926 20 0 FHADMP Brc1ccc2[nH+]ccc(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000444867331 947294240 /nfs/dbraw/zinc/29/42/40/947294240.db2.gz DUNDBCTUHAZVPO-UHFFFAOYSA-N 2 1 360.299 3.706 20 0 FHADMP Clc1ccc2[nH+]ccc(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000301447200 947345755 /nfs/dbraw/zinc/34/57/55/947345755.db2.gz YSTJDWQCRJPATN-UHFFFAOYSA-N 2 1 359.901 3.969 20 0 FHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000523853910 947655833 /nfs/dbraw/zinc/65/58/33/947655833.db2.gz ZSGGFGURPPMNHG-IBGZPJMESA-N 2 1 369.484 3.738 20 0 FHADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662249292 947671516 /nfs/dbraw/zinc/67/15/16/947671516.db2.gz SNJOFGKDZPRLRM-NRFANRHFSA-N 2 1 352.478 3.687 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264584 947684481 /nfs/dbraw/zinc/68/44/81/947684481.db2.gz RIJUZZLELLXYAY-NVXWUHKLSA-N 2 1 357.523 3.632 20 0 FHADMP Cc1ncsc1C[N@H+](CCc1nsc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000662268403 947690432 /nfs/dbraw/zinc/69/04/32/947690432.db2.gz XVBNATOKYRIGHU-OAHLLOKOSA-N 2 1 372.563 3.715 20 0 FHADMP Cc1ncsc1C[N@@H+](CCc1nsc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000662268403 947690437 /nfs/dbraw/zinc/69/04/37/947690437.db2.gz XVBNATOKYRIGHU-OAHLLOKOSA-N 2 1 372.563 3.715 20 0 FHADMP FC(F)Oc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662276500 947702091 /nfs/dbraw/zinc/70/20/91/947702091.db2.gz JYZWPJSUEULRBW-HXUWFJFHSA-N 2 1 374.431 3.507 20 0 FHADMP FC(F)Oc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662276500 947702096 /nfs/dbraw/zinc/70/20/96/947702096.db2.gz JYZWPJSUEULRBW-HXUWFJFHSA-N 2 1 374.431 3.507 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285147 947704098 /nfs/dbraw/zinc/70/40/98/947704098.db2.gz YBIOIWUZGBOZSB-KBAYOESNSA-N 2 1 354.947 3.793 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290015 947711385 /nfs/dbraw/zinc/71/13/85/947711385.db2.gz DZPMWVCJLZYCOZ-LJQANCHMSA-N 2 1 357.542 3.769 20 0 FHADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290580 947713506 /nfs/dbraw/zinc/71/35/06/947713506.db2.gz WYUSOIHPINBAJH-SFHVURJKSA-N 2 1 357.542 3.634 20 0 FHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294026 947716325 /nfs/dbraw/zinc/71/63/25/947716325.db2.gz AEVSJKUWFJASEU-MJGOQNOKSA-N 2 1 357.542 3.849 20 0 FHADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295219 947716570 /nfs/dbraw/zinc/71/65/70/947716570.db2.gz GCMOZBQEYRORSF-AEFFLSMTSA-N 2 1 354.498 3.818 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1F ZINC000662297863 947719794 /nfs/dbraw/zinc/71/97/94/947719794.db2.gz SNIODUCQZDKQJJ-OAHLLOKOSA-N 2 1 367.896 3.519 20 0 FHADMP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298419 947721018 /nfs/dbraw/zinc/72/10/18/947721018.db2.gz WCANKADRPKGCQT-CJNGLKHVSA-N 2 1 374.554 3.786 20 0 FHADMP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298419 947721024 /nfs/dbraw/zinc/72/10/24/947721024.db2.gz WCANKADRPKGCQT-CJNGLKHVSA-N 2 1 374.554 3.786 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)n1 ZINC000662296102 947721290 /nfs/dbraw/zinc/72/12/90/947721290.db2.gz XUQIVZPOQCMQMT-NRFANRHFSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296012 947722464 /nfs/dbraw/zinc/72/24/64/947722464.db2.gz JVRNCTUSSNTEMS-YJBOKZPZSA-N 2 1 372.488 3.957 20 0 FHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297273 947724096 /nfs/dbraw/zinc/72/40/96/947724096.db2.gz OXZVURNODCHIOC-UTKZUKDTSA-N 2 1 371.569 3.850 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000487389690 947752330 /nfs/dbraw/zinc/75/23/30/947752330.db2.gz JRYOALRBQGFWQZ-UHFFFAOYSA-N 2 1 364.440 3.569 20 0 FHADMP CC[C@@H](CC(F)F)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326828 947758554 /nfs/dbraw/zinc/75/85/54/947758554.db2.gz DBAMCZXAZIDHIU-AWEZNQCLSA-N 2 1 354.489 3.738 20 0 FHADMP Cc1cccc(C)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327697 947758660 /nfs/dbraw/zinc/75/86/60/947758660.db2.gz UDIXSBPKPZJRMR-UHFFFAOYSA-N 2 1 352.526 3.873 20 0 FHADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328550 947760203 /nfs/dbraw/zinc/76/02/03/947760203.db2.gz SMNAQRHBJWQQBA-JTSKRJEESA-N 2 1 374.573 3.651 20 0 FHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327327 947760275 /nfs/dbraw/zinc/76/02/75/947760275.db2.gz NIZOOSIRJYYSCT-HNNXBMFYSA-N 2 1 356.489 3.956 20 0 FHADMP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000189636161 947796703 /nfs/dbraw/zinc/79/67/03/947796703.db2.gz OTWNIVWHTCMRBK-HKUYNNGSSA-N 2 1 370.459 3.724 20 0 FHADMP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343800 947806657 /nfs/dbraw/zinc/80/66/57/947806657.db2.gz FMBQFFMRZDJUNS-NRFANRHFSA-N 2 1 373.560 3.544 20 0 FHADMP Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343800 947806677 /nfs/dbraw/zinc/80/66/77/947806677.db2.gz FMBQFFMRZDJUNS-NRFANRHFSA-N 2 1 373.560 3.544 20 0 FHADMP Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343800 947806687 /nfs/dbraw/zinc/80/66/87/947806687.db2.gz FMBQFFMRZDJUNS-NRFANRHFSA-N 2 1 373.560 3.544 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345583 947813527 /nfs/dbraw/zinc/81/35/27/947813527.db2.gz LIAHKABJEWJZCL-HNNXBMFYSA-N 2 1 360.452 3.567 20 0 FHADMP COc1sc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000663346957 947814392 /nfs/dbraw/zinc/81/43/92/947814392.db2.gz YOKVWQARDLQCOL-ZDUSSCGKSA-N 2 1 373.360 3.731 20 0 FHADMP COc1sc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663346957 947814398 /nfs/dbraw/zinc/81/43/98/947814398.db2.gz YOKVWQARDLQCOL-ZDUSSCGKSA-N 2 1 373.360 3.731 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000662467808 947832518 /nfs/dbraw/zinc/83/25/18/947832518.db2.gz GTTAFJLOLKQITI-JBACZVJFSA-N 2 1 359.558 3.509 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662463718 947835382 /nfs/dbraw/zinc/83/53/82/947835382.db2.gz GFQMIAPDVIALIC-NRFANRHFSA-N 2 1 371.569 3.649 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000500442137 947878987 /nfs/dbraw/zinc/87/89/87/947878987.db2.gz SLARCJKRLXXKQQ-JOCHJYFZSA-N 2 1 368.521 3.504 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662598340 947923952 /nfs/dbraw/zinc/92/39/52/947923952.db2.gz UKTBATZZMKYMSC-QFIPXVFZSA-N 2 1 371.569 3.770 20 0 FHADMP C[NH2+][C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000662683684 947978671 /nfs/dbraw/zinc/97/86/71/947978671.db2.gz QZSLOXGMUVCQPU-KRWDZBQOSA-N 2 1 366.292 3.954 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467975 948054244 /nfs/dbraw/zinc/05/42/44/948054244.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467975 948054254 /nfs/dbraw/zinc/05/42/54/948054254.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467975 948054256 /nfs/dbraw/zinc/05/42/56/948054256.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467975 948054261 /nfs/dbraw/zinc/05/42/61/948054261.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467975 948054270 /nfs/dbraw/zinc/05/42/70/948054270.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467975 948054279 /nfs/dbraw/zinc/05/42/79/948054279.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467975 948054283 /nfs/dbraw/zinc/05/42/83/948054283.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 3 1 355.570 3.609 20 0 FHADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467347 948055614 /nfs/dbraw/zinc/05/56/14/948055614.db2.gz DYMNARWPHQKAQB-UZLBHIALSA-N 2 1 357.498 3.942 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000663466600 948058456 /nfs/dbraw/zinc/05/84/56/948058456.db2.gz VYPKOXUQDUSAOY-APWZRJJASA-N 2 1 360.542 3.655 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000663466603 948058686 /nfs/dbraw/zinc/05/86/86/948058686.db2.gz VYPKOXUQDUSAOY-VQIMIIECSA-N 2 1 360.542 3.655 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466783 948058839 /nfs/dbraw/zinc/05/88/39/948058839.db2.gz ACFHXXORCUQQTB-QUCCMNQESA-N 2 1 357.542 3.732 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467954 948060382 /nfs/dbraw/zinc/06/03/82/948060382.db2.gz IYGDNDIRDAHZJI-RDJZCZTQSA-N 2 1 355.526 3.689 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823893 948103072 /nfs/dbraw/zinc/10/30/72/948103072.db2.gz FTNMITVREVSBLO-OFNKIYASSA-N 2 1 371.569 3.934 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167825743 948126835 /nfs/dbraw/zinc/12/68/35/948126835.db2.gz SVLGUTNBHAQLGO-SESVDKBCSA-N 2 1 352.563 3.547 20 0 FHADMP C[C@H]1C[N@@H+](CCCNCc2c(Cl)cccc2N2CCCC2)CCCO1 ZINC000432343866 948175901 /nfs/dbraw/zinc/17/59/01/948175901.db2.gz AFYIKXJNOORLCW-KRWDZBQOSA-N 2 1 365.949 3.531 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144075 948213692 /nfs/dbraw/zinc/21/36/92/948213692.db2.gz AXELSSGYJDIYMK-OALUTQOASA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144075 948213699 /nfs/dbraw/zinc/21/36/99/948213699.db2.gz AXELSSGYJDIYMK-OALUTQOASA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144075 948213703 /nfs/dbraw/zinc/21/37/03/948213703.db2.gz AXELSSGYJDIYMK-OALUTQOASA-N 2 1 362.477 3.567 20 0 FHADMP CN(C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001168002129 948219770 /nfs/dbraw/zinc/21/97/70/948219770.db2.gz NAKFSBZXISZXJH-VDNRPAQBSA-N 2 1 367.581 3.988 20 0 FHADMP CN(C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001168002129 948219779 /nfs/dbraw/zinc/21/97/79/948219779.db2.gz NAKFSBZXISZXJH-VDNRPAQBSA-N 2 1 367.581 3.988 20 0 FHADMP CN(C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001168002129 948219785 /nfs/dbraw/zinc/21/97/85/948219785.db2.gz NAKFSBZXISZXJH-VDNRPAQBSA-N 2 1 367.581 3.988 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833705 948231917 /nfs/dbraw/zinc/23/19/17/948231917.db2.gz DKSZSKFDQABXPD-ROUUACIJSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001167834136 948248043 /nfs/dbraw/zinc/24/80/43/948248043.db2.gz HZTFYEUVXYJDDQ-QZTJIDSGSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001167835695 948297892 /nfs/dbraw/zinc/29/78/92/948297892.db2.gz SXEVVAGPZNTFSM-FPOVZHCZSA-N 2 1 360.542 3.952 20 0 FHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432407496 948346541 /nfs/dbraw/zinc/34/65/41/948346541.db2.gz MHWTZFXDSVOSBA-JKSUJKDBSA-N 2 1 356.457 3.748 20 0 FHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432407496 948346544 /nfs/dbraw/zinc/34/65/44/948346544.db2.gz MHWTZFXDSVOSBA-JKSUJKDBSA-N 2 1 356.457 3.748 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1 ZINC000183142357 948349449 /nfs/dbraw/zinc/34/94/49/948349449.db2.gz COMUJWXHYKGCHB-SJORKVTESA-N 2 1 354.498 3.622 20 0 FHADMP COc1ccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414963 948365511 /nfs/dbraw/zinc/36/55/11/948365511.db2.gz AYZXDOYMNHONEG-MSOLQXFVSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414963 948365520 /nfs/dbraw/zinc/36/55/20/948365520.db2.gz AYZXDOYMNHONEG-MSOLQXFVSA-N 2 1 356.510 4.000 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416409 948369530 /nfs/dbraw/zinc/36/95/30/948369530.db2.gz GVUNXZCLVIZWML-ZIAGYGMSSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000432416409 948369536 /nfs/dbraw/zinc/36/95/36/948369536.db2.gz GVUNXZCLVIZWML-ZIAGYGMSSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417703 948370188 /nfs/dbraw/zinc/37/01/88/948370188.db2.gz NSZGHBFNRQZTFS-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417703 948370195 /nfs/dbraw/zinc/37/01/95/948370195.db2.gz NSZGHBFNRQZTFS-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000585811696 948372181 /nfs/dbraw/zinc/37/21/81/948372181.db2.gz BSRJTFGUGHBBFF-UHFFFAOYSA-N 2 1 369.484 3.717 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000278985739 948373991 /nfs/dbraw/zinc/37/39/91/948373991.db2.gz PKMVACLQWMMWEP-CHWSQXEVSA-N 2 1 364.287 3.567 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422494 948382993 /nfs/dbraw/zinc/38/29/93/948382993.db2.gz FLMBBENYGSEZRO-KGLIPLIRSA-N 2 1 373.310 3.740 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432422714 948383088 /nfs/dbraw/zinc/38/30/88/948383088.db2.gz GHUDRAIZUFZQTE-VQIMIIECSA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432422714 948383093 /nfs/dbraw/zinc/38/30/93/948383093.db2.gz GHUDRAIZUFZQTE-VQIMIIECSA-N 2 1 366.933 3.953 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422496 948383544 /nfs/dbraw/zinc/38/35/44/948383544.db2.gz FLMBBENYGSEZRO-UONOGXRCSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424071 948387081 /nfs/dbraw/zinc/38/70/81/948387081.db2.gz MTYHNMHGPVAQRX-RHSMWYFYSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424071 948387087 /nfs/dbraw/zinc/38/70/87/948387087.db2.gz MTYHNMHGPVAQRX-RHSMWYFYSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088702 948392214 /nfs/dbraw/zinc/39/22/14/948392214.db2.gz POTQGPSHYSFWMN-QGZVFWFLSA-N 2 1 372.582 3.869 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088702 948392217 /nfs/dbraw/zinc/39/22/17/948392217.db2.gz POTQGPSHYSFWMN-QGZVFWFLSA-N 2 1 372.582 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001167842857 948396265 /nfs/dbraw/zinc/39/62/65/948396265.db2.gz ZHLXYYRSHBNPGS-CQSZACIVSA-N 2 1 368.363 3.900 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842956 948398659 /nfs/dbraw/zinc/39/86/59/948398659.db2.gz ZYLMYIQSVYXGNB-ZWKOTPCHSA-N 2 1 355.567 3.686 20 0 FHADMP C[NH+](C)Cc1cnc(CNCc2ccc(COCC(F)(F)F)cc2)s1 ZINC000512117482 948465091 /nfs/dbraw/zinc/46/50/91/948465091.db2.gz WHBIEUMAJZMBBX-UHFFFAOYSA-N 2 1 373.444 3.573 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129199 948504234 /nfs/dbraw/zinc/50/42/34/948504234.db2.gz JIFDFDKXIHGDPV-GPCFVJJQSA-N 2 1 372.459 3.989 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129199 948504240 /nfs/dbraw/zinc/50/42/40/948504240.db2.gz JIFDFDKXIHGDPV-GPCFVJJQSA-N 2 1 372.459 3.989 20 0 FHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000152398736 948515403 /nfs/dbraw/zinc/51/54/03/948515403.db2.gz SLOKJVCFNASNTE-YRVNODTHSA-N 2 1 369.553 3.775 20 0 FHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000152398736 948515411 /nfs/dbraw/zinc/51/54/11/948515411.db2.gz SLOKJVCFNASNTE-YRVNODTHSA-N 2 1 369.553 3.775 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143021 948539107 /nfs/dbraw/zinc/53/91/07/948539107.db2.gz CMDIFHLXXDYZRJ-KRWDZBQOSA-N 2 1 372.582 3.726 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143021 948539111 /nfs/dbraw/zinc/53/91/11/948539111.db2.gz CMDIFHLXXDYZRJ-KRWDZBQOSA-N 2 1 372.582 3.726 20 0 FHADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799088 948600102 /nfs/dbraw/zinc/60/01/02/948600102.db2.gz XBBGTGDQBCZTLS-FXAWDEMLSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799088 948600106 /nfs/dbraw/zinc/60/01/06/948600106.db2.gz XBBGTGDQBCZTLS-FXAWDEMLSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177119 948656806 /nfs/dbraw/zinc/65/68/06/948656806.db2.gz FEZCZJFESBTGTF-TZIWHRDSSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177119 948656809 /nfs/dbraw/zinc/65/68/09/948656809.db2.gz FEZCZJFESBTGTF-TZIWHRDSSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177119 948656814 /nfs/dbraw/zinc/65/68/14/948656814.db2.gz FEZCZJFESBTGTF-TZIWHRDSSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177119 948656817 /nfs/dbraw/zinc/65/68/17/948656817.db2.gz FEZCZJFESBTGTF-TZIWHRDSSA-N 2 1 352.526 3.959 20 0 FHADMP CC(C)(C)CCNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536485985 948732533 /nfs/dbraw/zinc/73/25/33/948732533.db2.gz OLUZCCYTTCXORI-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP COCc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)cc1 ZINC000275707790 522973933 /nfs/dbraw/zinc/97/39/33/522973933.db2.gz NPTULYVORQHDLN-QFIPXVFZSA-N 2 1 353.510 3.715 20 0 FHADMP COCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)cc1 ZINC000275707790 522973942 /nfs/dbraw/zinc/97/39/42/522973942.db2.gz NPTULYVORQHDLN-QFIPXVFZSA-N 2 1 353.510 3.715 20 0 FHADMP COCc1ccc(C[NH+]2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707790 522973950 /nfs/dbraw/zinc/97/39/50/522973950.db2.gz NPTULYVORQHDLN-QFIPXVFZSA-N 2 1 353.510 3.715 20 0 FHADMP COCc1ccc(C[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707790 522973953 /nfs/dbraw/zinc/97/39/53/522973953.db2.gz NPTULYVORQHDLN-QFIPXVFZSA-N 2 1 353.510 3.715 20 0 FHADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667610 568014210 /nfs/dbraw/zinc/01/42/10/568014210.db2.gz QTFZORFPQHEUCS-CTNGQTDRSA-N 3 1 373.610 3.772 20 0 FHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667610 568014212 /nfs/dbraw/zinc/01/42/12/568014212.db2.gz QTFZORFPQHEUCS-CTNGQTDRSA-N 3 1 373.610 3.772 20 0 FHADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000603694952 568136772 /nfs/dbraw/zinc/13/67/72/568136772.db2.gz OWVCNFOWLPFSBJ-FQEVSTJZSA-N 2 1 365.521 3.907 20 0 FHADMP COc1ccc(COCCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711640 568137895 /nfs/dbraw/zinc/13/78/95/568137895.db2.gz DNZUUIOWOULHJD-FPOVZHCZSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711640 568137896 /nfs/dbraw/zinc/13/78/96/568137896.db2.gz DNZUUIOWOULHJD-FPOVZHCZSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711640 568137897 /nfs/dbraw/zinc/13/78/97/568137897.db2.gz DNZUUIOWOULHJD-FPOVZHCZSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711640 568137898 /nfs/dbraw/zinc/13/78/98/568137898.db2.gz DNZUUIOWOULHJD-FPOVZHCZSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711640 568137899 /nfs/dbraw/zinc/13/78/99/568137899.db2.gz DNZUUIOWOULHJD-FPOVZHCZSA-N 2 1 360.542 3.798 20 0 FHADMP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120002 568224733 /nfs/dbraw/zinc/22/47/33/568224733.db2.gz OKRCFQUIYWGGOW-GOTSBHOMSA-N 2 1 364.533 3.767 20 0 FHADMP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120002 568224734 /nfs/dbraw/zinc/22/47/34/568224734.db2.gz OKRCFQUIYWGGOW-GOTSBHOMSA-N 2 1 364.533 3.767 20 0 FHADMP Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Oc1ccncc1 ZINC000604220011 568230417 /nfs/dbraw/zinc/23/04/17/568230417.db2.gz GHGUATNJMFPSKQ-OALUTQOASA-N 2 1 351.450 3.539 20 0 FHADMP Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Oc1ccncc1 ZINC000604220010 568230426 /nfs/dbraw/zinc/23/04/26/568230426.db2.gz GHGUATNJMFPSKQ-MOPGFXCFSA-N 2 1 351.450 3.539 20 0 FHADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000567871163 568263375 /nfs/dbraw/zinc/26/33/75/568263375.db2.gz USMUMIFMCXQKLE-GHMZBOCLSA-N 2 1 354.317 3.788 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135874 568274533 /nfs/dbraw/zinc/27/45/33/568274533.db2.gz VLNCUCRQCLVIJF-IAGOWNOFSA-N 2 1 357.523 3.640 20 0 FHADMP C[N@H+]1CCC[C@@H](CNCc2cn[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165433 568593788 /nfs/dbraw/zinc/59/37/88/568593788.db2.gz BNOLDFCUBNKKBS-DOTOQJQBSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165433 568593790 /nfs/dbraw/zinc/59/37/90/568593790.db2.gz BNOLDFCUBNKKBS-DOTOQJQBSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165433 568593792 /nfs/dbraw/zinc/59/37/92/568593792.db2.gz BNOLDFCUBNKKBS-DOTOQJQBSA-N 2 1 352.404 3.601 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164683361 719615422 /nfs/dbraw/zinc/61/54/22/719615422.db2.gz IHCDLTKPEOZKHH-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164683361 719615428 /nfs/dbraw/zinc/61/54/28/719615428.db2.gz IHCDLTKPEOZKHH-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812608 720144888 /nfs/dbraw/zinc/14/48/88/720144888.db2.gz PIMSNJSGNBRZDL-REWPJTCUSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812608 720144890 /nfs/dbraw/zinc/14/48/90/720144890.db2.gz PIMSNJSGNBRZDL-REWPJTCUSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812605 720144903 /nfs/dbraw/zinc/14/49/03/720144903.db2.gz PIMSNJSGNBRZDL-OFNKIYASSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812605 720144905 /nfs/dbraw/zinc/14/49/05/720144905.db2.gz PIMSNJSGNBRZDL-OFNKIYASSA-N 2 1 365.521 3.728 20 0 FHADMP Cc1ccc2c(C)cc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)[nH+]c2c1C ZINC001164734860 720525747 /nfs/dbraw/zinc/52/57/47/720525747.db2.gz SGMLLCGMGRWJEO-SFHVURJKSA-N 2 1 363.509 3.555 20 0 FHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2[nH+]ccc4[nH]ccc42)C3)c1 ZINC001164995486 722193183 /nfs/dbraw/zinc/19/31/83/722193183.db2.gz VFFWJPZCVYGLKA-NRFANRHFSA-N 2 1 350.441 3.947 20 0 FHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc4[nH]ccc4c[nH+]2)C3)c1 ZINC001164992876 722193903 /nfs/dbraw/zinc/19/39/03/722193903.db2.gz BRCXUGYLDPFGSV-OAQYLSRUSA-N 2 1 350.441 3.947 20 0 FHADMP CCc1nc(C)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000162226024 936364083 /nfs/dbraw/zinc/36/40/83/936364083.db2.gz PYXWXTJEBDZANN-ZDUSSCGKSA-N 2 1 359.543 3.740 20 0 FHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772246 945069389 /nfs/dbraw/zinc/06/93/89/945069389.db2.gz UJZOIQUFTMNKBF-TZIWHRDSSA-N 2 1 371.569 3.668 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000583111356 937129350 /nfs/dbraw/zinc/12/93/50/937129350.db2.gz SXHKGHFAVQNLIR-UHFFFAOYSA-N 2 1 355.461 3.683 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000583111356 937129352 /nfs/dbraw/zinc/12/93/52/937129352.db2.gz SXHKGHFAVQNLIR-UHFFFAOYSA-N 2 1 355.461 3.683 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150778693 937165260 /nfs/dbraw/zinc/16/52/60/937165260.db2.gz DYGORZGLSQJCMP-LJQANCHMSA-N 2 1 360.505 3.919 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150778693 937165262 /nfs/dbraw/zinc/16/52/62/937165262.db2.gz DYGORZGLSQJCMP-LJQANCHMSA-N 2 1 360.505 3.919 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C5(CCC5)C4)[C@H]3C2)cc1 ZINC000643547355 927460174 /nfs/dbraw/zinc/46/01/74/927460174.db2.gz DIDOTDPGGIPIGE-LRSLUSHPSA-N 2 1 353.554 3.551 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C5(CCC5)C4)[C@H]3C2)cc1 ZINC000643547355 927460178 /nfs/dbraw/zinc/46/01/78/927460178.db2.gz DIDOTDPGGIPIGE-LRSLUSHPSA-N 3 1 353.554 3.551 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[NH2+]C5(CCC5)C4)[C@H]3C2)cc1 ZINC000643547355 927460187 /nfs/dbraw/zinc/46/01/87/927460187.db2.gz DIDOTDPGGIPIGE-LRSLUSHPSA-N 3 1 353.554 3.551 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510078210 927823666 /nfs/dbraw/zinc/82/36/66/927823666.db2.gz YIHRZOJGNAFPDL-PMACEKPBSA-N 2 1 359.558 3.570 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083448 927937129 /nfs/dbraw/zinc/93/71/29/927937129.db2.gz UKZBLGIBRWEUTC-NHCUHLMSSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510083448 927937133 /nfs/dbraw/zinc/93/71/33/927937133.db2.gz UKZBLGIBRWEUTC-NHCUHLMSSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510083448 927937144 /nfs/dbraw/zinc/93/71/44/927937144.db2.gz UKZBLGIBRWEUTC-NHCUHLMSSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274761663 928105261 /nfs/dbraw/zinc/10/52/61/928105261.db2.gz KCPOBVCXNPGGJQ-BEFAXECRSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274761663 928105266 /nfs/dbraw/zinc/10/52/66/928105266.db2.gz KCPOBVCXNPGGJQ-BEFAXECRSA-N 2 1 359.901 3.543 20 0 FHADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261820502 937224572 /nfs/dbraw/zinc/22/45/72/937224572.db2.gz WQKHNBVHPGDRKC-PBWFPOADSA-N 2 1 356.297 3.537 20 0 FHADMP CCC1CCC([N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2CC2)CC1 ZINC001167070147 928197455 /nfs/dbraw/zinc/19/74/55/928197455.db2.gz DDNPLOBSIGTXNE-ZOGYUUGASA-N 2 1 371.569 3.839 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@]3(C)CC(C)C)CC2)CC1 ZINC000655123236 928212981 /nfs/dbraw/zinc/21/29/81/928212981.db2.gz MLLXVKOPEHIONQ-JOCHJYFZSA-N 2 1 363.590 3.610 20 0 FHADMP CC(C)[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606005 928240152 /nfs/dbraw/zinc/24/01/52/928240152.db2.gz DAMFBUCCMVIGOY-RTBURBONSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606005 928240163 /nfs/dbraw/zinc/24/01/63/928240163.db2.gz DAMFBUCCMVIGOY-RTBURBONSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606005 928240176 /nfs/dbraw/zinc/24/01/76/928240176.db2.gz DAMFBUCCMVIGOY-RTBURBONSA-N 2 1 367.578 3.828 20 0 FHADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001208606005 928240190 /nfs/dbraw/zinc/24/01/90/928240190.db2.gz DAMFBUCCMVIGOY-RTBURBONSA-N 2 1 367.578 3.828 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170473 928457809 /nfs/dbraw/zinc/45/78/09/928457809.db2.gz FGJBNJGFXOAVHK-XJKSGUPXSA-N 2 1 370.324 3.786 20 0 FHADMP COc1ccc(Br)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000583290409 937322895 /nfs/dbraw/zinc/32/28/95/937322895.db2.gz VDZBRDVRPLAOCN-HNNXBMFYSA-N 2 1 367.331 3.621 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180130881 929385893 /nfs/dbraw/zinc/38/58/93/929385893.db2.gz FOERNXIGPXJDOR-UWJYYQICSA-N 2 1 358.505 3.893 20 0 FHADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159477 929386888 /nfs/dbraw/zinc/38/68/88/929386888.db2.gz UICJOEWHNSBFLQ-SFTDATJTSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159477 929386894 /nfs/dbraw/zinc/38/68/94/929386894.db2.gz UICJOEWHNSBFLQ-SFTDATJTSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159477 929386907 /nfs/dbraw/zinc/38/69/07/929386907.db2.gz UICJOEWHNSBFLQ-SFTDATJTSA-N 2 1 358.526 3.562 20 0 FHADMP COc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1O ZINC000092405315 937326825 /nfs/dbraw/zinc/32/68/25/937326825.db2.gz RBRQKBOYLAONPC-UHFFFAOYSA-N 2 1 370.493 3.507 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000537949741 929395780 /nfs/dbraw/zinc/39/57/80/929395780.db2.gz SVYLUAMGFFBGJZ-WBMJQRKESA-N 2 1 359.739 3.965 20 0 FHADMP Fc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000657750114 937339504 /nfs/dbraw/zinc/33/95/04/937339504.db2.gz AGQPLBRQVRPTQZ-SFHVURJKSA-N 2 1 360.498 3.897 20 0 FHADMP c1ccc(C([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000180576046 929575123 /nfs/dbraw/zinc/57/51/23/929575123.db2.gz GWBWHZZLNBCMAY-LJQANCHMSA-N 2 1 350.506 3.867 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)c1 ZINC000584048046 929666777 /nfs/dbraw/zinc/66/67/77/929666777.db2.gz APEDVRNUGJYDPC-UHFFFAOYSA-N 2 1 357.473 3.704 20 0 FHADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690454 929804384 /nfs/dbraw/zinc/80/43/84/929804384.db2.gz KSGRTQXENPHBEA-MZADTFQBSA-N 2 1 365.521 3.992 20 0 FHADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690454 929804391 /nfs/dbraw/zinc/80/43/91/929804391.db2.gz KSGRTQXENPHBEA-MZADTFQBSA-N 2 1 365.521 3.992 20 0 FHADMP Cc1cccn2cc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc12 ZINC000683690845 929807031 /nfs/dbraw/zinc/80/70/31/929807031.db2.gz QQEJZHUZOOYCDV-NUNAXRQHSA-N 2 1 374.532 3.970 20 0 FHADMP O[C@H](CCc1ccccc1)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691395 929808052 /nfs/dbraw/zinc/80/80/52/929808052.db2.gz CCGXLKLCEAIWMP-UEQSERJNSA-N 2 1 364.533 3.765 20 0 FHADMP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122626689 929829421 /nfs/dbraw/zinc/82/94/21/929829421.db2.gz RZZCTMOLNASHCL-SFHVURJKSA-N 2 1 357.517 3.782 20 0 FHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122937804 929863562 /nfs/dbraw/zinc/86/35/62/929863562.db2.gz ZUCLETHJLSZPHM-KRWDZBQOSA-N 2 1 356.485 3.759 20 0 FHADMP C[C@]1(CNCc2cn3cc(Cl)ccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000382340916 930039358 /nfs/dbraw/zinc/03/93/58/930039358.db2.gz YLRPDMSWPDVIDP-OAQYLSRUSA-N 2 1 368.912 3.990 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3cnccc3c2)[C@H](c2ccccc2)C1 ZINC000683765531 930086656 /nfs/dbraw/zinc/08/66/56/930086656.db2.gz UALWKFOHHVOIGS-DEOSSOPVSA-N 2 1 374.532 3.703 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C)CCCCC1 ZINC000548041458 930113435 /nfs/dbraw/zinc/11/34/35/930113435.db2.gz XZXYIUSKHGEXLV-UHFFFAOYSA-N 2 1 363.590 3.612 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152351004 930263471 /nfs/dbraw/zinc/26/34/71/930263471.db2.gz YPKIGDSJJYXWIX-LJQANCHMSA-N 2 1 365.521 3.956 20 0 FHADMP C[NH+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152351004 930263474 /nfs/dbraw/zinc/26/34/74/930263474.db2.gz YPKIGDSJJYXWIX-LJQANCHMSA-N 2 1 365.521 3.956 20 0 FHADMP C[NH+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152351004 930263479 /nfs/dbraw/zinc/26/34/79/930263479.db2.gz YPKIGDSJJYXWIX-LJQANCHMSA-N 2 1 365.521 3.956 20 0 FHADMP COc1ccccc1OCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000580118206 930271391 /nfs/dbraw/zinc/27/13/91/930271391.db2.gz AQZAIWVOHVAKLZ-UHFFFAOYSA-N 2 1 372.484 3.510 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000156244888 937414339 /nfs/dbraw/zinc/41/43/39/937414339.db2.gz SOHIUPIAUMFGOR-QGZVFWFLSA-N 2 1 361.493 3.895 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379649127 930496461 /nfs/dbraw/zinc/49/64/61/930496461.db2.gz NZMFEPOSQHINBO-RLHVNXBHSA-N 2 1 358.526 3.751 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379649127 930496463 /nfs/dbraw/zinc/49/64/63/930496463.db2.gz NZMFEPOSQHINBO-RLHVNXBHSA-N 2 1 358.526 3.751 20 0 FHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548084213 930568146 /nfs/dbraw/zinc/56/81/46/930568146.db2.gz UTHJFPONGJMTEN-SFHVURJKSA-N 2 1 357.542 3.523 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)c1 ZINC000119041975 930575693 /nfs/dbraw/zinc/57/56/93/930575693.db2.gz HBWFKDJVBIFNQS-SFHVURJKSA-N 2 1 374.916 3.883 20 0 FHADMP c1sc(COc2ccccc2)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580445043 930684047 /nfs/dbraw/zinc/68/40/47/930684047.db2.gz GKEQHDOYAPAHIK-QGZVFWFLSA-N 2 1 357.523 3.544 20 0 FHADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000129922109 930765738 /nfs/dbraw/zinc/76/57/38/930765738.db2.gz TYLNUAUYWFIKCJ-QGZVFWFLSA-N 2 1 364.493 3.751 20 0 FHADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000129922109 930765741 /nfs/dbraw/zinc/76/57/41/930765741.db2.gz TYLNUAUYWFIKCJ-QGZVFWFLSA-N 2 1 364.493 3.751 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3CCC(C)(C)CC3)CC2)CC1 ZINC000580656516 930975460 /nfs/dbraw/zinc/97/54/60/930975460.db2.gz MMOUSXWGRIULII-UHFFFAOYSA-N 2 1 363.590 3.610 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000580836773 931249795 /nfs/dbraw/zinc/24/97/95/931249795.db2.gz KETKJVATPBMOKQ-QZTJIDSGSA-N 2 1 357.542 3.823 20 0 FHADMP c1ccc(C[C@@H]2CC[N@@H+]2C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326250 /nfs/dbraw/zinc/32/62/50/931326250.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@@H]2CCN2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326253 /nfs/dbraw/zinc/32/62/53/931326253.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@@H]2CCN2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326259 /nfs/dbraw/zinc/32/62/59/931326259.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC2CCOCC2)cc1 ZINC000656405105 931593135 /nfs/dbraw/zinc/59/31/35/931593135.db2.gz HVLYXXDRNISQBD-AFXVXQJMSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC2CCOCC2)cc1 ZINC000656405105 931593142 /nfs/dbraw/zinc/59/31/42/931593142.db2.gz HVLYXXDRNISQBD-AFXVXQJMSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC2CCOCC2)cc1 ZINC000656405105 931593148 /nfs/dbraw/zinc/59/31/48/931593148.db2.gz HVLYXXDRNISQBD-AFXVXQJMSA-N 2 1 354.538 3.646 20 0 FHADMP c1ncc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407196 931603199 /nfs/dbraw/zinc/60/31/99/931603199.db2.gz RASLDCXDNNYIKD-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407196 931603204 /nfs/dbraw/zinc/60/32/04/931603204.db2.gz RASLDCXDNNYIKD-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407196 931603206 /nfs/dbraw/zinc/60/32/06/931603206.db2.gz RASLDCXDNNYIKD-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581280376 931778868 /nfs/dbraw/zinc/77/88/68/931778868.db2.gz AJZOGRZJZHVFLW-LEWJYISDSA-N 2 1 372.553 3.952 20 0 FHADMP CC[C@H]1CCCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167454296 931830854 /nfs/dbraw/zinc/83/08/54/931830854.db2.gz SDGVYXKBPFJLAC-QFIPXVFZSA-N 2 1 371.569 3.684 20 0 FHADMP CC[C@H]1CCCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001167454296 931830862 /nfs/dbraw/zinc/83/08/62/931830862.db2.gz SDGVYXKBPFJLAC-QFIPXVFZSA-N 2 1 371.569 3.684 20 0 FHADMP CC[C@H]1CCCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001167454296 931830868 /nfs/dbraw/zinc/83/08/68/931830868.db2.gz SDGVYXKBPFJLAC-QFIPXVFZSA-N 2 1 371.569 3.684 20 0 FHADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430560609 931846544 /nfs/dbraw/zinc/84/65/44/931846544.db2.gz WRTQHABPAYQRCQ-UHFFFAOYSA-N 2 1 368.403 3.577 20 0 FHADMP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000581397308 931955514 /nfs/dbraw/zinc/95/55/14/931955514.db2.gz OSIIGMGLOWCQLK-CYBMUJFWSA-N 2 1 357.361 3.991 20 0 FHADMP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000581397308 931955517 /nfs/dbraw/zinc/95/55/17/931955517.db2.gz OSIIGMGLOWCQLK-CYBMUJFWSA-N 2 1 357.361 3.991 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656784478 932419178 /nfs/dbraw/zinc/41/91/78/932419178.db2.gz DMTIUNFKQSXMMR-INIZCTEOSA-N 2 1 354.441 3.508 20 0 FHADMP COc1sc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000656786619 932422225 /nfs/dbraw/zinc/42/22/25/932422225.db2.gz OJHVUFNKUCNXAT-CYBMUJFWSA-N 2 1 373.360 3.731 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1I ZINC000564455554 932438935 /nfs/dbraw/zinc/43/89/35/932438935.db2.gz ZXILVDOLMVSCKU-GFCCVEGCSA-N 2 1 366.246 3.601 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C4CCC4)CC3)CC23CC3)cc1 ZINC000647176314 932589896 /nfs/dbraw/zinc/58/98/96/932589896.db2.gz BNXXDWQHCDXJEU-NRFANRHFSA-N 2 1 353.554 3.790 20 0 FHADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183949 932731807 /nfs/dbraw/zinc/73/18/07/932731807.db2.gz UWKDQIWZKAPLAJ-OIBXWCBGSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183949 932731811 /nfs/dbraw/zinc/73/18/11/932731811.db2.gz UWKDQIWZKAPLAJ-OIBXWCBGSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117613 933010888 /nfs/dbraw/zinc/01/08/88/933010888.db2.gz GLIOOYSTDOJXMS-KZNAEPCWSA-N 2 1 353.551 3.629 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000430721003 933170622 /nfs/dbraw/zinc/17/06/22/933170622.db2.gz APADZUOTYUNFIB-YJMBLLCNSA-N 2 1 371.569 3.796 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000510511909 933175117 /nfs/dbraw/zinc/17/51/17/933175117.db2.gz YNHQCJRTFLGFDK-SVMVAKDDSA-N 2 1 359.533 3.694 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000510511909 933175120 /nfs/dbraw/zinc/17/51/20/933175120.db2.gz YNHQCJRTFLGFDK-SVMVAKDDSA-N 2 1 359.533 3.694 20 0 FHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751811 933202894 /nfs/dbraw/zinc/20/28/94/933202894.db2.gz CDPUUXDFPFRVJR-PLNCSYRRSA-N 2 1 355.295 3.764 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751811 933202899 /nfs/dbraw/zinc/20/28/99/933202899.db2.gz CDPUUXDFPFRVJR-PLNCSYRRSA-N 2 1 355.295 3.764 20 0 FHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000510554180 933220781 /nfs/dbraw/zinc/22/07/81/933220781.db2.gz XLEUQTKIPNUTQO-WMQCIHAUSA-N 2 1 357.542 3.509 20 0 FHADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000430934414 933440201 /nfs/dbraw/zinc/44/02/01/933440201.db2.gz MKRFBLRRGYJSJC-INIZCTEOSA-N 2 1 369.534 3.836 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000510751873 933633258 /nfs/dbraw/zinc/63/32/58/933633258.db2.gz MDTJNTRSIAEAIF-QGZVFWFLSA-N 2 1 374.475 3.908 20 0 FHADMP CCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431034025 933717801 /nfs/dbraw/zinc/71/78/01/933717801.db2.gz MAFAUXFOIGPJEO-PSBKLILYSA-N 2 1 371.569 3.696 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823460 933815215 /nfs/dbraw/zinc/81/52/15/933815215.db2.gz BNHCLXUOVNWRQD-RTBURBONSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823460 933815220 /nfs/dbraw/zinc/81/52/20/933815220.db2.gz BNHCLXUOVNWRQD-RTBURBONSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823460 933815224 /nfs/dbraw/zinc/81/52/24/933815224.db2.gz BNHCLXUOVNWRQD-RTBURBONSA-N 2 1 359.558 3.910 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837400 933833839 /nfs/dbraw/zinc/83/38/39/933833839.db2.gz LCBDVLCPYICHAP-QZTJIDSGSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837400 933833841 /nfs/dbraw/zinc/83/38/41/933833841.db2.gz LCBDVLCPYICHAP-QZTJIDSGSA-N 2 1 357.542 3.664 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837400 933833847 /nfs/dbraw/zinc/83/38/47/933833847.db2.gz LCBDVLCPYICHAP-QZTJIDSGSA-N 2 1 357.542 3.664 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000548449487 933895523 /nfs/dbraw/zinc/89/55/23/933895523.db2.gz JMENDGFONIYMKI-ZWKOTPCHSA-N 2 1 359.558 3.844 20 0 FHADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253721 933965642 /nfs/dbraw/zinc/96/56/42/933965642.db2.gz WCNFHSCJTLPNMO-MRXNPFEDSA-N 2 1 374.447 3.800 20 0 FHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253721 933965647 /nfs/dbraw/zinc/96/56/47/933965647.db2.gz WCNFHSCJTLPNMO-MRXNPFEDSA-N 2 1 374.447 3.800 20 0 FHADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253721 933965654 /nfs/dbraw/zinc/96/56/54/933965654.db2.gz WCNFHSCJTLPNMO-MRXNPFEDSA-N 2 1 374.447 3.800 20 0 FHADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253721 933965660 /nfs/dbraw/zinc/96/56/60/933965660.db2.gz WCNFHSCJTLPNMO-MRXNPFEDSA-N 2 1 374.447 3.800 20 0 FHADMP CC(C)Cc1ncc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587605 934099994 /nfs/dbraw/zinc/09/99/94/934099994.db2.gz LTECFIRILHFQSF-CALCHBBNSA-N 2 1 365.587 3.663 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247548698 934158483 /nfs/dbraw/zinc/15/84/83/934158483.db2.gz SAWLTONGZPUEAP-HCXYKTFWSA-N 2 1 357.542 3.590 20 0 FHADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1OCC[NH+](C)C ZINC000458193486 934365322 /nfs/dbraw/zinc/36/53/22/934365322.db2.gz IVMSKPTYPVAFSE-GOSISDBHSA-N 2 1 373.541 3.529 20 0 FHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535810063 934402134 /nfs/dbraw/zinc/40/21/34/934402134.db2.gz ZAEHVQRAYHNINH-UTKZUKDTSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535810063 934402137 /nfs/dbraw/zinc/40/21/37/934402137.db2.gz ZAEHVQRAYHNINH-UTKZUKDTSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535810063 934402140 /nfs/dbraw/zinc/40/21/40/934402140.db2.gz ZAEHVQRAYHNINH-UTKZUKDTSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535810063 934402146 /nfs/dbraw/zinc/40/21/46/934402146.db2.gz ZAEHVQRAYHNINH-UTKZUKDTSA-N 2 1 351.494 3.692 20 0 FHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000277124747 934537958 /nfs/dbraw/zinc/53/79/58/934537958.db2.gz IBJKITICPQOZHT-CQSZACIVSA-N 2 1 358.313 3.738 20 0 FHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1Oc1ccccc1 ZINC000182967715 934656898 /nfs/dbraw/zinc/65/68/98/934656898.db2.gz YYGVEXVDBRIWKE-UHFFFAOYSA-N 2 1 353.510 3.548 20 0 FHADMP CC(C)[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236599450 934743433 /nfs/dbraw/zinc/74/34/33/934743433.db2.gz CTZYOTKHLZLUMN-UHFFFAOYSA-N 2 1 365.315 3.687 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000236728128 934768735 /nfs/dbraw/zinc/76/87/35/934768735.db2.gz GIPWWGIFQBBLGQ-FRIKZZABSA-N 2 1 371.569 3.846 20 0 FHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000548515786 934771606 /nfs/dbraw/zinc/77/16/06/934771606.db2.gz MVBJRTUNCVFCPL-HXUWFJFHSA-N 2 1 372.557 3.517 20 0 FHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000548515786 934771608 /nfs/dbraw/zinc/77/16/08/934771608.db2.gz MVBJRTUNCVFCPL-HXUWFJFHSA-N 2 1 372.557 3.517 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@@H](c4[nH+]ccn4C)C3)c2cc1OCC ZINC000535915797 934786679 /nfs/dbraw/zinc/78/66/79/934786679.db2.gz WVVCUJTWDFFVKK-OAHLLOKOSA-N 2 1 366.465 3.760 20 0 FHADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590732 934879755 /nfs/dbraw/zinc/87/97/55/934879755.db2.gz MAZRFBUVRHIZKX-HUUCEWRRSA-N 2 1 351.332 3.943 20 0 FHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000439909352 945071803 /nfs/dbraw/zinc/07/18/03/945071803.db2.gz FNOPMGMFXJZGLK-PZJWPPBQSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909352 945071806 /nfs/dbraw/zinc/07/18/06/945071806.db2.gz FNOPMGMFXJZGLK-PZJWPPBQSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909352 945071820 /nfs/dbraw/zinc/07/18/20/945071820.db2.gz FNOPMGMFXJZGLK-PZJWPPBQSA-N 2 1 372.557 3.703 20 0 FHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472109959 935053378 /nfs/dbraw/zinc/05/33/78/935053378.db2.gz FXADVXDDOAXTDH-TZIWHRDSSA-N 2 1 374.573 3.585 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000071954570 935079170 /nfs/dbraw/zinc/07/91/70/935079170.db2.gz JLYKKNHIDSHJQC-LJQANCHMSA-N 2 1 373.585 3.870 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657309488 935087782 /nfs/dbraw/zinc/08/77/82/935087782.db2.gz DUCWYAIWGFAUON-QGZVFWFLSA-N 2 1 353.514 3.525 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657309488 935087789 /nfs/dbraw/zinc/08/77/89/935087789.db2.gz DUCWYAIWGFAUON-QGZVFWFLSA-N 2 1 353.514 3.525 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657310732 935092018 /nfs/dbraw/zinc/09/20/18/935092018.db2.gz RUEQFSAYVXHJMA-GOSISDBHSA-N 2 1 352.526 3.957 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000582050972 935177362 /nfs/dbraw/zinc/17/73/62/935177362.db2.gz SOCCRGYWWJMISX-QFBILLFUSA-N 2 1 372.538 3.672 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000157851336 935211671 /nfs/dbraw/zinc/21/16/71/935211671.db2.gz HPVGKFOVAHSSJZ-ROUUACIJSA-N 2 1 359.514 3.948 20 0 FHADMP CC1CC[NH+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)CC1 ZINC000511777584 945085851 /nfs/dbraw/zinc/08/58/51/945085851.db2.gz NRWCQTMXIUQELT-UHFFFAOYSA-N 2 1 372.582 3.726 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657338183 935265010 /nfs/dbraw/zinc/26/50/10/935265010.db2.gz IKHCIANHPXACGO-INIZCTEOSA-N 2 1 358.555 3.751 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657338183 935265012 /nfs/dbraw/zinc/26/50/12/935265012.db2.gz IKHCIANHPXACGO-INIZCTEOSA-N 2 1 358.555 3.751 20 0 FHADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000657338778 935272356 /nfs/dbraw/zinc/27/23/56/935272356.db2.gz UMSQAHQIYSJXIY-OAHLLOKOSA-N 2 1 350.553 3.958 20 0 FHADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000657338778 935272361 /nfs/dbraw/zinc/27/23/61/935272361.db2.gz UMSQAHQIYSJXIY-OAHLLOKOSA-N 2 1 350.553 3.958 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+][C@@H](CN3CC[NH+](C)CC3)c3ccccc3)cc21 ZINC000657344790 935297572 /nfs/dbraw/zinc/29/75/72/935297572.db2.gz DGIASCHNDFQGBC-QHCPKHFHSA-N 2 1 362.521 3.555 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947601 935309204 /nfs/dbraw/zinc/30/92/04/935309204.db2.gz FDVKYYJFNGQWFK-HCXYKTFWSA-N 2 1 365.562 3.629 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000563276492 935378747 /nfs/dbraw/zinc/37/87/47/935378747.db2.gz ZCQJNPOUUZNLGO-KRWDZBQOSA-N 2 1 360.420 3.737 20 0 FHADMP CC[C@](O)(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558323 935451600 /nfs/dbraw/zinc/45/16/00/935451600.db2.gz LVOULVZJHULQJG-MOPGFXCFSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@](O)(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558323 935451603 /nfs/dbraw/zinc/45/16/03/935451603.db2.gz LVOULVZJHULQJG-MOPGFXCFSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@](O)(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558323 935451604 /nfs/dbraw/zinc/45/16/04/935451604.db2.gz LVOULVZJHULQJG-MOPGFXCFSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@](O)(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558323 935451607 /nfs/dbraw/zinc/45/16/07/935451607.db2.gz LVOULVZJHULQJG-MOPGFXCFSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558325 935451788 /nfs/dbraw/zinc/45/17/88/935451788.db2.gz LVOULVZJHULQJG-RBUKOAKNSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558325 935451791 /nfs/dbraw/zinc/45/17/91/935451791.db2.gz LVOULVZJHULQJG-RBUKOAKNSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558325 935451793 /nfs/dbraw/zinc/45/17/93/935451793.db2.gz LVOULVZJHULQJG-RBUKOAKNSA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@@](O)(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558325 935451795 /nfs/dbraw/zinc/45/17/95/935451795.db2.gz LVOULVZJHULQJG-RBUKOAKNSA-N 2 1 370.459 3.678 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657414895 935630406 /nfs/dbraw/zinc/63/04/06/935630406.db2.gz FWIDCIAHAZYKBW-WIYYLYMNSA-N 2 1 352.526 3.683 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000657428788 935703371 /nfs/dbraw/zinc/70/33/71/935703371.db2.gz BCUIHHISVKWRFP-QFIPXVFZSA-N 2 1 368.521 3.640 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000657431336 935715518 /nfs/dbraw/zinc/71/55/18/935715518.db2.gz ZWKMHSZZRSROPC-CMKODMSKSA-N 2 1 360.542 3.843 20 0 FHADMP Cn1c2ccccc2cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1=O ZINC000563358469 935717157 /nfs/dbraw/zinc/71/71/57/935717157.db2.gz YIHATTHDYIMWHD-LJQANCHMSA-N 2 1 367.537 3.627 20 0 FHADMP Cn1c2ccccc2cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1=O ZINC000563358469 935717162 /nfs/dbraw/zinc/71/71/62/935717162.db2.gz YIHATTHDYIMWHD-LJQANCHMSA-N 2 1 367.537 3.627 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccccn2)CC1 ZINC000159018250 935783809 /nfs/dbraw/zinc/78/38/09/935783809.db2.gz IURJOFZMKJWELH-DLBZAZTESA-N 2 1 356.489 3.774 20 0 FHADMP CCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000582514072 935786217 /nfs/dbraw/zinc/78/62/17/935786217.db2.gz JFIYBQKTPLQNGR-MRXNPFEDSA-N 2 1 368.468 3.850 20 0 FHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(F)c(F)c3F)cc2)CC1 ZINC000657460021 935819976 /nfs/dbraw/zinc/81/99/76/935819976.db2.gz ONHHBQYOFQEXDP-UHFFFAOYSA-N 2 1 364.411 3.867 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000152842971 935870680 /nfs/dbraw/zinc/87/06/80/935870680.db2.gz BLEXZPRXYQMTSJ-QFIPXVFZSA-N 2 1 353.510 3.838 20 0 FHADMP Cn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000133526610 935977285 /nfs/dbraw/zinc/97/72/85/935977285.db2.gz LPFPWVREDMNUFN-UHFFFAOYSA-N 2 1 374.532 3.884 20 0 FHADMP CCSc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597021 936072868 /nfs/dbraw/zinc/07/28/68/936072868.db2.gz QRWDLYWYVFHWKV-HXUWFJFHSA-N 2 1 356.535 3.655 20 0 FHADMP C[C@H](CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237475581 936074981 /nfs/dbraw/zinc/07/49/81/936074981.db2.gz URIJDAVWTNCGSG-WOIUINJBSA-N 2 1 371.569 3.561 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)oc4ccccc43)cc2)C1 ZINC000657594880 936075946 /nfs/dbraw/zinc/07/59/46/936075946.db2.gz FDXUOBVLJYGTSF-KRWDZBQOSA-N 2 1 370.880 3.943 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000657594914 936075964 /nfs/dbraw/zinc/07/59/64/936075964.db2.gz KZXFAPILIUMUBV-GOSISDBHSA-N 2 1 365.304 3.850 20 0 FHADMP CC(C)Sc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000511195538 936100170 /nfs/dbraw/zinc/10/01/70/936100170.db2.gz DDEWFZWFCJXDHJ-WIYYLYMNSA-N 2 1 361.599 3.645 20 0 FHADMP CC(C)Sc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000511195538 936100172 /nfs/dbraw/zinc/10/01/72/936100172.db2.gz DDEWFZWFCJXDHJ-WIYYLYMNSA-N 2 1 361.599 3.645 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000519601242 945159730 /nfs/dbraw/zinc/15/97/30/945159730.db2.gz FVNAEFVEKODEFA-LJQANCHMSA-N 2 1 371.569 3.613 20 0 FHADMP Fc1cccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]2CCCO2)c1 ZINC000583446057 938256290 /nfs/dbraw/zinc/25/62/90/938256290.db2.gz MGPGVUIQTMOSRP-QFIPXVFZSA-N 2 1 354.469 3.653 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706353 938285836 /nfs/dbraw/zinc/28/58/36/938285836.db2.gz JCBXYCGDSLZROL-NUTKFTJISA-N 2 1 373.324 3.720 20 0 FHADMP C[N@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000151029756 938286534 /nfs/dbraw/zinc/28/65/34/938286534.db2.gz JGCBMUXXHSQMNS-UHFFFAOYSA-N 2 1 369.528 3.554 20 0 FHADMP C[N@@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000151029756 938286536 /nfs/dbraw/zinc/28/65/36/938286536.db2.gz JGCBMUXXHSQMNS-UHFFFAOYSA-N 2 1 369.528 3.554 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706770 938286750 /nfs/dbraw/zinc/28/67/50/938286750.db2.gz RWMISOSQFSGIGH-NSHGMRRFSA-N 2 1 371.550 3.837 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000650708349 938288280 /nfs/dbraw/zinc/28/82/80/938288280.db2.gz YFQAZXPSSSVRAP-CPUCHLNUSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707178 938289134 /nfs/dbraw/zinc/28/91/34/938289134.db2.gz ZZQWVGHWNVABSF-VBQJREDUSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3Cl)C2)C1 ZINC000650707329 938289244 /nfs/dbraw/zinc/28/92/44/938289244.db2.gz CVQBCEZTMHRCJA-UXIGCNINSA-N 2 1 361.288 3.851 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C2)C1 ZINC000650707329 938289246 /nfs/dbraw/zinc/28/92/46/938289246.db2.gz CVQBCEZTMHRCJA-UXIGCNINSA-N 2 1 361.288 3.851 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000650719684 938308343 /nfs/dbraw/zinc/30/83/43/938308343.db2.gz ZBLMTVWLXVRVPB-UHFFFAOYSA-N 2 1 367.474 3.548 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722798 938309922 /nfs/dbraw/zinc/30/99/22/938309922.db2.gz BKYCVQXTPCKKFL-NEWSRXKRSA-N 2 1 357.523 3.671 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000650723136 938310246 /nfs/dbraw/zinc/31/02/46/938310246.db2.gz HVSVSHARNSLRLK-KBAYOESNSA-N 2 1 367.331 3.618 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723396 938310696 /nfs/dbraw/zinc/31/06/96/938310696.db2.gz NHVMIVMVIIALSK-NZSAHSFTSA-N 2 1 357.523 3.671 20 0 FHADMP CCCn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772988 938314295 /nfs/dbraw/zinc/31/42/95/938314295.db2.gz PMIXJOLFWUDBPQ-FQEVSTJZSA-N 2 1 352.526 3.685 20 0 FHADMP CCCn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772988 938314296 /nfs/dbraw/zinc/31/42/96/938314296.db2.gz PMIXJOLFWUDBPQ-FQEVSTJZSA-N 2 1 352.526 3.685 20 0 FHADMP c1ccc(C[NH+]2C[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317317 /nfs/dbraw/zinc/31/73/17/938317317.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317319 /nfs/dbraw/zinc/31/73/19/938317319.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317321 /nfs/dbraw/zinc/31/73/21/938317321.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317324 /nfs/dbraw/zinc/31/73/24/938317324.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317326 /nfs/dbraw/zinc/31/73/26/938317326.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317328 /nfs/dbraw/zinc/31/73/28/938317328.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317330 /nfs/dbraw/zinc/31/73/30/938317330.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 3 1 353.554 3.505 20 0 FHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000583761688 938395120 /nfs/dbraw/zinc/39/51/20/938395120.db2.gz ZHSQJXSRJNYFLZ-IBGZPJMESA-N 2 1 365.949 3.523 20 0 FHADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650751901 938397618 /nfs/dbraw/zinc/39/76/18/938397618.db2.gz DWCOQLWVYIVZTB-NSHDSACASA-N 2 1 352.837 3.806 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000151141463 938411173 /nfs/dbraw/zinc/41/11/73/938411173.db2.gz RBYWUWSMQCVKDU-INIZCTEOSA-N 2 1 367.940 3.765 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000151165735 938438396 /nfs/dbraw/zinc/43/83/96/938438396.db2.gz KIUGNOIXLLMIFZ-FVRICEFQSA-N 2 1 367.537 3.673 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000151165735 938438398 /nfs/dbraw/zinc/43/83/98/938438398.db2.gz KIUGNOIXLLMIFZ-FVRICEFQSA-N 2 1 367.537 3.673 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151392927 938538847 /nfs/dbraw/zinc/53/88/47/938538847.db2.gz FYAHCVKGJVWFDI-CTNGQTDRSA-N 2 1 362.583 3.789 20 0 FHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657819338 938552561 /nfs/dbraw/zinc/55/25/61/938552561.db2.gz VTQURPFXUOQVHB-NVXWUHKLSA-N 2 1 370.522 3.529 20 0 FHADMP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825728 938582765 /nfs/dbraw/zinc/58/27/65/938582765.db2.gz BRYWZPGHFHXBGI-HNNXBMFYSA-N 2 1 374.326 3.943 20 0 FHADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825728 938582766 /nfs/dbraw/zinc/58/27/66/938582766.db2.gz BRYWZPGHFHXBGI-HNNXBMFYSA-N 2 1 374.326 3.943 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc2cnccc2o1 ZINC000657824815 938585333 /nfs/dbraw/zinc/58/53/33/938585333.db2.gz VUHYQFFCFUUZLT-INIZCTEOSA-N 2 1 351.450 3.511 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000569640774 938612427 /nfs/dbraw/zinc/61/24/27/938612427.db2.gz KEAKJFPBLQMQMW-WIYYLYMNSA-N 2 1 362.521 3.987 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000569640774 938612428 /nfs/dbraw/zinc/61/24/28/938612428.db2.gz KEAKJFPBLQMQMW-WIYYLYMNSA-N 2 1 362.521 3.987 20 0 FHADMP Cc1csc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279657732 938640414 /nfs/dbraw/zinc/64/04/14/938640414.db2.gz LIHKZYAIUVNXIP-GOSISDBHSA-N 2 1 355.979 3.559 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657837163 938669546 /nfs/dbraw/zinc/66/95/46/938669546.db2.gz QXZVYBMTZHIBHC-CVDCTZTESA-N 2 1 374.569 3.982 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712767304 945198284 /nfs/dbraw/zinc/19/82/84/945198284.db2.gz DARJGBARYOLGQD-PMACEKPBSA-N 2 1 358.526 3.562 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712767304 945198297 /nfs/dbraw/zinc/19/82/97/945198297.db2.gz DARJGBARYOLGQD-PMACEKPBSA-N 2 1 358.526 3.562 20 0 FHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000090115112 938876683 /nfs/dbraw/zinc/87/66/83/938876683.db2.gz GMMUIJUVKBAKJK-UHFFFAOYSA-N 2 1 354.494 3.563 20 0 FHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C)c1O ZINC000507407950 945213529 /nfs/dbraw/zinc/21/35/29/945213529.db2.gz UIBHEWJEQYIYLA-KDURUIRLSA-N 2 1 368.521 3.908 20 0 FHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C2CC2)cc1 ZINC000091315258 938899899 /nfs/dbraw/zinc/89/98/99/938899899.db2.gz HCQXRWIAGCLIGO-HSZRJFAPSA-N 2 1 365.521 3.838 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000708545988 938913510 /nfs/dbraw/zinc/91/35/10/938913510.db2.gz WFVKGCKFHPQVAU-PXNSSMCTSA-N 2 1 354.494 3.562 20 0 FHADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000657874146 938964141 /nfs/dbraw/zinc/96/41/41/938964141.db2.gz RAEJDDSGPRDEIV-IBGZPJMESA-N 2 1 350.934 3.896 20 0 FHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431567730 938975590 /nfs/dbraw/zinc/97/55/90/938975590.db2.gz WWSHGMAWULDXSW-WOJBJXKFSA-N 2 1 373.541 3.720 20 0 FHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567730 938975591 /nfs/dbraw/zinc/97/55/91/938975591.db2.gz WWSHGMAWULDXSW-WOJBJXKFSA-N 2 1 373.541 3.720 20 0 FHADMP Cn1cnc2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443100 938986864 /nfs/dbraw/zinc/98/68/64/938986864.db2.gz WOUGZRVUKGGKKH-QHCPKHFHSA-N 2 1 360.505 3.671 20 0 FHADMP Cn1cnc2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443100 938986865 /nfs/dbraw/zinc/98/68/65/938986865.db2.gz WOUGZRVUKGGKKH-QHCPKHFHSA-N 2 1 360.505 3.671 20 0 FHADMP Cn1cnc2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443100 938986866 /nfs/dbraw/zinc/98/68/66/938986866.db2.gz WOUGZRVUKGGKKH-QHCPKHFHSA-N 2 1 360.505 3.671 20 0 FHADMP Cn1cnc2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443100 938986867 /nfs/dbraw/zinc/98/68/67/938986867.db2.gz WOUGZRVUKGGKKH-QHCPKHFHSA-N 2 1 360.505 3.671 20 0 FHADMP C[N@@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457332 938987894 /nfs/dbraw/zinc/98/78/94/938987894.db2.gz APUIZYRJNFCAHM-OAQYLSRUSA-N 2 1 371.569 3.608 20 0 FHADMP Cc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000685457788 938987989 /nfs/dbraw/zinc/98/79/89/938987989.db2.gz NRZACBWGGHSHGP-OAQYLSRUSA-N 2 1 367.537 3.855 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657890874 938988079 /nfs/dbraw/zinc/98/80/79/938988079.db2.gz SPDZWTILLROXRN-FQEVSTJZSA-N 2 1 350.466 3.733 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000657904941 938995538 /nfs/dbraw/zinc/99/55/38/938995538.db2.gz VVTXLGPIAICZDA-UZLBHIALSA-N 2 1 357.498 3.663 20 0 FHADMP Cc1cccc(C[NH+]2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279670817 938997805 /nfs/dbraw/zinc/99/78/05/938997805.db2.gz FCSFKLBAYVVEBH-UHFFFAOYSA-N 2 1 363.977 3.888 20 0 FHADMP Cc1cccc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c1Cl ZINC001279670817 938997806 /nfs/dbraw/zinc/99/78/06/938997806.db2.gz FCSFKLBAYVVEBH-UHFFFAOYSA-N 2 1 363.977 3.888 20 0 FHADMP Cc1ccncc1CN1CCCC2(CCC[N@@H+](Cc3cnccc3C)C2)C1 ZINC000685593201 939003101 /nfs/dbraw/zinc/00/31/01/939003101.db2.gz NFSUEWJGGIVBGN-UHFFFAOYSA-N 2 1 364.537 3.972 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000650862320 939007784 /nfs/dbraw/zinc/00/77/84/939007784.db2.gz XGSHKYFZQMDJQO-QFIPXVFZSA-N 2 1 369.509 3.516 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657930186 939008949 /nfs/dbraw/zinc/00/89/49/939008949.db2.gz BJXKRMULAPBJQI-VJBMBRPKSA-N 2 1 374.569 3.708 20 0 FHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000685657934 939009845 /nfs/dbraw/zinc/00/98/45/939009845.db2.gz TZPIDQOTPBIBHW-MRXNPFEDSA-N 2 1 365.949 3.655 20 0 FHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000685657934 939009846 /nfs/dbraw/zinc/00/98/46/939009846.db2.gz TZPIDQOTPBIBHW-MRXNPFEDSA-N 2 1 365.949 3.655 20 0 FHADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657982042 939016063 /nfs/dbraw/zinc/01/60/63/939016063.db2.gz LHNKYZFRDSJAEB-KRWDZBQOSA-N 2 1 350.304 3.582 20 0 FHADMP C[C@@H](Cn1cncn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658004092 939018462 /nfs/dbraw/zinc/01/84/62/939018462.db2.gz BKHOLUIZYCSXNG-PXWCZTGZSA-N 2 1 373.932 3.524 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658028324 939018648 /nfs/dbraw/zinc/01/86/48/939018648.db2.gz CEDMBYVEPYFSRD-CSNJMZFVSA-N 2 1 351.332 3.985 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658019638 939018922 /nfs/dbraw/zinc/01/89/22/939018922.db2.gz UAADBRZXUIOVBU-GOTSBHOMSA-N 2 1 374.569 3.710 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102625 939026544 /nfs/dbraw/zinc/02/65/44/939026544.db2.gz ZJWAGSMNJZWUDE-SIKLNZKXSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102625 939026547 /nfs/dbraw/zinc/02/65/47/939026547.db2.gz ZJWAGSMNJZWUDE-SIKLNZKXSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134705 939030120 /nfs/dbraw/zinc/03/01/20/939030120.db2.gz BGCWJKQOFRIQNA-GEALJGNFSA-N 2 1 356.535 3.597 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134707 939030250 /nfs/dbraw/zinc/03/02/50/939030250.db2.gz BGCWJKQOFRIQNA-JOCLIGHLSA-N 2 1 356.535 3.597 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142145 939035390 /nfs/dbraw/zinc/03/53/90/939035390.db2.gz VBRKOFRAQOQURA-XMSQKQJNSA-N 2 1 352.522 3.709 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141274 939035424 /nfs/dbraw/zinc/03/54/24/939035424.db2.gz SKTBIFSBCSDIKZ-KDOFPFPSSA-N 2 1 362.876 3.897 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137169 939040475 /nfs/dbraw/zinc/04/04/75/939040475.db2.gz JHVYIPCEPPNIIN-YADHBBJMSA-N 2 1 354.469 3.633 20 0 FHADMP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140276 939044143 /nfs/dbraw/zinc/04/41/43/939044143.db2.gz PKHCIWWVGCGPOB-GCJKJVERSA-N 2 1 368.521 3.893 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 ZINC000658236344 939078436 /nfs/dbraw/zinc/07/84/36/939078436.db2.gz SLLCAOBWXNVGTR-AQKFKSFVSA-N 2 1 363.509 3.976 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCCCC1 ZINC000658306914 939096366 /nfs/dbraw/zinc/09/63/66/939096366.db2.gz GJUOYKBDTMVPHI-KRWDZBQOSA-N 2 1 368.525 3.918 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nsc3ccccc23)[C@@H](C)C1 ZINC000658318861 939110493 /nfs/dbraw/zinc/11/04/93/939110493.db2.gz TURNBKNTDTUTIY-FUHWJXTLSA-N 2 1 361.555 3.565 20 0 FHADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320430 939111164 /nfs/dbraw/zinc/11/11/64/939111164.db2.gz XUNGJNDJXBQMFS-CTNGQTDRSA-N 2 1 352.526 3.554 20 0 FHADMP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319495 939111275 /nfs/dbraw/zinc/11/12/75/939111275.db2.gz CVDXVOUTZVUXHF-QUCCMNQESA-N 2 1 350.510 3.738 20 0 FHADMP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319495 939111279 /nfs/dbraw/zinc/11/12/79/939111279.db2.gz CVDXVOUTZVUXHF-QUCCMNQESA-N 2 1 350.510 3.738 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000507429561 945231622 /nfs/dbraw/zinc/23/16/22/945231622.db2.gz PCVUJJHVIJNSLN-BQJUDKOJSA-N 2 1 354.494 3.857 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000507429561 945231631 /nfs/dbraw/zinc/23/16/31/945231631.db2.gz PCVUJJHVIJNSLN-BQJUDKOJSA-N 2 1 354.494 3.857 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000519228274 945233467 /nfs/dbraw/zinc/23/34/67/945233467.db2.gz CZSGVNBAXCGGJV-LJQANCHMSA-N 2 1 371.569 3.798 20 0 FHADMP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519229082 945233867 /nfs/dbraw/zinc/23/38/67/945233867.db2.gz MUKYPUFOEOCNDI-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519229082 945233879 /nfs/dbraw/zinc/23/38/79/945233879.db2.gz MUKYPUFOEOCNDI-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519229082 945233889 /nfs/dbraw/zinc/23/38/89/945233889.db2.gz MUKYPUFOEOCNDI-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519229082 945233895 /nfs/dbraw/zinc/23/38/95/945233895.db2.gz MUKYPUFOEOCNDI-SFHVURJKSA-N 2 1 372.534 3.797 20 0 FHADMP CC(C)C[C@H](C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414901247 945244700 /nfs/dbraw/zinc/24/47/00/945244700.db2.gz JKWJKNJIDDKROL-GOSISDBHSA-N 2 1 357.502 3.550 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000427276400 945245917 /nfs/dbraw/zinc/24/59/17/945245917.db2.gz WNYYBYZAIGAILQ-LJQANCHMSA-N 2 1 359.558 3.705 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506448783 945260034 /nfs/dbraw/zinc/26/00/34/945260034.db2.gz VGDQTXQPOQDJNX-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506448783 945260048 /nfs/dbraw/zinc/26/00/48/945260048.db2.gz VGDQTXQPOQDJNX-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506448783 945260055 /nfs/dbraw/zinc/26/00/55/945260055.db2.gz VGDQTXQPOQDJNX-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506448783 945260061 /nfs/dbraw/zinc/26/00/61/945260061.db2.gz VGDQTXQPOQDJNX-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506448785 945260425 /nfs/dbraw/zinc/26/04/25/945260425.db2.gz VGDQTXQPOQDJNX-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506448785 945260429 /nfs/dbraw/zinc/26/04/29/945260429.db2.gz VGDQTXQPOQDJNX-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506448785 945260436 /nfs/dbraw/zinc/26/04/36/945260436.db2.gz VGDQTXQPOQDJNX-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506448785 945260441 /nfs/dbraw/zinc/26/04/41/945260441.db2.gz VGDQTXQPOQDJNX-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP CCCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)n1 ZINC000507497020 945268692 /nfs/dbraw/zinc/26/86/92/945268692.db2.gz QKJYPFNPMHYXGN-MDNUFGMLSA-N 2 1 366.553 3.992 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)Cc2ccccc2)CC1 ZINC000685745669 939890625 /nfs/dbraw/zinc/89/06/25/939890625.db2.gz LKTLKBSHYQUMKN-JOCHJYFZSA-N 2 1 373.585 3.868 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000685745669 939890627 /nfs/dbraw/zinc/89/06/27/939890627.db2.gz LKTLKBSHYQUMKN-JOCHJYFZSA-N 2 1 373.585 3.868 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000516854784 945295029 /nfs/dbraw/zinc/29/50/29/945295029.db2.gz KHPTUKJOBCEQNJ-LEOXJPRUSA-N 2 1 350.506 3.801 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652135563 945308725 /nfs/dbraw/zinc/30/87/25/945308725.db2.gz UYWDHBDGVHXJBU-QGZVFWFLSA-N 2 1 350.503 3.628 20 0 FHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991809 945311467 /nfs/dbraw/zinc/31/14/67/945311467.db2.gz XTDCFNMHQCUAFU-FGZHOGPDSA-N 2 1 372.553 3.607 20 0 FHADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OCc1cccs1 ZINC000066236749 940341886 /nfs/dbraw/zinc/34/18/86/940341886.db2.gz LZOLUHDSNHHFIQ-UHFFFAOYSA-N 2 1 360.523 3.911 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497710 940376487 /nfs/dbraw/zinc/37/64/87/940376487.db2.gz SGGHXWZCHOPZAH-YLJYHZDGSA-N 2 1 360.933 3.761 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647497728 940376829 /nfs/dbraw/zinc/37/68/29/940376829.db2.gz SVIQGNVNKBFOPM-FPOVZHCZSA-N 2 1 353.510 3.837 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)C1 ZINC000685840047 940430608 /nfs/dbraw/zinc/43/06/08/940430608.db2.gz IQKNDFRFJUYNTI-CALCHBBNSA-N 2 1 363.509 3.677 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414069808 940476109 /nfs/dbraw/zinc/47/61/09/940476109.db2.gz JOGKFCKQNPCPGQ-FUHWJXTLSA-N 2 1 359.539 3.585 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000414069808 940476113 /nfs/dbraw/zinc/47/61/13/940476113.db2.gz JOGKFCKQNPCPGQ-FUHWJXTLSA-N 2 1 359.539 3.585 20 0 FHADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000414070126 940476751 /nfs/dbraw/zinc/47/67/51/940476751.db2.gz CDBQPVMQZFFHRO-ROUUACIJSA-N 2 1 352.563 3.593 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000414090470 940495713 /nfs/dbraw/zinc/49/57/13/940495713.db2.gz DERAOCGUHBBKRB-MSOLQXFVSA-N 2 1 360.546 3.634 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414130792 940643851 /nfs/dbraw/zinc/64/38/51/940643851.db2.gz WWHXHZHRKCPOGR-RLLQIKCJSA-N 2 1 350.934 3.803 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000414172450 940708684 /nfs/dbraw/zinc/70/86/84/940708684.db2.gz FERHPQIPOJCDBH-KGLIPLIRSA-N 2 1 355.320 3.840 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000414172449 940708720 /nfs/dbraw/zinc/70/87/20/940708720.db2.gz FERHPQIPOJCDBH-KBPBESRZSA-N 2 1 355.320 3.840 20 0 FHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000414173068 940709265 /nfs/dbraw/zinc/70/92/65/940709265.db2.gz FKCXKVNKZWLMMS-NSISKUIASA-N 2 1 350.934 3.752 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414174679 940711863 /nfs/dbraw/zinc/71/18/63/940711863.db2.gz GSHVLWKSKZULMU-UGKGYDQZSA-N 2 1 353.510 3.696 20 0 FHADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189911 940737429 /nfs/dbraw/zinc/73/74/29/940737429.db2.gz RNEVGFAUCDKVKM-ZBFHGGJFSA-N 2 1 361.921 3.612 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000414296425 940912646 /nfs/dbraw/zinc/91/26/46/940912646.db2.gz RKNYGXKVHCECRL-BEFAXECRSA-N 2 1 353.441 3.747 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CCCC1)C1CCCCC1 ZINC000658981388 940968332 /nfs/dbraw/zinc/96/83/32/940968332.db2.gz CDPFPEJNHQNACP-UHFFFAOYSA-N 2 1 358.530 3.844 20 0 FHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414326421 940980717 /nfs/dbraw/zinc/98/07/17/940980717.db2.gz ANOFECPCAJNLSC-MHMIHQHRSA-N 2 1 356.554 3.818 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134392583 941064727 /nfs/dbraw/zinc/06/47/27/941064727.db2.gz BZHJDPXUTOWEHK-NVXWUHKLSA-N 2 1 357.325 3.807 20 0 FHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000685928196 941085498 /nfs/dbraw/zinc/08/54/98/941085498.db2.gz ARBXWNCNMDLVCH-MOPGFXCFSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000685928196 941085499 /nfs/dbraw/zinc/08/54/99/941085499.db2.gz ARBXWNCNMDLVCH-MOPGFXCFSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000685928196 941085502 /nfs/dbraw/zinc/08/55/02/941085502.db2.gz ARBXWNCNMDLVCH-MOPGFXCFSA-N 2 1 374.573 3.589 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000511509670 941090316 /nfs/dbraw/zinc/09/03/16/941090316.db2.gz YDPHYMUQKNUGMK-UHFFFAOYSA-N 2 1 359.558 3.958 20 0 FHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000892677212 941155173 /nfs/dbraw/zinc/15/51/73/941155173.db2.gz WJANFLIJIJTOJQ-KRWDZBQOSA-N 2 1 370.541 3.591 20 0 FHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000892677212 941155174 /nfs/dbraw/zinc/15/51/74/941155174.db2.gz WJANFLIJIJTOJQ-KRWDZBQOSA-N 2 1 370.541 3.591 20 0 FHADMP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000892680125 941214674 /nfs/dbraw/zinc/21/46/74/941214674.db2.gz UYWTZACTQVKUFO-UHFFFAOYSA-N 2 1 373.541 3.818 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425044966 941269930 /nfs/dbraw/zinc/26/99/30/941269930.db2.gz SHROIUVBDNWDHU-CQSZACIVSA-N 2 1 364.559 3.503 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425044966 941269932 /nfs/dbraw/zinc/26/99/32/941269932.db2.gz SHROIUVBDNWDHU-CQSZACIVSA-N 2 1 364.559 3.503 20 0 FHADMP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425044966 941269936 /nfs/dbraw/zinc/26/99/36/941269936.db2.gz SHROIUVBDNWDHU-CQSZACIVSA-N 2 1 364.559 3.503 20 0 FHADMP COc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180141459 941352948 /nfs/dbraw/zinc/35/29/48/941352948.db2.gz YGSGSXBTDGDBOV-VYTWWXLVSA-N 2 1 366.505 3.514 20 0 FHADMP OC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076717 941513026 /nfs/dbraw/zinc/51/30/26/941513026.db2.gz HRPYJKHMLLADMF-GUJLLPCUSA-N 2 1 362.517 3.993 20 0 FHADMP OC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076716 941513198 /nfs/dbraw/zinc/51/31/98/941513198.db2.gz HRPYJKHMLLADMF-DCIKREJASA-N 2 1 362.517 3.993 20 0 FHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c2cc(N)ccc2O1 ZINC000415032914 941556689 /nfs/dbraw/zinc/55/66/89/941556689.db2.gz JJYHROQTYUPGLM-RLLQIKCJSA-N 2 1 351.494 3.954 20 0 FHADMP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047571 941565040 /nfs/dbraw/zinc/56/50/40/941565040.db2.gz DXXWYCAVBKISHA-VMVNJLDWSA-N 2 1 361.961 3.782 20 0 FHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415052939 941568199 /nfs/dbraw/zinc/56/81/99/941568199.db2.gz JDGVUAVGLVHISV-LBPRGKRZSA-N 2 1 351.235 3.514 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057105 941576560 /nfs/dbraw/zinc/57/65/60/941576560.db2.gz TYUCSSMVVXVHJU-NQIIRXRSSA-N 2 1 352.526 3.960 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000415069168 941584863 /nfs/dbraw/zinc/58/48/63/941584863.db2.gz OEZPQLYULDBCGU-OAHLLOKOSA-N 2 1 370.522 3.899 20 0 FHADMP CCOc1ccc(F)c(F)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001143489675 941592142 /nfs/dbraw/zinc/59/21/42/941592142.db2.gz BQRXQQRYGDMSFH-UHFFFAOYSA-N 2 1 361.436 3.806 20 0 FHADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2)CC1 ZINC000415082204 941592501 /nfs/dbraw/zinc/59/25/01/941592501.db2.gz LOKUIZXWWSVLMJ-FGZHOGPDSA-N 2 1 364.537 3.901 20 0 FHADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415085786 941596268 /nfs/dbraw/zinc/59/62/68/941596268.db2.gz QVSROPXFIQBJRU-RTWAWAEBSA-N 2 1 354.494 3.603 20 0 FHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000415088952 941598047 /nfs/dbraw/zinc/59/80/47/941598047.db2.gz YGVMYIGRWHEHCG-YLJYHZDGSA-N 2 1 366.509 3.734 20 0 FHADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)ccc1OCc1ccncc1 ZINC000415095280 941598951 /nfs/dbraw/zinc/59/89/51/941598951.db2.gz ZIMUIUUSDQGTBU-LPHOPBHVSA-N 2 1 357.498 3.693 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@@H]1c1cccnc1 ZINC000377258991 941599580 /nfs/dbraw/zinc/59/95/80/941599580.db2.gz UNKUNSNTXOZIGK-RXVVDRJESA-N 2 1 367.493 3.509 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@@H]1c1cccnc1 ZINC000377258991 941599583 /nfs/dbraw/zinc/59/95/83/941599583.db2.gz UNKUNSNTXOZIGK-RXVVDRJESA-N 2 1 367.493 3.509 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000415102496 941605063 /nfs/dbraw/zinc/60/50/63/941605063.db2.gz DUBLJSCYLPHATJ-SJLPKXTDSA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000415109727 941606882 /nfs/dbraw/zinc/60/68/82/941606882.db2.gz OEVRUODENGEIMR-DLBZAZTESA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+]C1(CNCc2ccc(F)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415125373 941620045 /nfs/dbraw/zinc/62/00/45/941620045.db2.gz DQEXMXJCAWCPOM-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000549195884 941621420 /nfs/dbraw/zinc/62/14/20/941621420.db2.gz CIVMSFRVHGZSFE-GOSISDBHSA-N 2 1 360.299 3.919 20 0 FHADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4cc(Br)ccc43)C2)C1 ZINC000549195884 941621421 /nfs/dbraw/zinc/62/14/21/941621421.db2.gz CIVMSFRVHGZSFE-GOSISDBHSA-N 2 1 360.299 3.919 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134857 941621832 /nfs/dbraw/zinc/62/18/32/941621832.db2.gz WHBPJZWFZRAFEH-LPHOPBHVSA-N 2 1 372.484 3.830 20 0 FHADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCCC[NH+]1C ZINC000472736293 941655227 /nfs/dbraw/zinc/65/52/27/941655227.db2.gz IKZQGQVJEHKPQW-HXUWFJFHSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCCC[N@@H+]1C ZINC000472736293 941655230 /nfs/dbraw/zinc/65/52/30/941655230.db2.gz IKZQGQVJEHKPQW-HXUWFJFHSA-N 2 1 358.505 3.955 20 0 FHADMP C[NH+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCCC[N@H+]1C ZINC000472736293 941655231 /nfs/dbraw/zinc/65/52/31/941655231.db2.gz IKZQGQVJEHKPQW-HXUWFJFHSA-N 2 1 358.505 3.955 20 0 FHADMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(-c2ccnn2C)c1 ZINC000549249502 941746101 /nfs/dbraw/zinc/74/61/01/941746101.db2.gz IJEMIOGUCQTLHL-UHFFFAOYSA-N 2 1 374.532 3.934 20 0 FHADMP Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(-c2ccnn2C)c1 ZINC000549249502 941746104 /nfs/dbraw/zinc/74/61/04/941746104.db2.gz IJEMIOGUCQTLHL-UHFFFAOYSA-N 2 1 374.532 3.934 20 0 FHADMP C[C@H](O)c1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000377540043 941796478 /nfs/dbraw/zinc/79/64/78/941796478.db2.gz HJUAOZJXQZLFQM-CVEARBPZSA-N 2 1 351.560 3.673 20 0 FHADMP C[C@H](O)c1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000377540043 941796480 /nfs/dbraw/zinc/79/64/80/941796480.db2.gz HJUAOZJXQZLFQM-CVEARBPZSA-N 2 1 351.560 3.673 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000644549507 941833107 /nfs/dbraw/zinc/83/31/07/941833107.db2.gz ADULZZFXUIVVPE-NUTKFTJISA-N 2 1 353.388 3.677 20 0 FHADMP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262041028 941842814 /nfs/dbraw/zinc/84/28/14/941842814.db2.gz PCHYILMANJZCAJ-HOCLYGCPSA-N 2 1 355.345 3.917 20 0 FHADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262041028 941842823 /nfs/dbraw/zinc/84/28/23/941842823.db2.gz PCHYILMANJZCAJ-HOCLYGCPSA-N 2 1 355.345 3.917 20 0 FHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(OC)c1O ZINC000377654412 941872177 /nfs/dbraw/zinc/87/21/77/941872177.db2.gz NZAIBWWAJOZBOG-INIZCTEOSA-N 2 1 370.493 3.725 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)[C@H]1c1cccs1 ZINC000893019457 941894006 /nfs/dbraw/zinc/89/40/06/941894006.db2.gz KTPNCAVBXNFAOW-VRKREXBASA-N 2 1 357.361 3.894 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)[C@H]1c1cccs1 ZINC000893019457 941894008 /nfs/dbraw/zinc/89/40/08/941894008.db2.gz KTPNCAVBXNFAOW-VRKREXBASA-N 2 1 357.361 3.894 20 0 FHADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000893019508 941894516 /nfs/dbraw/zinc/89/45/16/941894516.db2.gz UETMZRILJLWUNM-UHFFFAOYSA-N 2 1 352.482 3.726 20 0 FHADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)cn1 ZINC000513425709 941914614 /nfs/dbraw/zinc/91/46/14/941914614.db2.gz ZNGPJDYWONNZHO-OAQYLSRUSA-N 2 1 352.526 3.960 20 0 FHADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)cn1 ZINC000513425706 941914700 /nfs/dbraw/zinc/91/47/00/941914700.db2.gz ZNGPJDYWONNZHO-NRFANRHFSA-N 2 1 352.526 3.960 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659862943 941954315 /nfs/dbraw/zinc/95/43/15/941954315.db2.gz GDSMTEWHIOGCNR-VWPQPMDRSA-N 2 1 355.570 3.597 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415916584 942142355 /nfs/dbraw/zinc/14/23/55/942142355.db2.gz HOGKEFBBWPXGMQ-PKOBYXMFSA-N 2 1 358.530 3.524 20 0 FHADMP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1)C1CCCCC1 ZINC000651219637 942153379 /nfs/dbraw/zinc/15/33/79/942153379.db2.gz CNJZRIVMSAVQAQ-QUCCMNQESA-N 2 1 366.594 3.545 20 0 FHADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C1CCCCC1 ZINC000651219637 942153389 /nfs/dbraw/zinc/15/33/89/942153389.db2.gz CNJZRIVMSAVQAQ-QUCCMNQESA-N 2 1 366.594 3.545 20 0 FHADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C1CCCCC1 ZINC000651219637 942153392 /nfs/dbraw/zinc/15/33/92/942153392.db2.gz CNJZRIVMSAVQAQ-QUCCMNQESA-N 2 1 366.594 3.545 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000415926911 942163828 /nfs/dbraw/zinc/16/38/28/942163828.db2.gz CHJJAHGXHKVCBF-IBGZPJMESA-N 2 1 374.916 3.874 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000501991171 942167748 /nfs/dbraw/zinc/16/77/48/942167748.db2.gz VPNAINMLNNVJSW-NRSPTQNISA-N 2 1 359.558 3.570 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415982314 942225649 /nfs/dbraw/zinc/22/56/49/942225649.db2.gz KUGIOCGRCYFUFT-ZWKOTPCHSA-N 2 1 366.509 3.533 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000415987047 942228908 /nfs/dbraw/zinc/22/89/08/942228908.db2.gz WGTWPVXWVQVCBF-SFHVURJKSA-N 2 1 372.557 3.914 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000416003211 942244852 /nfs/dbraw/zinc/24/48/52/942244852.db2.gz FACOBTIGCLXPSF-RBUKOAKNSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000416003211 942244855 /nfs/dbraw/zinc/24/48/55/942244855.db2.gz FACOBTIGCLXPSF-RBUKOAKNSA-N 2 1 372.900 3.626 20 0 FHADMP Oc1ccc(C2=CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000420906805 942248195 /nfs/dbraw/zinc/24/81/95/942248195.db2.gz TXSOLZYPJGCPNE-UHFFFAOYSA-N 2 1 364.489 3.514 20 0 FHADMP Cc1ccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cn1 ZINC000420955824 942275107 /nfs/dbraw/zinc/27/51/07/942275107.db2.gz YFELNDDKNUYXGM-UHFFFAOYSA-N 2 1 365.521 3.602 20 0 FHADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501070561 942289051 /nfs/dbraw/zinc/28/90/51/942289051.db2.gz SFSYRRMJGJFVOX-UHFFFAOYSA-N 2 1 361.493 3.616 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584558489 942317990 /nfs/dbraw/zinc/31/79/90/942317990.db2.gz SEFPVHSPSIMHII-RBUKOAKNSA-N 2 1 364.896 3.799 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1)C1CCOCC1 ZINC000502272460 942324532 /nfs/dbraw/zinc/32/45/32/942324532.db2.gz HQGBDGONKABYAQ-WWPVKYPJSA-N 2 1 372.553 3.845 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000416095451 942337222 /nfs/dbraw/zinc/33/72/22/942337222.db2.gz BYCMUHVOMVFMGS-UHFFFAOYSA-N 2 1 357.542 3.617 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183672 942370075 /nfs/dbraw/zinc/37/00/75/942370075.db2.gz JKJCOJMRSZMWMZ-KCUHQSDYSA-N 2 1 366.933 3.507 20 0 FHADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713562 942430610 /nfs/dbraw/zinc/43/06/10/942430610.db2.gz QCTMBTTYFQVFMG-JKLQHZFJSA-N 2 1 371.569 3.572 20 0 FHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000502416171 942432426 /nfs/dbraw/zinc/43/24/26/942432426.db2.gz ORPGQNPPBJLBQQ-RTBURBONSA-N 2 1 362.558 3.901 20 0 FHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364293 942515932 /nfs/dbraw/zinc/51/59/32/942515932.db2.gz OCCRLRMHUXPVCA-DHIUTWEWSA-N 2 1 350.506 3.537 20 0 FHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364293 942515940 /nfs/dbraw/zinc/51/59/40/942515940.db2.gz OCCRLRMHUXPVCA-DHIUTWEWSA-N 2 1 350.506 3.537 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000420295391 942598160 /nfs/dbraw/zinc/59/81/60/942598160.db2.gz AFWMAKQPFPOVIO-NRFANRHFSA-N 2 1 366.505 3.641 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299995 942609870 /nfs/dbraw/zinc/60/98/70/942609870.db2.gz GYCRIVAITYXTMZ-SUMWQHHRSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299995 942609872 /nfs/dbraw/zinc/60/98/72/942609872.db2.gz GYCRIVAITYXTMZ-SUMWQHHRSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299993 942610348 /nfs/dbraw/zinc/61/03/48/942610348.db2.gz GYCRIVAITYXTMZ-GUYCJALGSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299993 942610353 /nfs/dbraw/zinc/61/03/53/942610353.db2.gz GYCRIVAITYXTMZ-GUYCJALGSA-N 2 1 370.324 3.786 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420300084 942611375 /nfs/dbraw/zinc/61/13/75/942611375.db2.gz HBBFRHQSQKXZOW-UZUQRXQVSA-N 2 1 366.505 3.651 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000420307098 942612742 /nfs/dbraw/zinc/61/27/42/942612742.db2.gz QYYKXZVKKYMSCM-ZWJSTQBLSA-N 2 1 363.590 3.560 20 0 FHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311743 942615381 /nfs/dbraw/zinc/61/53/81/942615381.db2.gz RJWWBFKMRNGWBU-SNRMKQJTSA-N 2 1 356.901 3.665 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000420317161 942619181 /nfs/dbraw/zinc/61/91/81/942619181.db2.gz NLSIMWQWMNIRSQ-ZDUSSCGKSA-N 2 1 369.328 3.694 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000420317161 942619185 /nfs/dbraw/zinc/61/91/85/942619185.db2.gz NLSIMWQWMNIRSQ-ZDUSSCGKSA-N 2 1 369.328 3.694 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345664 942626999 /nfs/dbraw/zinc/62/69/99/942626999.db2.gz WHPYORIRGWLVTF-VQTJNVASSA-N 2 1 363.505 3.614 20 0 FHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326204 942629603 /nfs/dbraw/zinc/62/96/03/942629603.db2.gz XIDNCCTYZPQDMN-QWHCGFSZSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326210 942629631 /nfs/dbraw/zinc/62/96/31/942629631.db2.gz XIDNCCTYZPQDMN-STQMWFEESA-N 2 1 360.914 3.885 20 0 FHADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333564 942631251 /nfs/dbraw/zinc/63/12/51/942631251.db2.gz FIZHYHPRDRTATJ-ONTIZHBOSA-N 2 1 363.505 3.688 20 0 FHADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333579 942632426 /nfs/dbraw/zinc/63/24/26/942632426.db2.gz FIZHYHPRDRTATJ-VWPQPMDRSA-N 2 1 363.505 3.688 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377979 942646299 /nfs/dbraw/zinc/64/62/99/942646299.db2.gz AUYQRAZDUVQXGK-CZUORRHYSA-N 2 1 370.324 3.786 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1F ZINC000420379983 942647337 /nfs/dbraw/zinc/64/73/37/942647337.db2.gz BXYSNNKTUUADKT-IEBWSBKVSA-N 2 1 372.488 3.581 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420382778 942648228 /nfs/dbraw/zinc/64/82/28/942648228.db2.gz DECRIBKLIFRTCL-RHSMWYFYSA-N 2 1 358.507 3.652 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420382778 942648232 /nfs/dbraw/zinc/64/82/32/942648232.db2.gz DECRIBKLIFRTCL-RHSMWYFYSA-N 2 1 358.507 3.652 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397689 942658330 /nfs/dbraw/zinc/65/83/30/942658330.db2.gz PDRQMOUZDVYPNY-COPCDDAFSA-N 2 1 365.521 3.631 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397689 942658336 /nfs/dbraw/zinc/65/83/36/942658336.db2.gz PDRQMOUZDVYPNY-COPCDDAFSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397689 942658340 /nfs/dbraw/zinc/65/83/40/942658340.db2.gz PDRQMOUZDVYPNY-COPCDDAFSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397689 942658346 /nfs/dbraw/zinc/65/83/46/942658346.db2.gz PDRQMOUZDVYPNY-COPCDDAFSA-N 2 1 365.521 3.631 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403439 942661837 /nfs/dbraw/zinc/66/18/37/942661837.db2.gz RMWSMUPKZWQHLH-GHTZIAJQSA-N 2 1 351.494 3.632 20 0 FHADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420403504 942662666 /nfs/dbraw/zinc/66/26/66/942662666.db2.gz LAGJBEOQAJNBDW-IEBWSBKVSA-N 2 1 351.494 3.599 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000514005812 942680546 /nfs/dbraw/zinc/68/05/46/942680546.db2.gz SHHCICOBXWMTBH-UZLBHIALSA-N 2 1 368.949 3.583 20 0 FHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000502742525 942695056 /nfs/dbraw/zinc/69/50/56/942695056.db2.gz VZHFHXOQDMKRQT-ZCNNSNEGSA-N 2 1 351.579 3.752 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C3CCCC3)c2)[C@H](C)C1 ZINC000502722775 942695317 /nfs/dbraw/zinc/69/53/17/942695317.db2.gz PQCIBPNJQIZGIR-OPYAIIAOSA-N 2 1 362.562 3.786 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C3CCCC3)c2)[C@H](C)C1 ZINC000502722775 942695323 /nfs/dbraw/zinc/69/53/23/942695323.db2.gz PQCIBPNJQIZGIR-OPYAIIAOSA-N 2 1 362.562 3.786 20 0 FHADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)cc1 ZINC000420478997 942708378 /nfs/dbraw/zinc/70/83/78/942708378.db2.gz RIWVSBRCOIRKOD-WMZOPIPTSA-N 2 1 372.513 3.655 20 0 FHADMP CCC[N@@H+](CCC[NH+](CC)CC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000514074892 942719240 /nfs/dbraw/zinc/71/92/40/942719240.db2.gz WLJBOZPCUYKHRI-UHFFFAOYSA-N 3 1 361.578 3.506 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000514082721 942734209 /nfs/dbraw/zinc/73/42/09/942734209.db2.gz IDXDXDLNQDXRFM-AABGKKOBSA-N 2 1 355.457 3.975 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750374 /nfs/dbraw/zinc/75/03/74/942750374.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750379 /nfs/dbraw/zinc/75/03/79/942750379.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750382 /nfs/dbraw/zinc/75/03/82/942750382.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 3 1 355.570 3.609 20 0 FHADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750386 /nfs/dbraw/zinc/75/03/86/942750386.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 2 1 355.570 3.609 20 0 FHADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750389 /nfs/dbraw/zinc/75/03/89/942750389.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750391 /nfs/dbraw/zinc/75/03/91/942750391.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750395 /nfs/dbraw/zinc/75/03/95/942750395.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 2 1 355.570 3.609 20 0 FHADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114778 942754685 /nfs/dbraw/zinc/75/46/85/942754685.db2.gz KEADSDNCAOXCFQ-PXNSSMCTSA-N 2 1 351.494 3.698 20 0 FHADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114778 942754689 /nfs/dbraw/zinc/75/46/89/942754689.db2.gz KEADSDNCAOXCFQ-PXNSSMCTSA-N 2 1 351.494 3.698 20 0 FHADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000514096185 942757284 /nfs/dbraw/zinc/75/72/84/942757284.db2.gz UWNDHSVOJZWMLF-UHFFFAOYSA-N 2 1 370.493 3.800 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758394 /nfs/dbraw/zinc/75/83/94/942758394.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@@H+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758400 /nfs/dbraw/zinc/75/84/00/942758400.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@H+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758403 /nfs/dbraw/zinc/75/84/03/942758403.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758408 /nfs/dbraw/zinc/75/84/08/942758408.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758413 /nfs/dbraw/zinc/75/84/13/942758413.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758417 /nfs/dbraw/zinc/75/84/17/942758417.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@H+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758423 /nfs/dbraw/zinc/75/84/23/942758423.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 3 1 367.581 3.894 20 0 FHADMP CC[C@H](C)NC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000363830510 942779473 /nfs/dbraw/zinc/77/94/73/942779473.db2.gz QMCVHXRRZNNPBA-KRWDZBQOSA-N 2 1 357.542 3.712 20 0 FHADMP COc1ccc([C@@H](C)C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000378457464 942790944 /nfs/dbraw/zinc/79/09/44/942790944.db2.gz VSYOQRNOMHZDCM-IBGZPJMESA-N 3 1 373.585 3.585 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000514210214 942820352 /nfs/dbraw/zinc/82/03/52/942820352.db2.gz BQCKYKKJFZXERU-OAQYLSRUSA-N 2 1 374.573 3.552 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000514211161 942820566 /nfs/dbraw/zinc/82/05/66/942820566.db2.gz OHJJVEMCHZZVKQ-UXPWSPDFSA-N 2 1 368.949 3.754 20 0 FHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C(C)C)c(F)c1 ZINC000421832094 942837531 /nfs/dbraw/zinc/83/75/31/942837531.db2.gz MIKPFTUQPRRSPD-IIBYNOLFSA-N 2 1 364.505 3.622 20 0 FHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000502919065 942855730 /nfs/dbraw/zinc/85/57/30/942855730.db2.gz OIGFUWGELDSIEI-GUDVDZBRSA-N 2 1 374.573 3.535 20 0 FHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000514241873 942856654 /nfs/dbraw/zinc/85/66/54/942856654.db2.gz KCMFCZJKFGHCOV-QNCNLXEUSA-N 2 1 350.506 3.836 20 0 FHADMP C[N@@H+](CCCNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1)C1CCCCC1 ZINC000425147845 942874163 /nfs/dbraw/zinc/87/41/63/942874163.db2.gz RTLXZROYYWFPLX-HXUWFJFHSA-N 2 1 368.525 3.703 20 0 FHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000582050938 942915856 /nfs/dbraw/zinc/91/58/56/942915856.db2.gz QVDJKTDFGIIZSF-HNAYVOBHSA-N 2 1 370.522 3.556 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000273245711 942916625 /nfs/dbraw/zinc/91/66/25/942916625.db2.gz ZMNMTWZDJDUJBY-KRWDZBQOSA-N 2 1 370.493 3.541 20 0 FHADMP Cc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113725 942927029 /nfs/dbraw/zinc/92/70/29/942927029.db2.gz NNWWEKKREYJUMS-HSZRJFAPSA-N 2 1 365.521 3.805 20 0 FHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113725 942927044 /nfs/dbraw/zinc/92/70/44/942927044.db2.gz NNWWEKKREYJUMS-HSZRJFAPSA-N 2 1 365.521 3.805 20 0 FHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113725 942927047 /nfs/dbraw/zinc/92/70/47/942927047.db2.gz NNWWEKKREYJUMS-HSZRJFAPSA-N 2 1 365.521 3.805 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000503079295 942963049 /nfs/dbraw/zinc/96/30/49/942963049.db2.gz CXKFJFVRQXJRMN-UHFFFAOYSA-N 2 1 355.482 3.802 20 0 FHADMP Cc1nc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cs1 ZINC000503087266 942970633 /nfs/dbraw/zinc/97/06/33/942970633.db2.gz OMUICTMOEGEVDO-FPOVZHCZSA-N 2 1 355.551 3.981 20 0 FHADMP Cc1nc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cs1 ZINC000503087266 942970639 /nfs/dbraw/zinc/97/06/39/942970639.db2.gz OMUICTMOEGEVDO-FPOVZHCZSA-N 2 1 355.551 3.981 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cs1 ZINC000503087266 942970644 /nfs/dbraw/zinc/97/06/44/942970644.db2.gz OMUICTMOEGEVDO-FPOVZHCZSA-N 2 1 355.551 3.981 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cs1 ZINC000503087266 942970651 /nfs/dbraw/zinc/97/06/51/942970651.db2.gz OMUICTMOEGEVDO-FPOVZHCZSA-N 2 1 355.551 3.981 20 0 FHADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)oc21 ZINC000271870416 943063543 /nfs/dbraw/zinc/06/35/43/943063543.db2.gz MOCHOVTWMZSUIC-SNRMKQJTSA-N 2 1 372.509 3.860 20 0 FHADMP C[NH2+][C@@H](C)Cc1noc(-c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC000414652381 943103997 /nfs/dbraw/zinc/10/39/97/943103997.db2.gz WLJYCXBHBCETFX-INIZCTEOSA-N 2 1 350.466 3.519 20 0 FHADMP c1cc(-c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)n[nH]1 ZINC000435051103 943122866 /nfs/dbraw/zinc/12/28/66/943122866.db2.gz YITABUKLYWKOMG-UHFFFAOYSA-N 2 1 351.454 3.582 20 0 FHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000414659101 943127057 /nfs/dbraw/zinc/12/70/57/943127057.db2.gz RTPHSVDYXZCRJA-LBPRGKRZSA-N 2 1 351.313 3.958 20 0 FHADMP COCCOc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435055729 943128592 /nfs/dbraw/zinc/12/85/92/943128592.db2.gz DJFMGFGYNYIKIP-UHFFFAOYSA-N 2 1 369.509 3.624 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272281180 943128787 /nfs/dbraw/zinc/12/87/87/943128787.db2.gz ADKXGSGLOZPSCO-RCLSDMTESA-N 2 1 350.510 3.583 20 0 FHADMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(OC)c1 ZINC000435060315 943131997 /nfs/dbraw/zinc/13/19/97/943131997.db2.gz SWEPZSJLRHBUNP-UHFFFAOYSA-N 2 1 355.482 3.616 20 0 FHADMP c1cn(-c2csc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c2)cn1 ZINC000435059846 943132115 /nfs/dbraw/zinc/13/21/15/943132115.db2.gz QIKUDGJFQCVMTQ-UHFFFAOYSA-N 2 1 367.522 3.846 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665895 943165214 /nfs/dbraw/zinc/16/52/14/943165214.db2.gz VSJUZYOBYBZQDI-WMZOPIPTSA-N 2 1 354.494 3.930 20 0 FHADMP CC(C)CC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648848 943192875 /nfs/dbraw/zinc/19/28/75/943192875.db2.gz JTUFACAGJOHEBD-TZIWHRDSSA-N 2 1 371.569 3.524 20 0 FHADMP CN(c1ccccc1C[N@H+](C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000505617491 943198976 /nfs/dbraw/zinc/19/89/76/943198976.db2.gz ZEFIKZBWCIOCBY-UHFFFAOYSA-N 2 1 355.501 3.988 20 0 FHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000505617491 943198981 /nfs/dbraw/zinc/19/89/81/943198981.db2.gz ZEFIKZBWCIOCBY-UHFFFAOYSA-N 2 1 355.501 3.988 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272743897 943213717 /nfs/dbraw/zinc/21/37/17/943213717.db2.gz BKNNRYSNXZCJSD-YLJYHZDGSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272743897 943213724 /nfs/dbraw/zinc/21/37/24/943213724.db2.gz BKNNRYSNXZCJSD-YLJYHZDGSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000422631202 943214125 /nfs/dbraw/zinc/21/41/25/943214125.db2.gz FGBTUEVJRHHYCI-HLIPFELVSA-N 2 1 351.494 3.744 20 0 FHADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185760575 943219287 /nfs/dbraw/zinc/21/92/87/943219287.db2.gz DBUDJZYFYAHJES-GUDVDZBRSA-N 2 1 357.542 3.873 20 0 FHADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185760575 943219296 /nfs/dbraw/zinc/21/92/96/943219296.db2.gz DBUDJZYFYAHJES-GUDVDZBRSA-N 2 1 357.542 3.873 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272866333 943235574 /nfs/dbraw/zinc/23/55/74/943235574.db2.gz LKXXBDJEPIDNBP-ZIAGYGMSSA-N 2 1 352.320 3.587 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272866333 943235578 /nfs/dbraw/zinc/23/55/78/943235578.db2.gz LKXXBDJEPIDNBP-ZIAGYGMSSA-N 2 1 352.320 3.587 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422699143 943236717 /nfs/dbraw/zinc/23/67/17/943236717.db2.gz AFAVYAPMYBMSKF-RDTXWAMCSA-N 2 1 362.901 3.795 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])c2)cc1 ZINC000422713221 943252672 /nfs/dbraw/zinc/25/26/72/943252672.db2.gz PAZVEQRLIQTDMJ-RTWAWAEBSA-N 2 1 351.494 3.997 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422747690 943270438 /nfs/dbraw/zinc/27/04/38/943270438.db2.gz ZJWPDQUNWOKKTF-SFHVURJKSA-N 2 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862616 943309431 /nfs/dbraw/zinc/30/94/31/943309431.db2.gz NTTQKZGJAUXNJZ-QZTJIDSGSA-N 3 1 366.553 3.931 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422845883 943313585 /nfs/dbraw/zinc/31/35/85/943313585.db2.gz PARLJBBPXFXMPX-IRLDBZIGSA-N 2 1 364.468 3.903 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCC[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422888018 943318066 /nfs/dbraw/zinc/31/80/66/943318066.db2.gz ZPSPZVNTICEWKZ-QIJUGHKUSA-N 2 1 359.558 3.590 20 0 FHADMP Cc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422922629 943332664 /nfs/dbraw/zinc/33/26/64/943332664.db2.gz QIOSCNBIKLUKIN-CSODHUTKSA-N 2 1 374.550 3.512 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422951500 943347454 /nfs/dbraw/zinc/34/74/54/943347454.db2.gz YUQVFUAKQWNXCZ-KDOFPFPSSA-N 2 1 352.400 3.632 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000435374543 943355804 /nfs/dbraw/zinc/35/58/04/943355804.db2.gz QKUBDHFYRVWUAF-LIRRHRJNSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000435374543 943355808 /nfs/dbraw/zinc/35/58/08/943355808.db2.gz QKUBDHFYRVWUAF-LIRRHRJNSA-N 2 1 357.885 3.761 20 0 FHADMP CCCCOc1ncccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422975334 943355973 /nfs/dbraw/zinc/35/59/73/943355973.db2.gz SMUCYESCCLUZBF-SIKLNZKXSA-N 2 1 367.493 3.606 20 0 FHADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435375347 943356566 /nfs/dbraw/zinc/35/65/66/943356566.db2.gz MHDHPGKPYQUFLL-MAUKXSAKSA-N 2 1 352.507 3.770 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435375347 943356568 /nfs/dbraw/zinc/35/65/68/943356568.db2.gz MHDHPGKPYQUFLL-MAUKXSAKSA-N 2 1 352.507 3.770 20 0 FHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895751 943357444 /nfs/dbraw/zinc/35/74/44/943357444.db2.gz BLSIUFZUYWUYRJ-TUACAJSNSA-N 2 1 367.581 3.871 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996932 943359415 /nfs/dbraw/zinc/35/94/15/943359415.db2.gz AJKQQBJPJWARMB-JVODISISSA-N 3 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996932 943359416 /nfs/dbraw/zinc/35/94/16/943359416.db2.gz AJKQQBJPJWARMB-JVODISISSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996932 943359423 /nfs/dbraw/zinc/35/94/23/943359423.db2.gz AJKQQBJPJWARMB-JVODISISSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996931 943359483 /nfs/dbraw/zinc/35/94/83/943359483.db2.gz AJKQQBJPJWARMB-JDBUVZGPSA-N 3 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996931 943359484 /nfs/dbraw/zinc/35/94/84/943359484.db2.gz AJKQQBJPJWARMB-JDBUVZGPSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422996931 943359490 /nfs/dbraw/zinc/35/94/90/943359490.db2.gz AJKQQBJPJWARMB-JDBUVZGPSA-N 2 1 365.565 3.835 20 0 FHADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371177 943364616 /nfs/dbraw/zinc/36/46/16/943364616.db2.gz LPKJLUXJVOFTKH-HOCLYGCPSA-N 2 1 357.885 3.761 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@@H]12 ZINC000435379153 943368148 /nfs/dbraw/zinc/36/81/48/943368148.db2.gz LFCJNUUZOLSUQW-XFQXTVEOSA-N 2 1 369.896 3.761 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OCc1ccccc1 ZINC000435380356 943368946 /nfs/dbraw/zinc/36/89/46/943368946.db2.gz NUNWBAHYIHMXBV-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OCc1ccccc1 ZINC000435380356 943368952 /nfs/dbraw/zinc/36/89/52/943368952.db2.gz NUNWBAHYIHMXBV-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022897 943369458 /nfs/dbraw/zinc/36/94/58/943369458.db2.gz IMYLTRKAPRGFRW-JOQQVMPUSA-N 2 1 353.913 3.592 20 0 FHADMP COc1ccc([C@@H](C)C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435394156 943380704 /nfs/dbraw/zinc/38/07/04/943380704.db2.gz MOCKYLLLRYTNKV-GHTZIAJQSA-N 2 1 353.510 3.838 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[nH+]ccc1N ZINC000423070761 943381538 /nfs/dbraw/zinc/38/15/38/943381538.db2.gz NPCOCUXGFLSBJU-DGCLKSJQSA-N 2 1 351.281 3.730 20 0 FHADMP OCC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC(c2ccccc2)C1 ZINC000423085473 943388649 /nfs/dbraw/zinc/38/86/49/943388649.db2.gz JZLLRXSSYQVBAP-JKYAZJQKSA-N 2 1 350.506 3.626 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414716693 943388964 /nfs/dbraw/zinc/38/89/64/943388964.db2.gz SOWDVJIEKAJCNY-WMZOPIPTSA-N 2 1 358.530 3.700 20 0 FHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097762 943393363 /nfs/dbraw/zinc/39/33/63/943393363.db2.gz BIGWTBACRNCIBD-QUCCMNQESA-N 2 1 359.558 3.560 20 0 FHADMP COCc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423099156 943394212 /nfs/dbraw/zinc/39/42/12/943394212.db2.gz LRAWZZGMDUHTEL-FGTMMUONSA-N 2 1 371.550 3.967 20 0 FHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435431043 943395893 /nfs/dbraw/zinc/39/58/93/943395893.db2.gz BKSSBKFNWYTABX-OAHLLOKOSA-N 2 1 360.420 3.600 20 0 FHADMP CC[NH+](CC)CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000236852066 943397022 /nfs/dbraw/zinc/39/70/22/943397022.db2.gz MYYOPCPZUUIZBF-UHFFFAOYSA-N 2 1 353.304 3.546 20 0 FHADMP Cn1cnc2cc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435421554 943402103 /nfs/dbraw/zinc/40/21/03/943402103.db2.gz JZRNVLWHORDMLL-FQEVSTJZSA-N 2 1 366.534 3.779 20 0 FHADMP C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112147 943405136 /nfs/dbraw/zinc/40/51/36/943405136.db2.gz XFPMFRMUAUWKMV-ARZDYRBSSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112147 943405141 /nfs/dbraw/zinc/40/51/41/943405141.db2.gz XFPMFRMUAUWKMV-ARZDYRBSSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112147 943405142 /nfs/dbraw/zinc/40/51/42/943405142.db2.gz XFPMFRMUAUWKMV-ARZDYRBSSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112150 943405206 /nfs/dbraw/zinc/40/52/06/943405206.db2.gz XFPMFRMUAUWKMV-HFRGQYLWSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112150 943405210 /nfs/dbraw/zinc/40/52/10/943405210.db2.gz XFPMFRMUAUWKMV-HFRGQYLWSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112150 943405214 /nfs/dbraw/zinc/40/52/14/943405214.db2.gz XFPMFRMUAUWKMV-HFRGQYLWSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@H](CC1CCOCC1)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426616 943405727 /nfs/dbraw/zinc/40/57/27/943405727.db2.gz JAXWXYHMFJPMNL-SJLPKXTDSA-N 2 1 363.571 3.540 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)cc3cccnc31)CC[NH2+]CC2 ZINC000514941889 943407965 /nfs/dbraw/zinc/40/79/65/943407965.db2.gz KBOHFRQQPMCUJN-AWEZNQCLSA-N 2 1 374.326 3.961 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)c2)cc1 ZINC000435437447 943415969 /nfs/dbraw/zinc/41/59/69/943415969.db2.gz KPDUDNIUWOQQKB-HXUWFJFHSA-N 2 1 367.493 3.521 20 0 FHADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435438962 943418014 /nfs/dbraw/zinc/41/80/14/943418014.db2.gz RZCVPHGPDBQVID-QGZVFWFLSA-N 2 1 360.523 3.910 20 0 FHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000423172246 943425022 /nfs/dbraw/zinc/42/50/22/943425022.db2.gz RYQVFUFTCKPBKB-PBHICJAKSA-N 2 1 372.962 3.534 20 0 FHADMP Brc1cc2c(s1)CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180265 943429207 /nfs/dbraw/zinc/42/92/07/943429207.db2.gz APAXBXWKJHPKPP-CQSZACIVSA-N 2 1 366.328 3.662 20 0 FHADMP c1csc(C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000414722543 943431649 /nfs/dbraw/zinc/43/16/49/943431649.db2.gz MMZZYHHMXAOGKF-FHWLQOOXSA-N 2 1 353.535 3.891 20 0 FHADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000423187173 943434168 /nfs/dbraw/zinc/43/41/68/943434168.db2.gz MCTOBEDCKMMNBB-OAQYLSRUSA-N 2 1 351.494 3.554 20 0 FHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190665 943435741 /nfs/dbraw/zinc/43/57/41/943435741.db2.gz RIUAKWGEVCZLGC-CVEARBPZSA-N 2 1 354.523 3.953 20 0 FHADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423279460 943469904 /nfs/dbraw/zinc/46/99/04/943469904.db2.gz RYEDSTMFCJCNGO-OXJNMPFZSA-N 2 1 352.482 3.547 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCCc2cccnc2)cc1 ZINC000423317928 943474058 /nfs/dbraw/zinc/47/40/58/943474058.db2.gz BFVDKWWCDUJDDZ-WTNAPCKOSA-N 2 1 353.510 3.537 20 0 FHADMP OC[C@@H]([C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720185 943481861 /nfs/dbraw/zinc/48/18/61/943481861.db2.gz WYZRFDOPESLLQJ-BHDDXSALSA-N 2 1 354.538 3.570 20 0 FHADMP OC[C@@H]([C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720185 943481865 /nfs/dbraw/zinc/48/18/65/943481865.db2.gz WYZRFDOPESLLQJ-BHDDXSALSA-N 2 1 354.538 3.570 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423359230 943490550 /nfs/dbraw/zinc/49/05/50/943490550.db2.gz CZOFWDBTJYBOEB-GWCFXTLKSA-N 2 1 366.328 3.887 20 0 FHADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423369205 943493822 /nfs/dbraw/zinc/49/38/22/943493822.db2.gz SQSQTGMEBIUPEX-GHMZBOCLSA-N 2 1 350.356 3.682 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000513809419 943519762 /nfs/dbraw/zinc/51/97/62/943519762.db2.gz KHLIBKGIIXSQAH-FQEVSTJZSA-N 2 1 359.558 3.626 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414746804 943525831 /nfs/dbraw/zinc/52/58/31/943525831.db2.gz MCGQKQABWKUPOP-WQGACYEGSA-N 2 1 359.297 3.527 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414746804 943525833 /nfs/dbraw/zinc/52/58/33/943525833.db2.gz MCGQKQABWKUPOP-WQGACYEGSA-N 2 1 359.297 3.527 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626284 943526789 /nfs/dbraw/zinc/52/67/89/943526789.db2.gz ODHYPXPGVUYQKC-SFHVURJKSA-N 2 1 367.493 3.881 20 0 FHADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423501942 943530369 /nfs/dbraw/zinc/53/03/69/943530369.db2.gz DLEGTRBHFBXTSM-GZNCHQMQSA-N 2 1 361.599 3.609 20 0 FHADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423507209 943532447 /nfs/dbraw/zinc/53/24/47/943532447.db2.gz HUDCBXVJYSIYHD-GCJKJVERSA-N 2 1 354.494 3.603 20 0 FHADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000423491570 943535704 /nfs/dbraw/zinc/53/57/04/943535704.db2.gz JVHAYILABJYUTN-IRXDYDNUSA-N 2 1 355.320 3.504 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423513288 943542084 /nfs/dbraw/zinc/54/20/84/943542084.db2.gz RPKWNSZLJCBZJM-BFHKSVSOSA-N 2 1 367.990 3.700 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515886 943542713 /nfs/dbraw/zinc/54/27/13/943542713.db2.gz XNVUTKYUQYPPOI-VGOFRKELSA-N 3 1 355.526 3.540 20 0 FHADMP Cn1ccnc1C[N@H+](Cc1cccc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683344 943544315 /nfs/dbraw/zinc/54/43/15/943544315.db2.gz OYKVREHIKMUYRB-OAQYLSRUSA-N 2 1 360.505 3.718 20 0 FHADMP Cn1ccnc1C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683344 943544316 /nfs/dbraw/zinc/54/43/16/943544316.db2.gz OYKVREHIKMUYRB-OAQYLSRUSA-N 2 1 360.505 3.718 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000423520644 943544666 /nfs/dbraw/zinc/54/46/66/943544666.db2.gz RSLXLGJVSYCWRY-RWBZWWBESA-N 2 1 355.448 3.572 20 0 FHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423522637 943545553 /nfs/dbraw/zinc/54/55/53/943545553.db2.gz VBXQRVRLVBRAQU-FAEJEUNOSA-N 2 1 365.949 3.606 20 0 FHADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423522229 943545785 /nfs/dbraw/zinc/54/57/85/943545785.db2.gz UFIBUZBWJKKYSE-VEZWFGLTSA-N 2 1 372.582 3.594 20 0 FHADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423523072 943546448 /nfs/dbraw/zinc/54/64/48/943546448.db2.gz VHVAPBOZCLDTAX-ZOJXTTQQSA-N 2 1 368.352 3.787 20 0 FHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423525220 943547191 /nfs/dbraw/zinc/54/71/91/943547191.db2.gz XXRVUHHABVUUJM-ODIFPOPNSA-N 2 1 364.603 3.616 20 0 FHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423525227 943547252 /nfs/dbraw/zinc/54/72/52/943547252.db2.gz XXRVUHHABVUUJM-OOHWJJMZSA-N 2 1 364.603 3.616 20 0 FHADMP CC(C)[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423543254 943552711 /nfs/dbraw/zinc/55/27/11/943552711.db2.gz BSPUWCWUUDMNCT-NRFANRHFSA-N 2 1 370.516 3.501 20 0 FHADMP CC(C)[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423543265 943552778 /nfs/dbraw/zinc/55/27/78/943552778.db2.gz BSPUWCWUUDMNCT-OAQYLSRUSA-N 2 1 370.516 3.501 20 0 FHADMP Cc1cccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435691189 943559225 /nfs/dbraw/zinc/55/92/25/943559225.db2.gz FLCANQFFMMJCGR-LJQANCHMSA-N 2 1 369.534 3.639 20 0 FHADMP Cc1cccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435691189 943559230 /nfs/dbraw/zinc/55/92/30/943559230.db2.gz FLCANQFFMMJCGR-LJQANCHMSA-N 2 1 369.534 3.639 20 0 FHADMP CC[NH+](CC)CCCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000504252040 943563028 /nfs/dbraw/zinc/56/30/28/943563028.db2.gz RQUXDBMFBFSDKS-FQEVSTJZSA-N 2 1 351.579 3.612 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1)C1CC[NH+](C)CC1 ZINC000435772109 943601710 /nfs/dbraw/zinc/60/17/10/943601710.db2.gz YHWKRMXBPVCBOF-QFIPXVFZSA-N 2 1 352.526 3.882 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587821 943735165 /nfs/dbraw/zinc/73/51/65/943735165.db2.gz SMLJOFVTTLEXFG-UYAOXDASSA-N 2 1 374.573 3.666 20 0 FHADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000424144817 943750211 /nfs/dbraw/zinc/75/02/11/943750211.db2.gz MCRUOKAAFCFLHI-UHFFFAOYSA-N 2 1 352.482 3.979 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000515318328 943798037 /nfs/dbraw/zinc/79/80/37/943798037.db2.gz AUPLEZJFACFBNF-FOIQADDNSA-N 2 1 353.441 3.574 20 0 FHADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000584869023 943822085 /nfs/dbraw/zinc/82/20/85/943822085.db2.gz RXCCSBUKWNIQEM-PZJWPPBQSA-N 2 1 367.537 3.913 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(CCc3ccccc3)n1)CC[NH2+]CC2 ZINC000424294440 943823110 /nfs/dbraw/zinc/82/31/10/943823110.db2.gz QJXKRIAEJVKWFI-QGZVFWFLSA-N 2 1 355.551 3.892 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2n1CCCCC2 ZINC000660264851 943831940 /nfs/dbraw/zinc/83/19/40/943831940.db2.gz HGOPXSWQPKSKGG-GOSISDBHSA-N 2 1 367.541 3.841 20 0 FHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000516934883 943842832 /nfs/dbraw/zinc/84/28/32/943842832.db2.gz BHNPREIOVHSJPZ-OAQYLSRUSA-N 2 1 359.477 3.619 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)CC1 ZINC000516935693 943843852 /nfs/dbraw/zinc/84/38/52/943843852.db2.gz GZTDLIDZFDTBRF-UHFFFAOYSA-N 2 1 357.542 3.747 20 0 FHADMP CC(C)[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491098 943856584 /nfs/dbraw/zinc/85/65/84/943856584.db2.gz GQMDRHMQGZCAEE-UNMCSNQZSA-N 2 1 371.569 3.620 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516970680 943872046 /nfs/dbraw/zinc/87/20/46/943872046.db2.gz YYYYEGPEEJCGKZ-FGZHOGPDSA-N 2 1 366.553 3.678 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001125913745 943888879 /nfs/dbraw/zinc/88/88/79/943888879.db2.gz DLANLIVHLDVITO-IBGZPJMESA-N 2 1 354.498 3.866 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001125913745 943888889 /nfs/dbraw/zinc/88/88/89/943888889.db2.gz DLANLIVHLDVITO-IBGZPJMESA-N 2 1 354.498 3.866 20 0 FHADMP CCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC(F)F ZINC000424385641 943892862 /nfs/dbraw/zinc/89/28/62/943892862.db2.gz WGPQXEIUOMOKJV-CQSZACIVSA-N 2 1 354.441 3.651 20 0 FHADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000424385209 943893442 /nfs/dbraw/zinc/89/34/42/943893442.db2.gz WDFDKXCSPFLHGJ-CQSZACIVSA-N 2 1 372.431 3.600 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl)CC[NH2+]CC2 ZINC000424385237 943893759 /nfs/dbraw/zinc/89/37/59/943893759.db2.gz WDMQSLJUNVUHGL-HNNXBMFYSA-N 2 1 358.917 3.705 20 0 FHADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310783591 943901245 /nfs/dbraw/zinc/90/12/45/943901245.db2.gz CDXBHYRFXVMSMI-YRISNDGFSA-N 2 1 358.913 3.874 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305244 943932572 /nfs/dbraw/zinc/93/25/72/943932572.db2.gz JQRRMIPWKZYDQZ-QAPCUYQASA-N 2 1 372.525 3.784 20 0 FHADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414789642 943933669 /nfs/dbraw/zinc/93/36/69/943933669.db2.gz FPGLMUMITOZOCE-SFHVURJKSA-N 2 1 354.523 3.733 20 0 FHADMP COc1ccc([C@H](C)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000414877039 943969757 /nfs/dbraw/zinc/96/97/57/943969757.db2.gz FHGRKPMOSBTWLV-NPFVIJTESA-N 2 1 354.494 3.543 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1cc(C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC000436051208 943974261 /nfs/dbraw/zinc/97/42/61/943974261.db2.gz LKLCFCBKMAVEMH-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1cc(C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC000436051208 943974265 /nfs/dbraw/zinc/97/42/65/943974265.db2.gz LKLCFCBKMAVEMH-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501550983 944094778 /nfs/dbraw/zinc/09/47/78/944094778.db2.gz MASNOVCGTPWLNW-CJNGLKHVSA-N 2 1 353.304 3.737 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501550983 944094785 /nfs/dbraw/zinc/09/47/85/944094785.db2.gz MASNOVCGTPWLNW-CJNGLKHVSA-N 2 1 353.304 3.737 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1)CC(C)C ZINC000418067574 944121657 /nfs/dbraw/zinc/12/16/57/944121657.db2.gz MYSXOWVCYNSMJQ-UHFFFAOYSA-N 2 1 373.585 3.968 20 0 FHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116947 944123359 /nfs/dbraw/zinc/12/33/59/944123359.db2.gz PIAURPGFSADTIQ-XZOQPEGZSA-N 2 1 357.586 3.979 20 0 FHADMP CCCn1ccnc1CCCN(C)Cc1nc2ccc(Cl)cc2n1C ZINC000515711887 944143631 /nfs/dbraw/zinc/14/36/31/944143631.db2.gz DTMPWAUGBBJQKD-UHFFFAOYSA-N 2 1 359.905 3.898 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000515756344 944184888 /nfs/dbraw/zinc/18/48/88/944184888.db2.gz ZNUMFLQUUVVQNW-QZTJIDSGSA-N 2 1 359.558 3.701 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(SC)cc2)[C@H](C)C1 ZINC000436302539 944186328 /nfs/dbraw/zinc/18/63/28/944186328.db2.gz AYONEOMBDLSUHB-XLIONFOSSA-N 2 1 350.572 3.678 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000414916560 944194228 /nfs/dbraw/zinc/19/42/28/944194228.db2.gz PYICMHKEKAXNCT-VQIMIIECSA-N 2 1 369.513 3.646 20 0 FHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nccn1-c1ccccc1 ZINC000515828731 944246827 /nfs/dbraw/zinc/24/68/27/944246827.db2.gz DVOHHYVESPVWOG-XTQVGHSUSA-N 2 1 374.488 3.779 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436400557 944276696 /nfs/dbraw/zinc/27/66/96/944276696.db2.gz KPAIGGXAILTGPK-WWPVKYPJSA-N 2 1 350.506 3.679 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436400556 944277125 /nfs/dbraw/zinc/27/71/25/944277125.db2.gz KPAIGGXAILTGPK-WTIAFYNJSA-N 2 1 350.506 3.679 20 0 FHADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000436415489 944287657 /nfs/dbraw/zinc/28/76/57/944287657.db2.gz RSZNCZJJTJCLRC-GOSISDBHSA-N 2 1 367.493 3.691 20 0 FHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414979082 944318702 /nfs/dbraw/zinc/31/87/02/944318702.db2.gz UPRYCAKWHSSEAD-CYBMUJFWSA-N 2 1 365.237 3.946 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481998 944331826 /nfs/dbraw/zinc/33/18/26/944331826.db2.gz RWQVHVCHBYGMGE-FPOVZHCZSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481998 944331833 /nfs/dbraw/zinc/33/18/33/944331833.db2.gz RWQVHVCHBYGMGE-FPOVZHCZSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481998 944331843 /nfs/dbraw/zinc/33/18/43/944331843.db2.gz RWQVHVCHBYGMGE-FPOVZHCZSA-N 2 1 363.590 3.659 20 0 FHADMP CC1(C)C[N@@H+](Cc2cccnc2N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834969 944339418 /nfs/dbraw/zinc/33/94/18/944339418.db2.gz APFYEWQAAQMOFA-NRFANRHFSA-N 2 1 364.537 3.786 20 0 FHADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000438195446 944409989 /nfs/dbraw/zinc/40/99/89/944409989.db2.gz AKIRSXBXDDFDDM-QZTJIDSGSA-N 2 1 356.485 3.767 20 0 FHADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000438195446 944409994 /nfs/dbraw/zinc/40/99/94/944409994.db2.gz AKIRSXBXDDFDDM-QZTJIDSGSA-N 2 1 356.485 3.767 20 0 FHADMP Fc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167978113 944433138 /nfs/dbraw/zinc/43/31/38/944433138.db2.gz JCPVARUCAGZGCZ-SEJPIABJSA-N 2 1 372.528 3.912 20 0 FHADMP c1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167964031 944436045 /nfs/dbraw/zinc/43/60/45/944436045.db2.gz LJEWUFZKLSYKFH-CWAQXLGLSA-N 3 1 367.581 3.894 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@H+]1C ZINC000426325465 944447089 /nfs/dbraw/zinc/44/70/89/944447089.db2.gz VBTFDHCTVZCTOD-LSDHHAIUSA-N 2 1 351.332 3.943 20 0 FHADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390553673 944447456 /nfs/dbraw/zinc/44/74/56/944447456.db2.gz KTTDLFLJKHEOBF-SOAGJPPSSA-N 2 1 358.526 3.609 20 0 FHADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390553673 944447462 /nfs/dbraw/zinc/44/74/62/944447462.db2.gz KTTDLFLJKHEOBF-SOAGJPPSSA-N 2 1 358.526 3.609 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000518515387 944458880 /nfs/dbraw/zinc/45/88/80/944458880.db2.gz YOZZNWPSIMIQMC-KNQAVFIVSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000518515387 944458886 /nfs/dbraw/zinc/45/88/86/944458886.db2.gz YOZZNWPSIMIQMC-KNQAVFIVSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000518515387 944458888 /nfs/dbraw/zinc/45/88/88/944458888.db2.gz YOZZNWPSIMIQMC-KNQAVFIVSA-N 2 1 371.569 3.540 20 0 FHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888003 944470542 /nfs/dbraw/zinc/47/05/42/944470542.db2.gz XLGUUAHNJKIIOX-OAHLLOKOSA-N 2 1 351.416 3.801 20 0 FHADMP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000894742610 944543161 /nfs/dbraw/zinc/54/31/61/944543161.db2.gz UYURIYSYCWXHEA-FBVQUNGASA-N 2 1 356.432 3.998 20 0 FHADMP COC(=O)c1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000312737021 944588859 /nfs/dbraw/zinc/58/88/59/944588859.db2.gz XEFQGKJGCBBQKM-QFIPXVFZSA-N 2 1 370.468 3.614 20 0 FHADMP COC(=O)c1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000312737021 944588863 /nfs/dbraw/zinc/58/88/63/944588863.db2.gz XEFQGKJGCBBQKM-QFIPXVFZSA-N 2 1 370.468 3.614 20 0 FHADMP Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093478323 944664952 /nfs/dbraw/zinc/66/49/52/944664952.db2.gz PWNQTWGNRLBUME-JOCHJYFZSA-N 2 1 354.494 3.509 20 0 FHADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093478323 944664960 /nfs/dbraw/zinc/66/49/60/944664960.db2.gz PWNQTWGNRLBUME-JOCHJYFZSA-N 2 1 354.494 3.509 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000550273422 944665309 /nfs/dbraw/zinc/66/53/09/944665309.db2.gz PUSVGJGYNCULEQ-HKUYNNGSSA-N 2 1 354.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000550273422 944665314 /nfs/dbraw/zinc/66/53/14/944665314.db2.gz PUSVGJGYNCULEQ-HKUYNNGSSA-N 2 1 354.542 3.688 20 0 FHADMP COC(=O)C1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426035206 944679919 /nfs/dbraw/zinc/67/99/19/944679919.db2.gz LDFSPLAQYYFPFV-IDGBJLRDSA-N 2 1 358.526 3.609 20 0 FHADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000311358299 944699883 /nfs/dbraw/zinc/69/98/83/944699883.db2.gz FDLUEQOLNVRGKD-SFHVURJKSA-N 2 1 369.475 3.515 20 0 FHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000518763404 944712046 /nfs/dbraw/zinc/71/20/46/944712046.db2.gz ITNZPYLIZPVWCI-GJZGRUSLSA-N 2 1 352.906 3.569 20 0 FHADMP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC[NH+](C)CC1 ZINC000516354536 944762889 /nfs/dbraw/zinc/76/28/89/944762889.db2.gz RIOXSZSGEOKHIO-INIZCTEOSA-N 3 1 358.555 3.659 20 0 FHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894323225 944812673 /nfs/dbraw/zinc/81/26/73/944812673.db2.gz LFAUMYIQMKYZJT-UHFFFAOYSA-N 2 1 367.946 3.929 20 0 FHADMP Cn1ccnc1[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441674 944863682 /nfs/dbraw/zinc/86/36/82/944863682.db2.gz ACCLMNPLEAAIBJ-PZJWPPBQSA-N 2 1 352.526 3.763 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1)C1CC1 ZINC000511677892 944903506 /nfs/dbraw/zinc/90/35/06/944903506.db2.gz RQMMELLFFKUOID-FDDCHVKYSA-N 2 1 371.569 3.911 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511677893 944903827 /nfs/dbraw/zinc/90/38/27/944903827.db2.gz RQMMELLFFKUOID-JPYJTQIMSA-N 2 1 371.569 3.911 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)F ZINC000425693571 944953020 /nfs/dbraw/zinc/95/30/20/944953020.db2.gz ROADMJMRCHXKBX-OAHLLOKOSA-N 2 1 368.472 3.504 20 0 FHADMP CCCC[C@H](C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414895964 944954074 /nfs/dbraw/zinc/95/40/74/944954074.db2.gz ADBPZVPFAIRMCB-GOSISDBHSA-N 2 1 357.502 3.694 20 0 FHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1OC(F)F ZINC000414950291 945011699 /nfs/dbraw/zinc/01/16/99/945011699.db2.gz OJABWWALYQSSJT-GXFFZTMASA-N 2 1 363.246 3.589 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437106116 945027763 /nfs/dbraw/zinc/02/77/63/945027763.db2.gz UUEOXFRAACTGTN-NWSQWKLXSA-N 2 1 363.549 3.795 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000660696100 945400202 /nfs/dbraw/zinc/40/02/02/945400202.db2.gz YRUWVLNJAVSNMT-UHFFFAOYSA-N 2 1 354.538 3.845 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029491 945420248 /nfs/dbraw/zinc/42/02/48/945420248.db2.gz RXDOFUWXNACNJD-QGZVFWFLSA-N 2 1 354.897 3.645 20 0 FHADMP Brc1cnc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001204742189 945538892 /nfs/dbraw/zinc/53/88/92/945538892.db2.gz JVUXFICPSNVTJW-UHFFFAOYSA-N 2 1 374.326 3.963 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654520 945622209 /nfs/dbraw/zinc/62/22/09/945622209.db2.gz SRACPBTWHCIMTB-QZTJIDSGSA-N 2 1 370.928 3.927 20 0 FHADMP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000629701412 945662927 /nfs/dbraw/zinc/66/29/27/945662927.db2.gz BTACQJXESZLGQU-FXAWDEMLSA-N 2 1 352.522 3.756 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 ZINC000415123620 945676849 /nfs/dbraw/zinc/67/68/49/945676849.db2.gz LNFAXJZHVDCBQT-WMLDXEAASA-N 2 1 360.395 3.563 20 0 FHADMP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684064 /nfs/dbraw/zinc/68/40/64/945684064.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 2 1 363.496 3.703 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC23CC3)cc1 ZINC000519541747 945696846 /nfs/dbraw/zinc/69/68/46/945696846.db2.gz LHXQQOOKOVGTHA-DOIPELPJSA-N 2 1 352.522 3.731 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC23CC3)cc1 ZINC000519541747 945696849 /nfs/dbraw/zinc/69/68/49/945696849.db2.gz LHXQQOOKOVGTHA-DOIPELPJSA-N 2 1 352.522 3.731 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000651719224 945771482 /nfs/dbraw/zinc/77/14/82/945771482.db2.gz MZVQGMVAXAJBDM-OXJNMPFZSA-N 2 1 367.522 3.502 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000651719224 945771485 /nfs/dbraw/zinc/77/14/85/945771485.db2.gz MZVQGMVAXAJBDM-OXJNMPFZSA-N 2 1 367.522 3.502 20 0 FHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519817109 945783312 /nfs/dbraw/zinc/78/33/12/945783312.db2.gz BEVDGIURNVYNDM-IBGZPJMESA-N 2 1 369.484 3.574 20 0 FHADMP COc1cc(OC)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726871 945783451 /nfs/dbraw/zinc/78/34/51/945783451.db2.gz CGHSEMFNNPNQFA-OXJNMPFZSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726871 945783456 /nfs/dbraw/zinc/78/34/56/945783456.db2.gz CGHSEMFNNPNQFA-OXJNMPFZSA-N 2 1 372.484 3.843 20 0 FHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444090326 945839798 /nfs/dbraw/zinc/83/97/98/945839798.db2.gz RHFOGMSVDXAWIB-BFUACXKISA-N 2 1 371.569 3.759 20 0 FHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444090326 945839806 /nfs/dbraw/zinc/83/98/06/945839806.db2.gz RHFOGMSVDXAWIB-BFUACXKISA-N 2 1 371.569 3.759 20 0 FHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444090326 945839820 /nfs/dbraw/zinc/83/98/20/945839820.db2.gz RHFOGMSVDXAWIB-BFUACXKISA-N 2 1 371.569 3.759 20 0 FHADMP C[C@H]1CC([N@H+](CCO)Cc2cccs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050466 945883534 /nfs/dbraw/zinc/88/35/34/945883534.db2.gz BAQJYODRDKIKGL-ROUUACIJSA-N 2 1 358.551 3.984 20 0 FHADMP C[C@H]1CC([N@@H+](CCO)Cc2cccs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168050466 945883540 /nfs/dbraw/zinc/88/35/40/945883540.db2.gz BAQJYODRDKIKGL-ROUUACIJSA-N 2 1 358.551 3.984 20 0 FHADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@H]21 ZINC000301707592 945925399 /nfs/dbraw/zinc/92/53/99/945925399.db2.gz JBTISOYFHPXJAS-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@H]21 ZINC000301707592 945925408 /nfs/dbraw/zinc/92/54/08/945925408.db2.gz JBTISOYFHPXJAS-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@H]21 ZINC000301707595 945925468 /nfs/dbraw/zinc/92/54/68/945925468.db2.gz JBTISOYFHPXJAS-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@H]21 ZINC000301707595 945925474 /nfs/dbraw/zinc/92/54/74/945925474.db2.gz JBTISOYFHPXJAS-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000522893113 946073834 /nfs/dbraw/zinc/07/38/34/946073834.db2.gz HWVYHOMZMOPUGE-GHTZIAJQSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000522893113 946073822 /nfs/dbraw/zinc/07/38/22/946073822.db2.gz HWVYHOMZMOPUGE-GHTZIAJQSA-N 2 1 357.542 3.552 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168052930 946148259 /nfs/dbraw/zinc/14/82/59/946148259.db2.gz LRDMLXGSOGQEEW-IPJJNNNSSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052930 946148264 /nfs/dbraw/zinc/14/82/64/946148264.db2.gz LRDMLXGSOGQEEW-IPJJNNNSSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168052930 946148269 /nfs/dbraw/zinc/14/82/69/946148269.db2.gz LRDMLXGSOGQEEW-IPJJNNNSSA-N 2 1 371.569 3.809 20 0 FHADMP Cc1csc2nc(C)nc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c12 ZINC000302286461 946202385 /nfs/dbraw/zinc/20/23/85/946202385.db2.gz MAPRLTQQADDURZ-UHFFFAOYSA-N 2 1 373.570 3.670 20 0 FHADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970040 946213436 /nfs/dbraw/zinc/21/34/36/946213436.db2.gz YUPLVPZHKVYDJC-PBHICJAKSA-N 2 1 374.916 3.696 20 0 FHADMP Cc1cc(C)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000520190462 946251485 /nfs/dbraw/zinc/25/14/85/946251485.db2.gz TZSUNJZTQBFLDZ-HXUWFJFHSA-N 2 1 357.567 3.752 20 0 FHADMP CCOc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCc1ccccc1 ZINC000520221170 946285411 /nfs/dbraw/zinc/28/54/11/946285411.db2.gz UUFUKWBVUVOAHB-UHFFFAOYSA-N 2 1 365.477 3.959 20 0 FHADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000520290342 946366655 /nfs/dbraw/zinc/36/66/55/946366655.db2.gz GNPBNBJYXWXTJH-QUCCMNQESA-N 2 1 357.542 3.641 20 0 FHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000152436226 946412651 /nfs/dbraw/zinc/41/26/51/946412651.db2.gz RKASWRGOMMEFID-KDOFPFPSSA-N 2 1 371.352 3.971 20 0 FHADMP C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487456 946425058 /nfs/dbraw/zinc/42/50/58/946425058.db2.gz JWVLENDEUWKSGJ-CHWSQXEVSA-N 2 1 361.477 3.991 20 0 FHADMP C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487456 946425064 /nfs/dbraw/zinc/42/50/64/946425064.db2.gz JWVLENDEUWKSGJ-CHWSQXEVSA-N 2 1 361.477 3.991 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488935 946431157 /nfs/dbraw/zinc/43/11/57/946431157.db2.gz VTUOAZOIJYNXCT-BDXSIMOUSA-N 2 1 365.562 3.532 20 0 FHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359570 946485365 /nfs/dbraw/zinc/48/53/65/946485365.db2.gz RRGXITAVODVJKX-VXKWHMMOSA-N 2 1 371.569 3.552 20 0 FHADMP C[C@H](OC[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363691 946509860 /nfs/dbraw/zinc/50/98/60/946509860.db2.gz KBPDXUVWWCEBHP-PWIZWCRZSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000441363691 946509868 /nfs/dbraw/zinc/50/98/68/946509868.db2.gz KBPDXUVWWCEBHP-PWIZWCRZSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000441363691 946509874 /nfs/dbraw/zinc/50/98/74/946509874.db2.gz KBPDXUVWWCEBHP-PWIZWCRZSA-N 2 1 368.949 3.585 20 0 FHADMP Clc1ccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000655719077 946557525 /nfs/dbraw/zinc/55/75/25/946557525.db2.gz PDPLPWFMZWDPRI-KRWDZBQOSA-N 2 1 357.325 3.769 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396833 946560154 /nfs/dbraw/zinc/56/01/54/946560154.db2.gz OTIKHZARLMNCMA-FUHWJXTLSA-N 2 1 372.475 3.711 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168058811 946629841 /nfs/dbraw/zinc/62/98/41/946629841.db2.gz CNTSRWUPKWDPAF-DSMCQNTQSA-N 2 1 370.537 3.702 20 0 FHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168058811 946629849 /nfs/dbraw/zinc/62/98/49/946629849.db2.gz CNTSRWUPKWDPAF-DSMCQNTQSA-N 2 1 370.537 3.702 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000162813785 946727598 /nfs/dbraw/zinc/72/75/98/946727598.db2.gz OISNMYIPDYINDE-UHFFFAOYSA-N 2 1 361.852 3.827 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000162813785 946727612 /nfs/dbraw/zinc/72/76/12/946727612.db2.gz OISNMYIPDYINDE-UHFFFAOYSA-N 2 1 361.852 3.827 20 0 FHADMP COC(=O)CC[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059780 946746658 /nfs/dbraw/zinc/74/66/58/946746658.db2.gz HDZOZIKXXODVNW-CMKODMSKSA-N 2 1 358.526 3.703 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475284517 946820920 /nfs/dbraw/zinc/82/09/20/946820920.db2.gz YKWKQHLXSFEDIX-SFHVURJKSA-N 2 1 364.518 3.817 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475284517 946820932 /nfs/dbraw/zinc/82/09/32/946820932.db2.gz YKWKQHLXSFEDIX-SFHVURJKSA-N 2 1 364.518 3.817 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346315 946872226 /nfs/dbraw/zinc/87/22/26/946872226.db2.gz YMKTYVRSSYYZGI-SIIHOXLZSA-N 2 1 373.324 3.591 20 0 FHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347799 946878180 /nfs/dbraw/zinc/87/81/80/946878180.db2.gz MHPXRUOJRNZUJW-LLDVTBCESA-N 2 1 367.331 3.728 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347420 946885364 /nfs/dbraw/zinc/88/53/64/946885364.db2.gz AMTCRRLDEIGSLV-VIZSFHNOSA-N 2 1 368.521 3.827 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348641 946886603 /nfs/dbraw/zinc/88/66/03/946886603.db2.gz LRBCQKUDLMBHTN-XJUOHMSHSA-N 2 1 368.521 3.827 20 0 FHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994264 946903164 /nfs/dbraw/zinc/90/31/64/946903164.db2.gz AUECTHNZAIZLCG-JGMJOYBNSA-N 2 1 374.569 3.834 20 0 FHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994264 946903170 /nfs/dbraw/zinc/90/31/70/946903170.db2.gz AUECTHNZAIZLCG-JGMJOYBNSA-N 2 1 374.569 3.834 20 0 FHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994264 946903176 /nfs/dbraw/zinc/90/31/76/946903176.db2.gz AUECTHNZAIZLCG-JGMJOYBNSA-N 2 1 374.569 3.834 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H](c1nc(-c3ccccc3)no1)c1ccccc1)C2 ZINC000652352234 946910078 /nfs/dbraw/zinc/91/00/78/946910078.db2.gz VPADDYIAVQGHRL-MZKRTTBSSA-N 2 1 374.488 3.887 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H](c1nc(-c3ccccc3)no1)c1ccccc1)C2 ZINC000652352234 946910085 /nfs/dbraw/zinc/91/00/85/946910085.db2.gz VPADDYIAVQGHRL-MZKRTTBSSA-N 2 1 374.488 3.887 20 0 FHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])c2)cs1 ZINC000652355509 946916392 /nfs/dbraw/zinc/91/63/92/946916392.db2.gz ZMEUFPSETBFLJF-AUUYWEPGSA-N 2 1 372.538 3.506 20 0 FHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])c2)cs1 ZINC000652355509 946916396 /nfs/dbraw/zinc/91/63/96/946916396.db2.gz ZMEUFPSETBFLJF-AUUYWEPGSA-N 2 1 372.538 3.506 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000123956020 946918026 /nfs/dbraw/zinc/91/80/26/946918026.db2.gz WYSZUTCLHRYNCS-FQEVSTJZSA-N 2 1 351.494 3.647 20 0 FHADMP CC(C)Cc1ncc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000475348116 946920236 /nfs/dbraw/zinc/92/02/36/946920236.db2.gz BNMOYBLZTVZPHM-KDURUIRLSA-N 2 1 355.551 3.905 20 0 FHADMP C[C@@H]1CC([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062130 946951511 /nfs/dbraw/zinc/95/15/11/946951511.db2.gz JCINGIRNVRELJD-MBOZVWFJSA-N 2 1 364.480 3.928 20 0 FHADMP CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000665629602 947097100 /nfs/dbraw/zinc/09/71/00/947097100.db2.gz NCPODISZPJWXTP-IBGZPJMESA-N 2 1 369.513 3.661 20 0 FHADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000665629602 947097113 /nfs/dbraw/zinc/09/71/13/947097113.db2.gz NCPODISZPJWXTP-IBGZPJMESA-N 2 1 369.513 3.661 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](Oc3ccncc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065675 947179614 /nfs/dbraw/zinc/17/96/14/947179614.db2.gz XLCIHCBXVNBMTD-MHXAIHSWSA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065675 947179616 /nfs/dbraw/zinc/17/96/16/947179616.db2.gz XLCIHCBXVNBMTD-MHXAIHSWSA-N 2 1 365.521 3.976 20 0 FHADMP Brc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441444541 947447629 /nfs/dbraw/zinc/44/76/29/947447629.db2.gz DMTLWXLUCQNKKE-INIZCTEOSA-N 2 1 367.331 3.636 20 0 FHADMP Brc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441444541 947447633 /nfs/dbraw/zinc/44/76/33/947447633.db2.gz DMTLWXLUCQNKKE-INIZCTEOSA-N 2 1 367.331 3.636 20 0 FHADMP Cn1cc(CCC[NH2+]CC2([N@H+](C)Cc3ccccc3)CCCCC2)cn1 ZINC000714239285 947467149 /nfs/dbraw/zinc/46/71/49/947467149.db2.gz UWAOPWXFVTZNBX-UHFFFAOYSA-N 2 1 354.542 3.777 20 0 FHADMP Cn1cc(CCC[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCCCC2)cn1 ZINC000714239285 947467154 /nfs/dbraw/zinc/46/71/54/947467154.db2.gz UWAOPWXFVTZNBX-UHFFFAOYSA-N 2 1 354.542 3.777 20 0 FHADMP CCc1ccc(CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000523775258 947598319 /nfs/dbraw/zinc/59/83/19/947598319.db2.gz GWGAXEXSLOSFQJ-UHFFFAOYSA-N 2 1 365.565 3.541 20 0 FHADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460358 947608957 /nfs/dbraw/zinc/60/89/57/947608957.db2.gz CWYRIAKPBHMOJL-COPCDDAFSA-N 2 1 369.553 3.552 20 0 FHADMP COCCC1(C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCCCC1 ZINC000189189325 947632042 /nfs/dbraw/zinc/63/20/42/947632042.db2.gz JYHJJCQVVGSPND-UHFFFAOYSA-N 2 1 352.563 3.598 20 0 FHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000523851056 947652358 /nfs/dbraw/zinc/65/23/58/947652358.db2.gz IYLODJHQPHZYJF-CZUORRHYSA-N 2 1 373.463 3.988 20 0 FHADMP COc1ccccc1C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000662251159 947669710 /nfs/dbraw/zinc/66/97/10/947669710.db2.gz AFUWRUMKJDDDRA-OAQYLSRUSA-N 2 1 366.505 3.522 20 0 FHADMP COc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1OC(F)F ZINC000662250477 947672972 /nfs/dbraw/zinc/67/29/72/947672972.db2.gz IZLDCUFTQWNBDQ-UHFFFAOYSA-N 2 1 362.420 3.574 20 0 FHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258632 947685414 /nfs/dbraw/zinc/68/54/14/947685414.db2.gz WEFLHAAXLXUQBM-HXUWFJFHSA-N 2 1 369.509 3.507 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292948 947714844 /nfs/dbraw/zinc/71/48/44/947714844.db2.gz CJLUKHIISUMSDF-UKRRQHHQSA-N 2 1 367.896 3.518 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292948 947714849 /nfs/dbraw/zinc/71/48/49/947714849.db2.gz CJLUKHIISUMSDF-UKRRQHHQSA-N 2 1 367.896 3.518 20 0 FHADMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1Cl ZINC000662293618 947716618 /nfs/dbraw/zinc/71/66/18/947716618.db2.gz GQWFONAEMAGOCY-AWEZNQCLSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1Cl ZINC000662293618 947716626 /nfs/dbraw/zinc/71/66/26/947716626.db2.gz GQWFONAEMAGOCY-AWEZNQCLSA-N 2 1 370.324 3.644 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189397858 947725275 /nfs/dbraw/zinc/72/52/75/947725275.db2.gz VKGOPUCWKQWJTA-YLJYHZDGSA-N 2 1 370.516 3.813 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189397858 947725283 /nfs/dbraw/zinc/72/52/83/947725283.db2.gz VKGOPUCWKQWJTA-YLJYHZDGSA-N 2 1 370.516 3.813 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCO1 ZINC000662320861 947749546 /nfs/dbraw/zinc/74/95/46/947749546.db2.gz FAIGJOYGUVEUAX-HSZRJFAPSA-N 2 1 368.521 3.808 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCO1 ZINC000662320861 947749552 /nfs/dbraw/zinc/74/95/52/947749552.db2.gz FAIGJOYGUVEUAX-HSZRJFAPSA-N 2 1 368.521 3.808 20 0 FHADMP C[C@@H](c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325756 947751267 /nfs/dbraw/zinc/75/12/67/947751267.db2.gz JKYPYQXVFOSICJ-YJBOKZPZSA-N 2 1 358.448 3.895 20 0 FHADMP C[C@@H](c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325756 947751270 /nfs/dbraw/zinc/75/12/70/947751270.db2.gz JKYPYQXVFOSICJ-YJBOKZPZSA-N 2 1 358.448 3.895 20 0 FHADMP Clc1sccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326707 947758754 /nfs/dbraw/zinc/75/87/54/947758754.db2.gz APGBOSVMHWABGI-UHFFFAOYSA-N 2 1 364.946 3.971 20 0 FHADMP Clc1sccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326707 947758758 /nfs/dbraw/zinc/75/87/58/947758758.db2.gz APGBOSVMHWABGI-UHFFFAOYSA-N 2 1 364.946 3.971 20 0 FHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162263222 947805234 /nfs/dbraw/zinc/80/52/34/947805234.db2.gz MUSZBGWVSROFOB-MRXNPFEDSA-N 2 1 354.498 3.730 20 0 FHADMP Fc1c(Br)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344943 947811107 /nfs/dbraw/zinc/81/11/07/947811107.db2.gz ZMEZLOFICVKFLP-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1c(Br)cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344943 947811113 /nfs/dbraw/zinc/81/11/13/947811113.db2.gz ZMEZLOFICVKFLP-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000663346981 947814431 /nfs/dbraw/zinc/81/44/31/947814431.db2.gz DRENTYJITBLJCD-HXUWFJFHSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000663346981 947814442 /nfs/dbraw/zinc/81/44/42/947814442.db2.gz DRENTYJITBLJCD-HXUWFJFHSA-N 2 1 365.521 3.872 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663362984 947852465 /nfs/dbraw/zinc/85/24/65/947852465.db2.gz DLADWXKAFSJIMR-NRFANRHFSA-N 2 1 352.526 3.915 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467977 948054630 /nfs/dbraw/zinc/05/46/30/948054630.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467977 948054631 /nfs/dbraw/zinc/05/46/31/948054631.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467977 948054633 /nfs/dbraw/zinc/05/46/33/948054633.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467977 948054638 /nfs/dbraw/zinc/05/46/38/948054638.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467977 948054641 /nfs/dbraw/zinc/05/46/41/948054641.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467977 948054644 /nfs/dbraw/zinc/05/46/44/948054644.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467977 948054649 /nfs/dbraw/zinc/05/46/49/948054649.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 3 1 355.570 3.609 20 0 FHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466771 948058004 /nfs/dbraw/zinc/05/80/04/948058004.db2.gz ACFHXXORCUQQTB-AZUAARDMSA-N 2 1 357.542 3.732 20 0 FHADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472205 948068571 /nfs/dbraw/zinc/06/85/71/948068571.db2.gz ZOCRYXRLRONCIC-NQIIRXRSSA-N 2 1 352.526 3.704 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472205 948068577 /nfs/dbraw/zinc/06/85/77/948068577.db2.gz ZOCRYXRLRONCIC-NQIIRXRSSA-N 2 1 352.526 3.704 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472205 948068585 /nfs/dbraw/zinc/06/85/85/948068585.db2.gz ZOCRYXRLRONCIC-NQIIRXRSSA-N 2 1 352.526 3.704 20 0 FHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCC2 ZINC000536424999 948071826 /nfs/dbraw/zinc/07/18/26/948071826.db2.gz YXVAHHUAHWHSHQ-JOCHJYFZSA-N 2 1 371.569 3.720 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821147 948079167 /nfs/dbraw/zinc/07/91/67/948079167.db2.gz BVLDFHMROGMSIT-PXNSSMCTSA-N 2 1 363.571 3.687 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c2cccc(Br)c21 ZINC000925780781 948096448 /nfs/dbraw/zinc/09/64/48/948096448.db2.gz GPRLMSLVZVUILU-SUNKGSAMSA-N 2 1 359.258 3.832 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823544 948100942 /nfs/dbraw/zinc/10/09/42/948100942.db2.gz DIEHFINRDBBMTD-NFBKMPQASA-N 2 1 371.569 3.934 20 0 FHADMP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167824724 948112891 /nfs/dbraw/zinc/11/28/91/948112891.db2.gz FYNACJUCYUTTLM-ROUUACIJSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001167825126 948117270 /nfs/dbraw/zinc/11/72/70/948117270.db2.gz REEUMSFYJNSTEP-MOPGFXCFSA-N 3 1 363.594 3.610 20 0 FHADMP CC(=O)Nc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278920522 948117873 /nfs/dbraw/zinc/11/78/73/948117873.db2.gz RMHFOTKVUVEPMW-UHFFFAOYSA-N 2 1 352.482 3.557 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825725 948126309 /nfs/dbraw/zinc/12/63/09/948126309.db2.gz SRIZNBIDYLSIIK-OALUTQOASA-N 3 1 353.595 3.509 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001167826305 948129770 /nfs/dbraw/zinc/12/97/70/948129770.db2.gz OTYVIYIOMDZFED-NRFANRHFSA-N 3 1 372.601 3.880 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167826987 948134884 /nfs/dbraw/zinc/13/48/84/948134884.db2.gz SSCRKAKYCQIUMS-KRWDZBQOSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001167827633 948156507 /nfs/dbraw/zinc/15/65/07/948156507.db2.gz UIZQFWYOMMOBRX-KSEOMHKRSA-N 2 1 366.590 3.652 20 0 FHADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000643528009 948180181 /nfs/dbraw/zinc/18/01/81/948180181.db2.gz XIPXWDSVIXPTIJ-ISVAXAHUSA-N 2 1 362.109 3.526 20 0 FHADMP C[C@@H]1CN(CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCO1 ZINC000432346718 948182580 /nfs/dbraw/zinc/18/25/80/948182580.db2.gz KEWKGQSEYVQTJI-OAHLLOKOSA-N 2 1 364.436 3.815 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000432352167 948198345 /nfs/dbraw/zinc/19/83/45/948198345.db2.gz WDMRJAZZXOXDBY-CYBMUJFWSA-N 2 1 364.839 3.949 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262109278 948246044 /nfs/dbraw/zinc/24/60/44/948246044.db2.gz WFYCQMRDVPUFTC-UHFFFAOYSA-N 2 1 352.906 3.713 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3F)C2)CC1 ZINC000507777057 948265272 /nfs/dbraw/zinc/26/52/72/948265272.db2.gz OWABPZWMWNRDOT-JOCHJYFZSA-N 2 1 367.512 3.705 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001167835604 948300706 /nfs/dbraw/zinc/30/07/06/948300706.db2.gz RTCKLBMWSCDEHF-YLJYHZDGSA-N 2 1 363.521 3.530 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167836552 948306802 /nfs/dbraw/zinc/30/68/02/948306802.db2.gz FHEKKPMKWRUSMK-KURKYZTESA-N 2 1 355.567 3.827 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836804 948307408 /nfs/dbraw/zinc/30/74/08/948307408.db2.gz HLSAGJUFRNJZQF-ROUUACIJSA-N 2 1 355.567 3.876 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1F ZINC000278957660 948336714 /nfs/dbraw/zinc/33/67/14/948336714.db2.gz MDTDTZAXCOVHGF-VXGBXAGGSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405036 948348646 /nfs/dbraw/zinc/34/86/46/948348646.db2.gz GNGNXRCYINJQOV-GJZGRUSLSA-N 2 1 360.420 3.737 20 0 FHADMP COc1cccc(C2(C[NH2+]Cc3ncc(C[NH+](C)C)s3)CCCC2)c1 ZINC000512067920 948350282 /nfs/dbraw/zinc/35/02/82/948350282.db2.gz OBFRHMJJIFFLKC-UHFFFAOYSA-N 2 1 359.539 3.815 20 0 FHADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166851247 948355307 /nfs/dbraw/zinc/35/53/07/948355307.db2.gz JCQKMWRTTVWRIJ-XJUOHMSHSA-N 2 1 366.505 3.515 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410924 948356988 /nfs/dbraw/zinc/35/69/88/948356988.db2.gz SYEGPEIYXLVLEH-RBUKOAKNSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410924 948356989 /nfs/dbraw/zinc/35/69/89/948356989.db2.gz SYEGPEIYXLVLEH-RBUKOAKNSA-N 2 1 353.510 3.900 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001167841695 948366351 /nfs/dbraw/zinc/36/63/51/948366351.db2.gz PBLZRJQYSHMWOX-QRVBRYPASA-N 2 1 367.578 3.828 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417700 948370416 /nfs/dbraw/zinc/37/04/16/948370416.db2.gz NSZGHBFNRQZTFS-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417700 948370423 /nfs/dbraw/zinc/37/04/23/948370423.db2.gz NSZGHBFNRQZTFS-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP c1ccc(C2([NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)CC2)cc1 ZINC001168004341 948373013 /nfs/dbraw/zinc/37/30/13/948373013.db2.gz TZGBQGSJKYUDKF-AIZNXBIQSA-N 2 1 365.565 3.699 20 0 FHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512087639 948390513 /nfs/dbraw/zinc/39/05/13/948390513.db2.gz KDOVFDBMNMBEFY-LBPRGKRZSA-N 2 1 368.344 3.688 20 0 FHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152395090 948483214 /nfs/dbraw/zinc/48/32/14/948483214.db2.gz PTDTWPAVFLSYAY-PIGZYNQJSA-N 2 1 353.279 3.649 20 0 FHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC000512135096 948514510 /nfs/dbraw/zinc/51/45/10/948514510.db2.gz FJKVRENFVOJTQM-NSCUHMNNSA-N 2 1 371.475 3.515 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000512137591 948530013 /nfs/dbraw/zinc/53/00/13/948530013.db2.gz VQHGAXIHLIILGA-QGZVFWFLSA-N 2 1 372.582 3.869 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000512137591 948530022 /nfs/dbraw/zinc/53/00/22/948530022.db2.gz VQHGAXIHLIILGA-QGZVFWFLSA-N 2 1 372.582 3.869 20 0 FHADMP CC1CC[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000507794616 948541623 /nfs/dbraw/zinc/54/16/23/948541623.db2.gz LZGBSUWXPOZARO-HXUWFJFHSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1 ZINC000512176568 948661366 /nfs/dbraw/zinc/66/13/66/948661366.db2.gz BBFMAKUUIUCTSY-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1 ZINC000512176568 948661373 /nfs/dbraw/zinc/66/13/73/948661373.db2.gz BBFMAKUUIUCTSY-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187077443 948783128 /nfs/dbraw/zinc/78/31/28/948783128.db2.gz NJNQGFDOQHJEGD-SZPZYZBQSA-N 2 1 373.585 3.726 20 0 FHADMP CC[C@@H]1CCCC[N@@H+]1CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603515164 568111393 /nfs/dbraw/zinc/11/13/93/568111393.db2.gz WFJTVKQEXTZVAR-OAQYLSRUSA-N 2 1 359.558 3.515 20 0 FHADMP CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603515164 568111394 /nfs/dbraw/zinc/11/13/94/568111394.db2.gz WFJTVKQEXTZVAR-OAQYLSRUSA-N 2 1 359.558 3.515 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H](NC3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119699 568224541 /nfs/dbraw/zinc/22/45/41/568224541.db2.gz FTCVNNIFPRYKFP-ITAUSPCMSA-N 2 1 353.554 3.790 20 0 FHADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000567871164 568263398 /nfs/dbraw/zinc/26/33/98/568263398.db2.gz USMUMIFMCXQKLE-MNOVXSKESA-N 2 1 354.317 3.788 20 0 FHADMP c1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC000643250633 568318318 /nfs/dbraw/zinc/31/83/18/568318318.db2.gz SDFNZASPFOXABI-QFIPXVFZSA-N 2 1 368.546 3.809 20 0 FHADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCS2)cc1 ZINC000643250633 568318319 /nfs/dbraw/zinc/31/83/19/568318319.db2.gz SDFNZASPFOXABI-QFIPXVFZSA-N 2 1 368.546 3.809 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429633 568430038 /nfs/dbraw/zinc/43/00/38/568430038.db2.gz PUSCSENKFXCOSG-YOEHRIQHSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429633 568430040 /nfs/dbraw/zinc/43/00/40/568430040.db2.gz PUSCSENKFXCOSG-YOEHRIQHSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268258 599319887 /nfs/dbraw/zinc/31/98/87/599319887.db2.gz RSNXEZLBQICJBR-FGTMMUONSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736268258 599319892 /nfs/dbraw/zinc/31/98/92/599319892.db2.gz RSNXEZLBQICJBR-FGTMMUONSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736268258 599319894 /nfs/dbraw/zinc/31/98/94/599319894.db2.gz RSNXEZLBQICJBR-FGTMMUONSA-N 2 1 368.529 3.514 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822476936 607014251 /nfs/dbraw/zinc/01/42/51/607014251.db2.gz AMGPBMBNOYZBCG-CABCVRRESA-N 2 1 373.464 3.773 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822477083 607087085 /nfs/dbraw/zinc/08/70/85/607087085.db2.gz FXEGQNNWGPZXSM-CABCVRRESA-N 2 1 373.464 3.773 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427878 718946478 /nfs/dbraw/zinc/94/64/78/718946478.db2.gz GXPVUNIRZDJRHY-YPAWHYETSA-N 2 1 362.521 3.704 20 0 FHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813056 720184782 /nfs/dbraw/zinc/18/47/82/720184782.db2.gz CDNICPMZQBLMLP-REWPJTCUSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813056 720184787 /nfs/dbraw/zinc/18/47/87/720184787.db2.gz CDNICPMZQBLMLP-REWPJTCUSA-N 2 1 365.521 3.728 20 0 FHADMP CCOc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164791547 721494655 /nfs/dbraw/zinc/49/46/55/721494655.db2.gz DHXCGZXIRNITOT-UHFFFAOYSA-N 2 1 366.509 3.756 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165019711 721811497 /nfs/dbraw/zinc/81/14/97/721811497.db2.gz BLLRFOALVBYBLQ-TYPHKJRUSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165019711 721811498 /nfs/dbraw/zinc/81/14/98/721811498.db2.gz BLLRFOALVBYBLQ-TYPHKJRUSA-N 2 1 350.510 3.830 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000472274183 936339623 /nfs/dbraw/zinc/33/96/23/936339623.db2.gz HJRKSHMNYOCUBN-LJQANCHMSA-N 2 1 357.498 3.583 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000472274183 936339629 /nfs/dbraw/zinc/33/96/29/936339629.db2.gz HJRKSHMNYOCUBN-LJQANCHMSA-N 2 1 357.498 3.583 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000511769828 945065537 /nfs/dbraw/zinc/06/55/37/945065537.db2.gz IDDIOQDDMVLMSE-SJLPKXTDSA-N 2 1 362.468 3.539 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000511769830 945065978 /nfs/dbraw/zinc/06/59/78/945065978.db2.gz IDDIOQDDMVLMSE-WMZOPIPTSA-N 2 1 362.468 3.539 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCn1cc[nH+]c1C)CC3 ZINC000123304309 937135546 /nfs/dbraw/zinc/13/55/46/937135546.db2.gz MAYBDTJZSUEDNY-MRXNPFEDSA-N 2 1 352.482 3.609 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000579693372 927117040 /nfs/dbraw/zinc/11/70/40/927117040.db2.gz VHKGLZFKNZKNKV-GMAHTHKFSA-N 2 1 360.505 3.840 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000579693372 927117048 /nfs/dbraw/zinc/11/70/48/927117048.db2.gz VHKGLZFKNZKNKV-GMAHTHKFSA-N 2 1 360.505 3.840 20 0 FHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1c(Cl)cccc1Cl ZINC000150763353 937151801 /nfs/dbraw/zinc/15/18/01/937151801.db2.gz SCYWBBXVCUNBCH-CQSZACIVSA-N 2 1 370.324 3.740 20 0 FHADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776684 927387915 /nfs/dbraw/zinc/38/79/15/927387915.db2.gz ZNBASJDDOFADJS-MAUKXSAKSA-N 2 1 358.448 3.635 20 0 FHADMP COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3cccc(O)c3)CC2)c1C ZINC000579777502 927397041 /nfs/dbraw/zinc/39/70/41/927397041.db2.gz RKNUXJRNDUZQDH-UHFFFAOYSA-N 2 1 369.509 3.509 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(O)c3)CC2)c1C ZINC000579777502 927397052 /nfs/dbraw/zinc/39/70/52/927397052.db2.gz RKNUXJRNDUZQDH-UHFFFAOYSA-N 2 1 369.509 3.509 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(O)c3)CC2)c1C ZINC000579777502 927397062 /nfs/dbraw/zinc/39/70/62/927397062.db2.gz RKNUXJRNDUZQDH-UHFFFAOYSA-N 2 1 369.509 3.509 20 0 FHADMP CS[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](SC)C3)c2)C1 ZINC000579797379 927541777 /nfs/dbraw/zinc/54/17/77/927541777.db2.gz WBHDJYMDBPDIAR-SJORKVTESA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](SC)C3)c2)C1 ZINC000579797379 927541786 /nfs/dbraw/zinc/54/17/86/927541786.db2.gz WBHDJYMDBPDIAR-SJORKVTESA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](SC)C3)c2)C1 ZINC000579797379 927541799 /nfs/dbraw/zinc/54/17/99/927541799.db2.gz WBHDJYMDBPDIAR-SJORKVTESA-N 2 1 354.560 3.700 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510078213 927823457 /nfs/dbraw/zinc/82/34/57/927823457.db2.gz YIHRZOJGNAFPDL-WOJBJXKFSA-N 2 1 359.558 3.570 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000583198989 937234095 /nfs/dbraw/zinc/23/40/95/937234095.db2.gz SWJNMSBTBARKML-INIZCTEOSA-N 2 1 351.922 3.913 20 0 FHADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170847 928504989 /nfs/dbraw/zinc/50/49/89/928504989.db2.gz UKAUFZFLJMSULQ-SFHVURJKSA-N 2 1 371.500 3.649 20 0 FHADMP CC[C@H]1c2ccccc2CN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000890615069 928582276 /nfs/dbraw/zinc/58/22/76/928582276.db2.gz PEOPLBVSOWYZBM-QFIPXVFZSA-N 2 1 369.553 3.676 20 0 FHADMP CC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274901776 929008772 /nfs/dbraw/zinc/00/87/72/929008772.db2.gz LKALYWICMLYAOE-XMSQKQJNSA-N 2 1 365.521 3.688 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(Cl)cn3)CC2)oc1C ZINC000274946539 929075726 /nfs/dbraw/zinc/07/57/26/929075726.db2.gz UNFLPWSCIXGUDX-CQSZACIVSA-N 2 1 362.905 3.903 20 0 FHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)CC2)[nH+]c1 ZINC000655432520 929112270 /nfs/dbraw/zinc/11/22/70/929112270.db2.gz ZYAVIMKBEJOMHU-UHFFFAOYSA-N 2 1 366.509 3.615 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000154847246 929364857 /nfs/dbraw/zinc/36/48/57/929364857.db2.gz MAIYWNFSSACUNF-KRWDZBQOSA-N 2 1 374.550 3.781 20 0 FHADMP Cc1cc(=O)oc2cc(OCC[NH+]3CCC(C[N@H+](C)C(C)C)CC3)ccc12 ZINC000077281016 929388148 /nfs/dbraw/zinc/38/81/48/929388148.db2.gz CYVNBEASFHVEGQ-UHFFFAOYSA-N 2 1 372.509 3.532 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)[C@H](C)C1 ZINC000533530765 929580865 /nfs/dbraw/zinc/58/08/65/929580865.db2.gz FEPREKIERLEXGA-GCJKJVERSA-N 2 1 353.510 3.823 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)[C@H](C)C1 ZINC000533530765 929580870 /nfs/dbraw/zinc/58/08/70/929580870.db2.gz FEPREKIERLEXGA-GCJKJVERSA-N 2 1 353.510 3.823 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccnc3)cc2)[C@H](C)C1 ZINC000533530765 929580880 /nfs/dbraw/zinc/58/08/80/929580880.db2.gz FEPREKIERLEXGA-GCJKJVERSA-N 2 1 353.510 3.823 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000651966781 929750311 /nfs/dbraw/zinc/75/03/11/929750311.db2.gz CBJPZARLVASQGU-HWHRFOGPSA-N 2 1 365.521 3.802 20 0 FHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657753086 937356919 /nfs/dbraw/zinc/35/69/19/937356919.db2.gz TWYFSUYUEBDCOJ-XOVFHRFOSA-N 2 1 366.452 3.534 20 0 FHADMP C[C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)CC[NH2+]1 ZINC001210495772 929857144 /nfs/dbraw/zinc/85/71/44/929857144.db2.gz BTZQNTVZWFAVNA-CQSZACIVSA-N 2 1 360.299 3.695 20 0 FHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CC[NH2+]1 ZINC001210495772 929857148 /nfs/dbraw/zinc/85/71/48/929857148.db2.gz BTZQNTVZWFAVNA-CQSZACIVSA-N 2 1 360.299 3.695 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151958693 930051126 /nfs/dbraw/zinc/05/11/26/930051126.db2.gz DSQQRGQLEUACHY-RTBURBONSA-N 2 1 361.549 3.543 20 0 FHADMP CSc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000580134409 930288142 /nfs/dbraw/zinc/28/81/42/930288142.db2.gz AUVZOQBJAAYOMP-GOSISDBHSA-N 2 1 361.580 3.548 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000046935729 930346237 /nfs/dbraw/zinc/34/62/37/930346237.db2.gz ZCUANRFYZPCBBM-UHFFFAOYSA-N 2 1 371.525 3.892 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190013 930350590 /nfs/dbraw/zinc/35/05/90/930350590.db2.gz BDHZXIDLXPJAIS-JOCHJYFZSA-N 2 1 361.549 3.639 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314537 930486223 /nfs/dbraw/zinc/48/62/23/930486223.db2.gz YHEMYLBEWZVHLL-APWZRJJASA-N 2 1 372.475 3.711 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000160462042 930530942 /nfs/dbraw/zinc/53/09/42/930530942.db2.gz QUHMGZGZKKJXIV-JOCHJYFZSA-N 2 1 366.505 3.695 20 0 FHADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000312838266 930641312 /nfs/dbraw/zinc/64/13/12/930641312.db2.gz DZSSXLSVQAQJJW-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000312838266 930641316 /nfs/dbraw/zinc/64/13/16/930641316.db2.gz DZSSXLSVQAQJJW-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000312838266 930641322 /nfs/dbraw/zinc/64/13/22/930641322.db2.gz DZSSXLSVQAQJJW-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000312838266 930641323 /nfs/dbraw/zinc/64/13/23/930641323.db2.gz DZSSXLSVQAQJJW-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000153270128 930652974 /nfs/dbraw/zinc/65/29/74/930652974.db2.gz VJIKATHHPDUWLQ-OAQYLSRUSA-N 2 1 359.558 3.685 20 0 FHADMP COc1ccccc1[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000153270128 930652976 /nfs/dbraw/zinc/65/29/76/930652976.db2.gz VJIKATHHPDUWLQ-OAQYLSRUSA-N 2 1 359.558 3.685 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000548095344 930674739 /nfs/dbraw/zinc/67/47/39/930674739.db2.gz YOQAMEQNQNFYCV-HSZRJFAPSA-N 2 1 354.538 3.795 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000580603902 930913421 /nfs/dbraw/zinc/91/34/21/930913421.db2.gz BPULYIRPYYXHLM-INIZCTEOSA-N 2 1 366.431 3.820 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000580603902 930913427 /nfs/dbraw/zinc/91/34/27/930913427.db2.gz BPULYIRPYYXHLM-INIZCTEOSA-N 2 1 366.431 3.820 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000580740232 931083350 /nfs/dbraw/zinc/08/33/50/931083350.db2.gz IFXLBZYNMKBMOH-UHFFFAOYSA-N 2 1 366.513 3.555 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000580740232 931083359 /nfs/dbraw/zinc/08/33/59/931083359.db2.gz IFXLBZYNMKBMOH-UHFFFAOYSA-N 2 1 366.513 3.555 20 0 FHADMP C[NH+](C)Cc1ccccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000580809980 931181652 /nfs/dbraw/zinc/18/16/52/931181652.db2.gz LCDOLMBCAOXUPU-UHFFFAOYSA-N 2 1 371.391 3.519 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000580895046 931309899 /nfs/dbraw/zinc/30/98/99/931309899.db2.gz PGDMEQATRLRSIZ-RXVVDRJESA-N 2 1 357.542 3.580 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000065976471 931672528 /nfs/dbraw/zinc/67/25/28/931672528.db2.gz PRTULJRZIYVYDW-UHFFFAOYSA-N 2 1 363.509 3.612 20 0 FHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456330 931763718 /nfs/dbraw/zinc/76/37/18/931763718.db2.gz ZCEMMALVIVIGSJ-GGAORHGYSA-N 2 1 373.504 3.502 20 0 FHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656456330 931763723 /nfs/dbraw/zinc/76/37/23/931763723.db2.gz ZCEMMALVIVIGSJ-GGAORHGYSA-N 2 1 373.504 3.502 20 0 FHADMP C[N@@H+](Cc1cn(C[C@@H]2CC[NH+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467926 931808140 /nfs/dbraw/zinc/80/81/40/931808140.db2.gz HCDDGHHPHUCLHZ-HXUWFJFHSA-N 2 1 367.541 3.565 20 0 FHADMP C[NH+](Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467926 931808146 /nfs/dbraw/zinc/80/81/46/931808146.db2.gz HCDDGHHPHUCLHZ-HXUWFJFHSA-N 2 1 367.541 3.565 20 0 FHADMP C[NH+](Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467926 931808152 /nfs/dbraw/zinc/80/81/52/931808152.db2.gz HCDDGHHPHUCLHZ-HXUWFJFHSA-N 2 1 367.541 3.565 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559198 931845098 /nfs/dbraw/zinc/84/50/98/931845098.db2.gz ZYZFBNVRRAVGRC-HKUYNNGSSA-N 2 1 351.494 3.741 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000581336822 931852571 /nfs/dbraw/zinc/85/25/71/931852571.db2.gz HNKKQDCLOBGONQ-FQUBMZHMSA-N 2 1 372.459 3.567 20 0 FHADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430565513 931885002 /nfs/dbraw/zinc/88/50/02/931885002.db2.gz AOXZQZSHHUMGFV-NRFANRHFSA-N 2 1 355.482 3.771 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574419 931918533 /nfs/dbraw/zinc/91/85/33/931918533.db2.gz SMYLCXQPKWXCLS-ZOBORPQBSA-N 2 1 372.340 3.618 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574419 931918542 /nfs/dbraw/zinc/91/85/42/931918542.db2.gz SMYLCXQPKWXCLS-ZOBORPQBSA-N 2 1 372.340 3.618 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574047 931924105 /nfs/dbraw/zinc/92/41/05/931924105.db2.gz SDACETHMSDYEPL-ROUUACIJSA-N 2 1 367.493 3.867 20 0 FHADMP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511703596 931924125 /nfs/dbraw/zinc/92/41/25/931924125.db2.gz RDJGUVGHFKEONR-IBGZPJMESA-N 2 1 367.537 3.779 20 0 FHADMP COCCCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092067005 932027347 /nfs/dbraw/zinc/02/73/47/932027347.db2.gz JUHUVTZMZWPAOA-DENIHFKCSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092067005 932027358 /nfs/dbraw/zinc/02/73/58/932027358.db2.gz JUHUVTZMZWPAOA-DENIHFKCSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092067005 932027369 /nfs/dbraw/zinc/02/73/69/932027369.db2.gz JUHUVTZMZWPAOA-DENIHFKCSA-N 2 1 358.526 3.551 20 0 FHADMP CCCn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000581444868 932084587 /nfs/dbraw/zinc/08/45/87/932084587.db2.gz QFUOWYJNZDWZSG-UHFFFAOYSA-N 2 1 352.526 3.781 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000276277159 932141812 /nfs/dbraw/zinc/14/18/12/932141812.db2.gz SUBKQJHBXAZVOE-HWWDLCQESA-N 2 1 362.468 3.604 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000276277159 932141813 /nfs/dbraw/zinc/14/18/13/932141813.db2.gz SUBKQJHBXAZVOE-HWWDLCQESA-N 2 1 362.468 3.604 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621869 932356585 /nfs/dbraw/zinc/35/65/85/932356585.db2.gz KSNWIHVQVYBVLF-LAUBAEHRSA-N 2 1 351.494 3.884 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621869 932356590 /nfs/dbraw/zinc/35/65/90/932356590.db2.gz KSNWIHVQVYBVLF-LAUBAEHRSA-N 2 1 351.494 3.884 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689569 932507477 /nfs/dbraw/zinc/50/74/77/932507477.db2.gz XMKORRXDFPTDBN-ZIAGYGMSSA-N 2 1 357.311 3.839 20 0 FHADMP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000581704348 932528540 /nfs/dbraw/zinc/52/85/40/932528540.db2.gz VYMXYFSIDZBFSO-UHFFFAOYSA-N 2 1 371.481 3.541 20 0 FHADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000684394291 932528707 /nfs/dbraw/zinc/52/87/07/932528707.db2.gz GWPLRPWCSOTRBH-KSEOMHKRSA-N 2 1 352.526 3.854 20 0 FHADMP CC[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000581782042 932670552 /nfs/dbraw/zinc/67/05/52/932670552.db2.gz OLOFEDMHBIFJQZ-NJDAHSKKSA-N 2 1 374.569 3.770 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000581840377 932718552 /nfs/dbraw/zinc/71/85/52/932718552.db2.gz GPIYAYOTNPANGS-QFBILLFUSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000581840377 932718556 /nfs/dbraw/zinc/71/85/56/932718556.db2.gz GPIYAYOTNPANGS-QFBILLFUSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000581840377 932718558 /nfs/dbraw/zinc/71/85/58/932718558.db2.gz GPIYAYOTNPANGS-QFBILLFUSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000581840377 932718561 /nfs/dbraw/zinc/71/85/61/932718561.db2.gz GPIYAYOTNPANGS-QFBILLFUSA-N 2 1 354.523 3.654 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581852340 932742631 /nfs/dbraw/zinc/74/26/31/932742631.db2.gz BEGUMMOTQXWCFE-FSPWUOQZSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000581852340 932742632 /nfs/dbraw/zinc/74/26/32/932742632.db2.gz BEGUMMOTQXWCFE-FSPWUOQZSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000581852340 932742641 /nfs/dbraw/zinc/74/26/41/932742641.db2.gz BEGUMMOTQXWCFE-FSPWUOQZSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000581852340 932742646 /nfs/dbraw/zinc/74/26/46/932742646.db2.gz BEGUMMOTQXWCFE-FSPWUOQZSA-N 2 1 356.432 3.543 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157635007 933001421 /nfs/dbraw/zinc/00/14/21/933001421.db2.gz LFAOFFYAYHSYQY-QGZVFWFLSA-N 2 1 365.512 3.738 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157635162 933001665 /nfs/dbraw/zinc/00/16/65/933001665.db2.gz LFAOFFYAYHSYQY-KRWDZBQOSA-N 2 1 365.512 3.738 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851119 933136827 /nfs/dbraw/zinc/13/68/27/933136827.db2.gz PDLRISLVZCWPRD-ZWKOTPCHSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851119 933136831 /nfs/dbraw/zinc/13/68/31/933136831.db2.gz PDLRISLVZCWPRD-ZWKOTPCHSA-N 2 1 366.465 3.502 20 0 FHADMP CCc1oc2ccccc2c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000581971022 933147021 /nfs/dbraw/zinc/14/70/21/933147021.db2.gz DZJCRJVNMVAYQO-DFNIBXOVSA-N 2 1 367.537 3.738 20 0 FHADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854960 933155230 /nfs/dbraw/zinc/15/52/30/933155230.db2.gz CPJUATWKYYOETQ-JTHBVZDNSA-N 2 1 365.521 3.817 20 0 FHADMP CC(C)N1CCc2nc(NC(=O)CC[N@@H+](C)C3CCCCC3)sc2C1 ZINC000548392996 933330529 /nfs/dbraw/zinc/33/05/29/933330529.db2.gz VNXWHDKZYTXXQQ-UHFFFAOYSA-N 2 1 364.559 3.503 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)CC[NH+](C)C3CCCCC3)sc2C1 ZINC000548392996 933330544 /nfs/dbraw/zinc/33/05/44/933330544.db2.gz VNXWHDKZYTXXQQ-UHFFFAOYSA-N 2 1 364.559 3.503 20 0 FHADMP CC(C)[N@H+]1CCc2nc(NC(=O)CC[NH+](C)C3CCCCC3)sc2C1 ZINC000548392996 933330558 /nfs/dbraw/zinc/33/05/58/933330558.db2.gz VNXWHDKZYTXXQQ-UHFFFAOYSA-N 2 1 364.559 3.503 20 0 FHADMP CC(C)[NH+]1CCc2nc(NC(=O)CC[N@H+](C)C3CCCCC3)sc2C1 ZINC000548392996 933330573 /nfs/dbraw/zinc/33/05/73/933330573.db2.gz VNXWHDKZYTXXQQ-UHFFFAOYSA-N 2 1 364.559 3.503 20 0 FHADMP CC(C)[NH+]1CCc2nc(NC(=O)CC[N@@H+](C)C3CCCCC3)sc2C1 ZINC000548392996 933330585 /nfs/dbraw/zinc/33/05/85/933330585.db2.gz VNXWHDKZYTXXQQ-UHFFFAOYSA-N 2 1 364.559 3.503 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650521 933355383 /nfs/dbraw/zinc/35/53/83/933355383.db2.gz KBQJCSJLIYINBK-DHIUTWEWSA-N 2 1 372.553 3.845 20 0 FHADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430936076 933440491 /nfs/dbraw/zinc/44/04/91/933440491.db2.gz WWDFKFIUIBEVLC-QGZVFWFLSA-N 2 1 367.493 3.737 20 0 FHADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000510751872 933632972 /nfs/dbraw/zinc/63/29/72/933632972.db2.gz MDTJNTRSIAEAIF-KRWDZBQOSA-N 2 1 374.475 3.908 20 0 FHADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000431042174 933739159 /nfs/dbraw/zinc/73/91/59/933739159.db2.gz DGRJQLYVDFLDAI-CEMLEFRQSA-N 2 1 371.569 3.666 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684556632 933881024 /nfs/dbraw/zinc/88/10/24/933881024.db2.gz BSJOJFAQEZFXGZ-MPJJRAAHSA-N 2 1 364.537 3.688 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588028 934099319 /nfs/dbraw/zinc/09/93/19/934099319.db2.gz QJNZNERGWCNCLN-LEWJYISDSA-N 2 1 371.569 3.610 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588028 934099327 /nfs/dbraw/zinc/09/93/27/934099327.db2.gz QJNZNERGWCNCLN-LEWJYISDSA-N 2 1 371.569 3.610 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588028 934099334 /nfs/dbraw/zinc/09/93/34/934099334.db2.gz QJNZNERGWCNCLN-LEWJYISDSA-N 2 1 371.569 3.610 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000092588028 934099344 /nfs/dbraw/zinc/09/93/44/934099344.db2.gz QJNZNERGWCNCLN-LEWJYISDSA-N 2 1 371.569 3.610 20 0 FHADMP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000092706367 934141096 /nfs/dbraw/zinc/14/10/96/934141096.db2.gz AJQIIXFLJKBVTF-NRFANRHFSA-N 2 1 373.585 3.629 20 0 FHADMP CC(C)C(=O)NC[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000092706367 934141098 /nfs/dbraw/zinc/14/10/98/934141098.db2.gz AJQIIXFLJKBVTF-NRFANRHFSA-N 2 1 373.585 3.629 20 0 FHADMP CC(C)C(=O)NC[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000092706367 934141099 /nfs/dbraw/zinc/14/10/99/934141099.db2.gz AJQIIXFLJKBVTF-NRFANRHFSA-N 2 1 373.585 3.629 20 0 FHADMP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548486843 934161429 /nfs/dbraw/zinc/16/14/29/934161429.db2.gz MZCKYFAPZYPKRL-AZUAARDMSA-N 2 1 362.521 3.616 20 0 FHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510976218 934245665 /nfs/dbraw/zinc/24/56/65/934245665.db2.gz FLLBKWSHTCKRKT-MJGOQNOKSA-N 2 1 360.542 3.997 20 0 FHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510976218 934245671 /nfs/dbraw/zinc/24/56/71/934245671.db2.gz FLLBKWSHTCKRKT-MJGOQNOKSA-N 2 1 360.542 3.997 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)n2)cc1F ZINC000277041904 934464587 /nfs/dbraw/zinc/46/45/87/934464587.db2.gz BVFGCYYMXMFQDR-QGZVFWFLSA-N 2 1 360.477 3.533 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1=CCCCCC1 ZINC000548497615 934518588 /nfs/dbraw/zinc/51/85/88/934518588.db2.gz VHIXLPVTIXKUSS-UHFFFAOYSA-N 2 1 361.574 3.532 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000180992519 934519755 /nfs/dbraw/zinc/51/97/55/934519755.db2.gz OKUWHXUORLDWSA-OAQYLSRUSA-N 2 1 362.473 3.803 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000180992519 934519761 /nfs/dbraw/zinc/51/97/61/934519761.db2.gz OKUWHXUORLDWSA-OAQYLSRUSA-N 2 1 362.473 3.803 20 0 FHADMP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181065264 934526908 /nfs/dbraw/zinc/52/69/08/934526908.db2.gz GKVHBLRLKFVXDK-BBWFWOEESA-N 2 1 357.498 3.710 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000236614992 934748976 /nfs/dbraw/zinc/74/89/76/934748976.db2.gz CWSYQTQJTPHZBJ-SFHVURJKSA-N 2 1 364.537 3.799 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2c1 ZINC000236614992 934748984 /nfs/dbraw/zinc/74/89/84/934748984.db2.gz CWSYQTQJTPHZBJ-SFHVURJKSA-N 2 1 364.537 3.799 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000511053900 935100176 /nfs/dbraw/zinc/10/01/76/935100176.db2.gz HIYWTQYROGZCMZ-SFHVURJKSA-N 2 1 357.542 3.665 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000511053900 935100178 /nfs/dbraw/zinc/10/01/78/935100178.db2.gz HIYWTQYROGZCMZ-SFHVURJKSA-N 2 1 357.542 3.665 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000511053900 935100181 /nfs/dbraw/zinc/10/01/81/935100181.db2.gz HIYWTQYROGZCMZ-SFHVURJKSA-N 2 1 357.542 3.665 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C(C)(C)C)CC1 ZINC001167543907 935186835 /nfs/dbraw/zinc/18/68/35/935186835.db2.gz GLWQOENRMVOXRI-NRFANRHFSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)CC1 ZINC001167543907 935186836 /nfs/dbraw/zinc/18/68/36/935186836.db2.gz GLWQOENRMVOXRI-NRFANRHFSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)CC1 ZINC001167543907 935186838 /nfs/dbraw/zinc/18/68/38/935186838.db2.gz GLWQOENRMVOXRI-NRFANRHFSA-N 2 1 371.569 3.540 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4ccncc4s3)c2)CCO1 ZINC000657328627 935230897 /nfs/dbraw/zinc/23/08/97/935230897.db2.gz BYVQPHHYEFKYES-INIZCTEOSA-N 2 1 367.518 3.807 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4ccncc4s3)c2)CCO1 ZINC000657328627 935230899 /nfs/dbraw/zinc/23/08/99/935230899.db2.gz BYVQPHHYEFKYES-INIZCTEOSA-N 2 1 367.518 3.807 20 0 FHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000563245641 935250071 /nfs/dbraw/zinc/25/00/71/935250071.db2.gz VQEAWCLNCUWIJS-FPOVZHCZSA-N 2 1 354.494 3.671 20 0 FHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000563245641 935250074 /nfs/dbraw/zinc/25/00/74/935250074.db2.gz VQEAWCLNCUWIJS-FPOVZHCZSA-N 2 1 354.494 3.671 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657338723 935273219 /nfs/dbraw/zinc/27/32/19/935273219.db2.gz TVTSUVVAWNIQBN-CYBMUJFWSA-N 2 1 372.460 3.502 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657338723 935273225 /nfs/dbraw/zinc/27/32/25/935273225.db2.gz TVTSUVVAWNIQBN-CYBMUJFWSA-N 2 1 372.460 3.502 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000516653567 945100238 /nfs/dbraw/zinc/10/02/38/945100238.db2.gz KEKMKVURZDKNOX-LJQANCHMSA-N 2 1 363.590 3.789 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657374419 935455752 /nfs/dbraw/zinc/45/57/52/935455752.db2.gz KOSRHNDYXLRTMB-BLLLJJGKSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657374419 935455754 /nfs/dbraw/zinc/45/57/54/935455754.db2.gz KOSRHNDYXLRTMB-BLLLJJGKSA-N 2 1 372.460 3.673 20 0 FHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)CC[N@@H+](C)C3CCCCC3)cccc21 ZINC000548720587 935481658 /nfs/dbraw/zinc/48/16/58/935481658.db2.gz LVULOZVUIUYDCA-IBGZPJMESA-N 2 1 359.514 3.665 20 0 FHADMP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000647248733 935554336 /nfs/dbraw/zinc/55/43/36/935554336.db2.gz YBJGLYSPRNYXOR-UXHICEINSA-N 2 1 354.494 3.529 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](CC)CN1C(C)=O ZINC001167568490 935599750 /nfs/dbraw/zinc/59/97/50/935599750.db2.gz UECBRZBCVVMZHC-GOTSBHOMSA-N 2 1 371.569 3.894 20 0 FHADMP C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2ccccc2o1 ZINC000582410636 935664304 /nfs/dbraw/zinc/66/43/04/935664304.db2.gz MXYJZANBMPKUIE-HZPDHXFCSA-N 2 1 369.509 3.605 20 0 FHADMP CCC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582429029 935688513 /nfs/dbraw/zinc/68/85/13/935688513.db2.gz HWKVJDYMLCAFLJ-GHTZIAJQSA-N 2 1 363.590 3.610 20 0 FHADMP CCc1cccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000657433437 935725728 /nfs/dbraw/zinc/72/57/28/935725728.db2.gz XCCJPSQXHDFGTK-NRFANRHFSA-N 2 1 364.489 3.852 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000509566867 945121260 /nfs/dbraw/zinc/12/12/60/945121260.db2.gz AXROSCONRZAROG-LEWJYISDSA-N 2 1 364.537 3.942 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000509566867 945121265 /nfs/dbraw/zinc/12/12/65/945121265.db2.gz AXROSCONRZAROG-LEWJYISDSA-N 2 1 364.537 3.942 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCCO1 ZINC000657448978 935794236 /nfs/dbraw/zinc/79/42/36/935794236.db2.gz OXMZICJRCVTAIU-QGZVFWFLSA-N 2 1 373.472 3.604 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCCO1 ZINC000657448978 935794242 /nfs/dbraw/zinc/79/42/42/935794242.db2.gz OXMZICJRCVTAIU-QGZVFWFLSA-N 2 1 373.472 3.604 20 0 FHADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000657452842 935809757 /nfs/dbraw/zinc/80/97/57/935809757.db2.gz KPDBLYTUOPFTSC-SIKLNZKXSA-N 2 1 368.521 3.712 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657469077 935832889 /nfs/dbraw/zinc/83/28/89/935832889.db2.gz FPSRPMLSDXWYSV-LJQANCHMSA-N 2 1 352.526 3.689 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657469077 935832892 /nfs/dbraw/zinc/83/28/92/935832892.db2.gz FPSRPMLSDXWYSV-LJQANCHMSA-N 2 1 352.526 3.689 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000413505578 935862856 /nfs/dbraw/zinc/86/28/56/935862856.db2.gz VBCQAQBQMYXMHY-WIYYLYMNSA-N 2 1 357.542 3.617 20 0 FHADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1c(F)cccc1F ZINC000051793737 935881948 /nfs/dbraw/zinc/88/19/48/935881948.db2.gz CPQJLFPWXASTNO-IBGZPJMESA-N 2 1 352.469 3.586 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)C[C@H](C)O1 ZINC000582646449 935905352 /nfs/dbraw/zinc/90/53/52/935905352.db2.gz GUHKQDGZXBSNSA-CALCHBBNSA-N 2 1 365.477 3.727 20 0 FHADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000582648418 935906376 /nfs/dbraw/zinc/90/63/76/935906376.db2.gz RQPSVNWKLUMSCQ-RXVVDRJESA-N 2 1 368.521 3.889 20 0 FHADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000582648418 935906379 /nfs/dbraw/zinc/90/63/79/935906379.db2.gz RQPSVNWKLUMSCQ-RXVVDRJESA-N 2 1 368.521 3.889 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@@H]2CCC[C@@H]21 ZINC000582658208 935915893 /nfs/dbraw/zinc/91/58/93/935915893.db2.gz UIZFHEICEBGZEF-UVBJJODRSA-N 2 1 359.258 3.690 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@@H]2CCC[C@@H]21 ZINC000582658208 935915897 /nfs/dbraw/zinc/91/58/97/935915897.db2.gz UIZFHEICEBGZEF-UVBJJODRSA-N 2 1 359.258 3.690 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3noc4ccccc43)CC2)cc1 ZINC000657533288 935966253 /nfs/dbraw/zinc/96/62/53/935966253.db2.gz KHPAJTBGNAXDTE-UHFFFAOYSA-N 2 1 367.468 3.806 20 0 FHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000075675903 936014834 /nfs/dbraw/zinc/01/48/34/936014834.db2.gz KMMFQQDWAMRXPJ-UHFFFAOYSA-N 2 1 369.509 3.584 20 0 FHADMP c1csc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000075834625 936020277 /nfs/dbraw/zinc/02/02/77/936020277.db2.gz DVVIDXZIQNWHFG-INIZCTEOSA-N 2 1 360.527 3.539 20 0 FHADMP c1csc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000075834625 936020281 /nfs/dbraw/zinc/02/02/81/936020281.db2.gz DVVIDXZIQNWHFG-INIZCTEOSA-N 2 1 360.527 3.539 20 0 FHADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000075835734 936020499 /nfs/dbraw/zinc/02/04/99/936020499.db2.gz UDBAMKBRTCQCLW-KRWDZBQOSA-N 2 1 356.466 3.527 20 0 FHADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000075835734 936020501 /nfs/dbraw/zinc/02/05/01/936020501.db2.gz UDBAMKBRTCQCLW-KRWDZBQOSA-N 2 1 356.466 3.527 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cc2)C1 ZINC000657597533 936072519 /nfs/dbraw/zinc/07/25/19/936072519.db2.gz UHVRJEAVNAAAAG-OAHLLOKOSA-N 2 1 371.333 3.911 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)sc3Cl)cc2)C1 ZINC000657597533 936072524 /nfs/dbraw/zinc/07/25/24/936072524.db2.gz UHVRJEAVNAAAAG-OAHLLOKOSA-N 2 1 371.333 3.911 20 0 FHADMP CCSc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597020 936073166 /nfs/dbraw/zinc/07/31/66/936073166.db2.gz QRWDLYWYVFHWKV-FQEVSTJZSA-N 2 1 356.535 3.655 20 0 FHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000672618768 936087233 /nfs/dbraw/zinc/08/72/33/936087233.db2.gz BWIMYTPIWHIOKX-LJQANCHMSA-N 2 1 358.913 3.670 20 0 FHADMP CC(C)Sc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000511195537 936100055 /nfs/dbraw/zinc/10/00/55/936100055.db2.gz DDEWFZWFCJXDHJ-RXVVDRJESA-N 2 1 361.599 3.645 20 0 FHADMP CC(C)Sc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000511195537 936100060 /nfs/dbraw/zinc/10/00/60/936100060.db2.gz DDEWFZWFCJXDHJ-RXVVDRJESA-N 2 1 361.599 3.645 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264206 936154130 /nfs/dbraw/zinc/15/41/30/936154130.db2.gz VBFAHGSYHMGMOZ-IEBWSBKVSA-N 2 1 372.513 3.539 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264206 936154134 /nfs/dbraw/zinc/15/41/34/936154134.db2.gz VBFAHGSYHMGMOZ-IEBWSBKVSA-N 2 1 372.513 3.539 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294702554 945148475 /nfs/dbraw/zinc/14/84/75/945148475.db2.gz BJVMLYIMPRPHNL-AVOUXACISA-N 2 1 369.431 3.637 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582840086 936206052 /nfs/dbraw/zinc/20/60/52/936206052.db2.gz DGHYZTZLNCAZAO-OAHLLOKOSA-N 2 1 353.457 3.538 20 0 FHADMP COCC[C@H](c1ccccc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536034201 938261851 /nfs/dbraw/zinc/26/18/51/938261851.db2.gz BJEOGMJFEAZLOS-XQBPLPMBSA-N 2 1 360.542 3.585 20 0 FHADMP c1[nH+]c(C2CC[NH+](CCN3CCCc4ccccc43)CC2)n2c1CCCC2 ZINC000516704821 945161861 /nfs/dbraw/zinc/16/18/61/945161861.db2.gz ZSJHXBMDZXSMPK-UHFFFAOYSA-N 2 1 364.537 3.852 20 0 FHADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCc1ccccc1 ZINC000583500439 938281812 /nfs/dbraw/zinc/28/18/12/938281812.db2.gz WZLDHSDBJAEHTN-OYRHEFFESA-N 2 1 366.505 3.706 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706124 938285151 /nfs/dbraw/zinc/28/51/51/938285151.db2.gz DRCFECWOAAZQDI-SRCQZFHVSA-N 2 1 374.859 3.660 20 0 FHADMP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706740 938286605 /nfs/dbraw/zinc/28/66/05/938286605.db2.gz RRCCFQPOLNMRHN-BJLQDIEVSA-N 2 1 371.550 3.837 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C2 ZINC000650709931 938291109 /nfs/dbraw/zinc/29/11/09/938291109.db2.gz XXCUVDPVZAMCJW-RXVVDRJESA-N 2 1 371.912 3.875 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C2 ZINC000650709931 938291110 /nfs/dbraw/zinc/29/11/10/938291110.db2.gz XXCUVDPVZAMCJW-RXVVDRJESA-N 2 1 371.912 3.875 20 0 FHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708777 938291340 /nfs/dbraw/zinc/29/13/40/938291340.db2.gz MDIKRDUZWPNUKB-YDHLFZDLSA-N 2 1 373.360 3.537 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(F)(F)F ZINC000650708958 938291821 /nfs/dbraw/zinc/29/18/21/938291821.db2.gz WRUNFOGSDIEFOQ-BQFCYCMXSA-N 2 1 356.432 3.732 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)[C@H]1CC[NH3+] ZINC000650711482 938295731 /nfs/dbraw/zinc/29/57/31/938295731.db2.gz VGCNOIIYJPWUTR-DOMZBBRYSA-N 2 1 354.420 3.541 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)[C@H]1CC[NH3+] ZINC000650711482 938295733 /nfs/dbraw/zinc/29/57/33/938295733.db2.gz VGCNOIIYJPWUTR-DOMZBBRYSA-N 2 1 354.420 3.541 20 0 FHADMP Cc1nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)sc1C ZINC000151043867 938301703 /nfs/dbraw/zinc/30/17/03/938301703.db2.gz CTHHXBMYHFXTPM-UHFFFAOYSA-N 2 1 358.555 3.580 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1)C1CCOCC1 ZINC000448074376 938303396 /nfs/dbraw/zinc/30/33/96/938303396.db2.gz MBTIDUPWRUMNOQ-UHFFFAOYSA-N 2 1 358.526 3.599 20 0 FHADMP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299427 938307872 /nfs/dbraw/zinc/30/78/72/938307872.db2.gz GJIZDGCCBSMKTC-XZOQPEGZSA-N 2 1 367.537 3.915 20 0 FHADMP CC(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722407 938309601 /nfs/dbraw/zinc/30/96/01/938309601.db2.gz RYXIFIILWLYYQE-CEMLEFRQSA-N 2 1 360.542 3.972 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000650722294 938309649 /nfs/dbraw/zinc/30/96/49/938309649.db2.gz OSYWSZULCVSJIM-VMRPVKRXSA-N 2 1 358.457 3.947 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3cccs3)s2)C1 ZINC000650723903 938311119 /nfs/dbraw/zinc/31/11/19/938311119.db2.gz VSXDZPHHMQAOQU-BMFZPTHFSA-N 2 1 363.552 3.732 20 0 FHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc2ccccc2c1 ZINC000728572251 938327291 /nfs/dbraw/zinc/32/72/91/938327291.db2.gz VNDCUEYYUXLCIG-UHFFFAOYSA-N 2 1 351.494 3.586 20 0 FHADMP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246294344 938355728 /nfs/dbraw/zinc/35/57/28/938355728.db2.gz NMNVEKVKIBHIOM-XMGTWHOFSA-N 2 1 371.569 3.524 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4Cc5cc(F)ccc5[C@@H]43)CC2)cc1 ZINC000657789417 938385417 /nfs/dbraw/zinc/38/54/17/938385417.db2.gz PVQZZBKPYDAXPG-XPWALMASSA-N 2 1 368.471 3.900 20 0 FHADMP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(C(F)(F)F)c1 ZINC000650753917 938407307 /nfs/dbraw/zinc/40/73/07/938407307.db2.gz YIAYFZYBPOZUJH-QGZVFWFLSA-N 2 1 356.363 3.781 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000080573297 938486369 /nfs/dbraw/zinc/48/63/69/938486369.db2.gz JGMDSOPIXHYLBT-AZUAARDMSA-N 2 1 366.509 3.868 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000080573297 938486371 /nfs/dbraw/zinc/48/63/71/938486371.db2.gz JGMDSOPIXHYLBT-AZUAARDMSA-N 2 1 366.509 3.868 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538273 945180171 /nfs/dbraw/zinc/18/01/71/945180171.db2.gz NSGKJOWLLBLZDS-KURKYZTESA-N 2 1 358.448 3.632 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)C[C@@H](C)O1 ZINC000060368547 945181381 /nfs/dbraw/zinc/18/13/81/945181381.db2.gz VNLCEYBWTFFUIS-HUUCEWRRSA-N 2 1 354.897 3.800 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000584003646 938533113 /nfs/dbraw/zinc/53/31/13/938533113.db2.gz LFXZFPQUXWKYBL-SFHVURJKSA-N 2 1 365.606 3.761 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657815238 938534046 /nfs/dbraw/zinc/53/40/46/938534046.db2.gz NOHQBCKICKJCLR-AUSIDOKSSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657815238 938534048 /nfs/dbraw/zinc/53/40/48/938534048.db2.gz NOHQBCKICKJCLR-AUSIDOKSSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819126 938553135 /nfs/dbraw/zinc/55/31/35/938553135.db2.gz QBFDWICKZYMIFX-BWAGFHJFSA-N 2 1 350.506 3.895 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819126 938553136 /nfs/dbraw/zinc/55/31/36/938553136.db2.gz QBFDWICKZYMIFX-BWAGFHJFSA-N 2 1 350.506 3.895 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(OC)cc2F)CC1 ZINC000584177124 938629898 /nfs/dbraw/zinc/62/98/98/938629898.db2.gz KTDLCBUFYKUEFX-UHFFFAOYSA-N 2 1 352.494 3.787 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657834764 938632544 /nfs/dbraw/zinc/63/25/44/938632544.db2.gz BJGKGHFQXSUTSF-WMZHIEFXSA-N 2 1 374.569 3.840 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657836480 938645368 /nfs/dbraw/zinc/64/53/68/938645368.db2.gz UTCUYCNIDMMGCD-NVXWUHKLSA-N 2 1 351.332 3.844 20 0 FHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836878 938660085 /nfs/dbraw/zinc/66/00/85/938660085.db2.gz XATMJGQNOQGKPV-FUHWJXTLSA-N 2 1 353.501 3.635 20 0 FHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000584289837 938672170 /nfs/dbraw/zinc/67/21/70/938672170.db2.gz LUVMRGSWTAOCLH-ICSRJNTNSA-N 2 1 365.521 3.691 20 0 FHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000657849618 938714232 /nfs/dbraw/zinc/71/42/32/938714232.db2.gz KIMUXTYYAIURPX-QGZVFWFLSA-N 2 1 358.448 3.727 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657847279 938715419 /nfs/dbraw/zinc/71/54/19/938715419.db2.gz TXVGHMVVNWPUDN-ICSRJNTNSA-N 2 1 350.934 3.803 20 0 FHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@]12CCCO2 ZINC000562838737 938831287 /nfs/dbraw/zinc/83/12/87/938831287.db2.gz NJAMZGKCTYWSFQ-FDTLVRFQSA-N 2 1 372.553 3.746 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000584426376 938860336 /nfs/dbraw/zinc/86/03/36/938860336.db2.gz NGJBTBTUPJZZMX-ZLNRFVROSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000584426376 938860339 /nfs/dbraw/zinc/86/03/39/938860339.db2.gz NGJBTBTUPJZZMX-ZLNRFVROSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000584426376 938860344 /nfs/dbraw/zinc/86/03/44/938860344.db2.gz NGJBTBTUPJZZMX-ZLNRFVROSA-N 3 1 367.537 3.874 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708551215 938917913 /nfs/dbraw/zinc/91/79/13/938917913.db2.gz JTLILWLUWBEJNS-XLIONFOSSA-N 2 1 354.494 3.562 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000708551215 938917914 /nfs/dbraw/zinc/91/79/14/938917914.db2.gz JTLILWLUWBEJNS-XLIONFOSSA-N 2 1 354.494 3.562 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccccc2Br)CC1 ZINC000093788737 938930103 /nfs/dbraw/zinc/93/01/03/938930103.db2.gz HMQYGVJZTWLTFV-UHFFFAOYSA-N 2 1 355.320 3.633 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccccc2Br)CC1 ZINC000093788737 938930104 /nfs/dbraw/zinc/93/01/04/938930104.db2.gz HMQYGVJZTWLTFV-UHFFFAOYSA-N 2 1 355.320 3.633 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000093844559 938930917 /nfs/dbraw/zinc/93/09/17/938930917.db2.gz WZJVLVWZOVHTCI-INIZCTEOSA-N 2 1 350.576 3.686 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657884614 938971816 /nfs/dbraw/zinc/97/18/16/938971816.db2.gz WZBDIHAUVQEYSP-UXLLHSPISA-N 2 1 355.473 3.807 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657884614 938971817 /nfs/dbraw/zinc/97/18/17/938971817.db2.gz WZBDIHAUVQEYSP-UXLLHSPISA-N 2 1 355.473 3.807 20 0 FHADMP Cn1cnc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443099 938986906 /nfs/dbraw/zinc/98/69/06/938986906.db2.gz WOUGZRVUKGGKKH-HSZRJFAPSA-N 2 1 360.505 3.671 20 0 FHADMP Cn1cnc2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443099 938986907 /nfs/dbraw/zinc/98/69/07/938986907.db2.gz WOUGZRVUKGGKKH-HSZRJFAPSA-N 2 1 360.505 3.671 20 0 FHADMP Cn1cnc2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443099 938986908 /nfs/dbraw/zinc/98/69/08/938986908.db2.gz WOUGZRVUKGGKKH-HSZRJFAPSA-N 2 1 360.505 3.671 20 0 FHADMP Cn1cnc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000685443099 938986909 /nfs/dbraw/zinc/98/69/09/938986909.db2.gz WOUGZRVUKGGKKH-HSZRJFAPSA-N 2 1 360.505 3.671 20 0 FHADMP CCc1oc2ccccc2c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457841 938988017 /nfs/dbraw/zinc/98/80/17/938988017.db2.gz PRTRVBVOQVPVDN-GOSISDBHSA-N 2 1 355.526 3.596 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000685464199 938988804 /nfs/dbraw/zinc/98/88/04/938988804.db2.gz DJWWQWHBGAHNII-YADHBBJMSA-N 2 1 372.553 3.800 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563117 938991564 /nfs/dbraw/zinc/99/15/64/938991564.db2.gz USDXXKGDBJWUTG-ZVDOUQERSA-N 2 1 365.521 3.761 20 0 FHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431611922 939000573 /nfs/dbraw/zinc/00/05/73/939000573.db2.gz XPMFAYDGFRNOHN-QFIPXVFZSA-N 2 1 369.553 3.696 20 0 FHADMP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000309684724 939010082 /nfs/dbraw/zinc/01/00/82/939010082.db2.gz FIOKCHZLZJLIEQ-SFHVURJKSA-N 2 1 361.530 3.544 20 0 FHADMP c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657970838 939013658 /nfs/dbraw/zinc/01/36/58/939013658.db2.gz HXGMJNNQLOATLP-JSXRDJHFSA-N 2 1 350.510 3.608 20 0 FHADMP Fc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000093735101 939016415 /nfs/dbraw/zinc/01/64/15/939016415.db2.gz GUCNCHVNIRCMSX-UHFFFAOYSA-N 2 1 374.422 3.921 20 0 FHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658141469 939035032 /nfs/dbraw/zinc/03/50/32/939035032.db2.gz XDNUBMYIIXJVSE-GGAORHGYSA-N 2 1 350.506 3.729 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141276 939035470 /nfs/dbraw/zinc/03/54/70/939035470.db2.gz SKTBIFSBCSDIKZ-KSSFIOAISA-N 2 1 362.876 3.897 20 0 FHADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137378 939041086 /nfs/dbraw/zinc/04/10/86/939041086.db2.gz GNMCBWBTJLJDSS-DNVCBOLYSA-N 2 1 373.566 3.992 20 0 FHADMP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137447 939041357 /nfs/dbraw/zinc/04/13/57/939041357.db2.gz GVCVSBPXOFDJLN-VGOFRKELSA-N 2 1 356.485 3.503 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138182 939042507 /nfs/dbraw/zinc/04/25/07/939042507.db2.gz NBAMUEHAGXGIGX-HNAYVOBHSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139551 939042747 /nfs/dbraw/zinc/04/27/47/939042747.db2.gz MZGHPBGPDPLBCK-HNAYVOBHSA-N 2 1 367.518 3.714 20 0 FHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140836 939043302 /nfs/dbraw/zinc/04/33/02/939043302.db2.gz RDWXIKJZZDGBPP-KGVIQGDOSA-N 2 1 368.521 3.544 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658212124 939064589 /nfs/dbraw/zinc/06/45/89/939064589.db2.gz IYUBZDUSKJZNNU-UHFFFAOYSA-N 2 1 352.526 3.830 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658211179 939064824 /nfs/dbraw/zinc/06/48/24/939064824.db2.gz CYIJTNIGRJZZCD-OWZKRDHZSA-N 2 1 350.510 3.583 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658211179 939064828 /nfs/dbraw/zinc/06/48/28/939064828.db2.gz CYIJTNIGRJZZCD-OWZKRDHZSA-N 2 1 350.510 3.583 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658212238 939065368 /nfs/dbraw/zinc/06/53/68/939065368.db2.gz JMYWYTOTBDGFJH-BAGYTPMASA-N 2 1 364.537 3.688 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658212797 939076852 /nfs/dbraw/zinc/07/68/52/939076852.db2.gz MFIUVWXXFKZVPC-CEMLEFRQSA-N 2 1 364.537 3.830 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658212797 939076858 /nfs/dbraw/zinc/07/68/58/939076858.db2.gz MFIUVWXXFKZVPC-CEMLEFRQSA-N 2 1 364.537 3.830 20 0 FHADMP CC(C)[C@@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658289268 939098792 /nfs/dbraw/zinc/09/87/92/939098792.db2.gz YPWVLUDQAWVCLQ-XZOQPEGZSA-N 2 1 352.522 3.999 20 0 FHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316996 939109977 /nfs/dbraw/zinc/10/99/77/939109977.db2.gz HZJNPHGFUYDNCP-VXKWHMMOSA-N 2 1 366.553 3.800 20 0 FHADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366510 939133665 /nfs/dbraw/zinc/13/36/65/939133665.db2.gz RNDRSPWZRHFIQR-FYYLOGMGSA-N 2 1 365.521 3.817 20 0 FHADMP COCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000892466594 939215045 /nfs/dbraw/zinc/21/50/45/939215045.db2.gz DBIBQVRCNGRWLL-UHFFFAOYSA-N 2 1 358.482 3.581 20 0 FHADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177193 940422778 /nfs/dbraw/zinc/42/27/78/940422778.db2.gz GAURJKXEJGGWFR-HSZRJFAPSA-N 2 1 365.521 3.592 20 0 FHADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981452 940427222 /nfs/dbraw/zinc/42/72/22/940427222.db2.gz TWDKLOHYCLJLPO-LJQANCHMSA-N 2 1 354.542 3.853 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414072545 940480299 /nfs/dbraw/zinc/48/02/99/940480299.db2.gz MQYDGHZAUCQOCR-PKOBYXMFSA-N 2 1 350.934 3.803 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082907 940486561 /nfs/dbraw/zinc/48/65/61/940486561.db2.gz FYVPQQPZKKLUDT-AEFFLSMTSA-N 2 1 359.539 3.698 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122357 940619010 /nfs/dbraw/zinc/61/90/10/940619010.db2.gz NWHUSYSQSFIEIR-CTNGQTDRSA-N 2 1 363.977 3.983 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000613492372 940775094 /nfs/dbraw/zinc/77/50/94/940775094.db2.gz KEIHIYSYKPIMRJ-UHFFFAOYSA-N 2 1 359.558 3.872 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000892584953 940852264 /nfs/dbraw/zinc/85/22/64/940852264.db2.gz QAFHAHMEFFQJPC-OKZBNKHCSA-N 2 1 353.551 3.534 20 0 FHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414311336 940942539 /nfs/dbraw/zinc/94/25/39/940942539.db2.gz MNSGTFKIJSFBJW-HDICACEKSA-N 2 1 352.526 3.807 20 0 FHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414311336 940942541 /nfs/dbraw/zinc/94/25/41/940942541.db2.gz MNSGTFKIJSFBJW-HDICACEKSA-N 2 1 352.526 3.807 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(Br)cc3cccnc31)C2 ZINC000660660565 945363001 /nfs/dbraw/zinc/36/30/01/945363001.db2.gz XBNNGIBPTHAIDW-IBGZPJMESA-N 2 1 374.326 3.915 20 0 FHADMP Cc1ccc(-c2noc(CCCN3CCC[C@@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000660659735 945364000 /nfs/dbraw/zinc/36/40/00/945364000.db2.gz QJZNWDKVSSXGQL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)n2)cc1F ZINC000660659735 945364006 /nfs/dbraw/zinc/36/40/06/945364006.db2.gz QJZNWDKVSSXGQL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000660659735 945364016 /nfs/dbraw/zinc/36/40/16/945364016.db2.gz QJZNWDKVSSXGQL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000660659735 945364029 /nfs/dbraw/zinc/36/40/29/945364029.db2.gz QJZNWDKVSSXGQL-NRFANRHFSA-N 2 1 372.488 3.534 20 0 FHADMP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000658982369 940970122 /nfs/dbraw/zinc/97/01/22/940970122.db2.gz PEORLCIUYDTGAX-LJQANCHMSA-N 2 1 360.546 3.946 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316195 941012014 /nfs/dbraw/zinc/01/20/14/941012014.db2.gz LJVWDGMAVIMFHI-SFHVURJKSA-N 2 1 370.368 3.988 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316177 941012193 /nfs/dbraw/zinc/01/21/93/941012193.db2.gz LJVWDGMAVIMFHI-GOSISDBHSA-N 2 1 370.368 3.988 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000376456107 941046262 /nfs/dbraw/zinc/04/62/62/941046262.db2.gz VHDYBUFAWWNLFV-QGZVFWFLSA-N 2 1 374.554 3.583 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000376456107 941046264 /nfs/dbraw/zinc/04/62/64/941046264.db2.gz VHDYBUFAWWNLFV-QGZVFWFLSA-N 2 1 374.554 3.583 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542972 941062507 /nfs/dbraw/zinc/06/25/07/941062507.db2.gz FLNHUSHSWDKFCR-ZWKOTPCHSA-N 2 1 371.550 3.934 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000187804269 941126626 /nfs/dbraw/zinc/12/66/26/941126626.db2.gz DOKZBMCIMNYTEA-JOCHJYFZSA-N 2 1 355.501 3.814 20 0 FHADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479501 941128474 /nfs/dbraw/zinc/12/84/74/941128474.db2.gz RQZGGHQPXBOLEY-PGRDOPGGSA-N 2 1 365.521 3.531 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1)C1CC1 ZINC000511512934 941145991 /nfs/dbraw/zinc/14/59/91/941145991.db2.gz NGBYNOJGJRMDKO-JOCHJYFZSA-N 2 1 365.521 3.704 20 0 FHADMP CC(C)(C)c1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000311414831 941288049 /nfs/dbraw/zinc/28/80/49/941288049.db2.gz CWOITTWHRYLGQX-QFIPXVFZSA-N 2 1 352.526 3.776 20 0 FHADMP CC(C)(C)c1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000311414831 941288054 /nfs/dbraw/zinc/28/80/54/941288054.db2.gz CWOITTWHRYLGQX-QFIPXVFZSA-N 2 1 352.526 3.776 20 0 FHADMP COC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CCOCC1 ZINC000188046838 941298912 /nfs/dbraw/zinc/29/89/12/941298912.db2.gz QCBUDAPYPFMHIA-RXVVDRJESA-N 2 1 360.542 3.681 20 0 FHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1O ZINC000178801483 941306494 /nfs/dbraw/zinc/30/64/94/941306494.db2.gz JULUMYQFNRFNOJ-IHWFROFDSA-N 2 1 352.478 3.686 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000311697183 941360568 /nfs/dbraw/zinc/36/05/68/941360568.db2.gz TZXZOTAPHXHKOZ-QUCCMNQESA-N 2 1 353.510 3.707 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000311697183 941360571 /nfs/dbraw/zinc/36/05/71/941360571.db2.gz TZXZOTAPHXHKOZ-QUCCMNQESA-N 2 1 353.510 3.707 20 0 FHADMP [NH3+]C1(c2noc([C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)n2)CCCC1 ZINC000414628425 941418919 /nfs/dbraw/zinc/41/89/19/941418919.db2.gz OIUQQDCRMOGOHS-OAHLLOKOSA-N 2 1 355.486 3.772 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C)[C@H]3c3cccs3)c(C)n2n1 ZINC000376804982 941435431 /nfs/dbraw/zinc/43/54/31/941435431.db2.gz APWRINSIJMKPFJ-YYFZDKIDSA-N 2 1 369.538 3.751 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C)[C@H]3c3cccs3)c(C)n2n1 ZINC000376804982 941435434 /nfs/dbraw/zinc/43/54/34/941435434.db2.gz APWRINSIJMKPFJ-YYFZDKIDSA-N 2 1 369.538 3.751 20 0 FHADMP c1ccc(CC[C@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052884 941567998 /nfs/dbraw/zinc/56/79/98/941567998.db2.gz LWFHTVXRBVCIRP-WYZYGFAWSA-N 2 1 355.570 3.594 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000549169825 941572328 /nfs/dbraw/zinc/57/23/28/941572328.db2.gz CQYCHSYWNFSNRD-AWEZNQCLSA-N 2 1 365.315 3.545 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056572 941576241 /nfs/dbraw/zinc/57/62/41/941576241.db2.gz SKNQGOMKDQCUDS-CTNGQTDRSA-N 2 1 350.510 3.814 20 0 FHADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415078272 941587781 /nfs/dbraw/zinc/58/77/81/941587781.db2.gz GHOFUZHCDVKFPZ-RTWAWAEBSA-N 2 1 365.521 3.747 20 0 FHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000415130112 941623433 /nfs/dbraw/zinc/62/34/33/941623433.db2.gz QKQZFTPZOSWTAH-DLBZAZTESA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)C1 ZINC000415131043 941623838 /nfs/dbraw/zinc/62/38/38/941623838.db2.gz YITIFGJBHDHBSL-RDJZCZTQSA-N 2 1 360.395 3.563 20 0 FHADMP CCCCc1oc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415131127 941623856 /nfs/dbraw/zinc/62/38/56/941623856.db2.gz SBWPAAWBFHDNJA-KRWDZBQOSA-N 2 1 367.497 3.663 20 0 FHADMP NC1(C[NH2+]Cc2ccc(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415136768 941626221 /nfs/dbraw/zinc/62/62/21/941626221.db2.gz RXENYUNRPSAQLK-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000415174711 941650327 /nfs/dbraw/zinc/65/03/27/941650327.db2.gz DNMNRXSKBFVTFB-HOTGVXAUSA-N 2 1 368.481 3.744 20 0 FHADMP Cc1cn2cc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)ccc2n1 ZINC000472751397 941679696 /nfs/dbraw/zinc/67/96/96/941679696.db2.gz NSAJQKPMIKUWJJ-QGZVFWFLSA-N 2 1 365.481 3.675 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235786 941693384 /nfs/dbraw/zinc/69/33/84/941693384.db2.gz NSQQVKNOICEWLJ-PIAWWSJMSA-N 2 1 364.533 3.651 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235786 941693387 /nfs/dbraw/zinc/69/33/87/941693387.db2.gz NSQQVKNOICEWLJ-PIAWWSJMSA-N 2 1 364.533 3.651 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000892937979 941716300 /nfs/dbraw/zinc/71/63/00/941716300.db2.gz KAMCGWSJIYICKJ-UHFFFAOYSA-N 2 1 357.445 3.989 20 0 FHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000549246444 941736121 /nfs/dbraw/zinc/73/61/21/941736121.db2.gz XFVOFAYIUFIMNF-HDICACEKSA-N 2 1 369.557 3.732 20 0 FHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000513216609 941786511 /nfs/dbraw/zinc/78/65/11/941786511.db2.gz FXUDTPAWMLHOEO-INIZCTEOSA-N 2 1 350.576 3.602 20 0 FHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000513216609 941786514 /nfs/dbraw/zinc/78/65/14/941786514.db2.gz FXUDTPAWMLHOEO-INIZCTEOSA-N 2 1 350.576 3.602 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000167708921 941843159 /nfs/dbraw/zinc/84/31/59/941843159.db2.gz YOEFSLOFNNSYPK-APWZRJJASA-N 2 1 361.530 3.896 20 0 FHADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337145 941859603 /nfs/dbraw/zinc/85/96/03/941859603.db2.gz CSMUTGXSTDGPJV-FQEVSTJZSA-N 2 1 360.505 3.699 20 0 FHADMP Cn1nccc1-c1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000513349000 941860497 /nfs/dbraw/zinc/86/04/97/941860497.db2.gz ZPDATCBTNGWHGT-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP Cn1nccc1-c1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000513349000 941860500 /nfs/dbraw/zinc/86/05/00/941860500.db2.gz ZPDATCBTNGWHGT-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP Cn1nccc1-c1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000513349000 941860503 /nfs/dbraw/zinc/86/05/03/941860503.db2.gz ZPDATCBTNGWHGT-SZPZYZBQSA-N 2 1 372.516 3.651 20 0 FHADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377650793 941866276 /nfs/dbraw/zinc/86/62/76/941866276.db2.gz NXWICUNLIZZNDM-QFIPXVFZSA-N 2 1 358.526 3.648 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000513464926 941942329 /nfs/dbraw/zinc/94/23/29/941942329.db2.gz GPFMJGIFAWWQHR-LJQANCHMSA-N 2 1 367.537 3.779 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513544196 942004729 /nfs/dbraw/zinc/00/47/29/942004729.db2.gz FFWJLPLTITZWNN-UYAOXDASSA-N 2 1 366.505 3.848 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513544194 942004837 /nfs/dbraw/zinc/00/48/37/942004837.db2.gz FFWJLPLTITZWNN-ICSRJNTNSA-N 2 1 366.505 3.848 20 0 FHADMP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C1CCN(CCO)CC1 ZINC000513569286 942012367 /nfs/dbraw/zinc/01/23/67/942012367.db2.gz SBOLFDXHFGWESG-UHFFFAOYSA-N 2 1 364.942 3.957 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000415906022 942133075 /nfs/dbraw/zinc/13/30/75/942133075.db2.gz JISYBQFIXUYKAS-UHFFFAOYSA-N 2 1 354.498 3.570 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415935237 942162062 /nfs/dbraw/zinc/16/20/62/942162062.db2.gz RHOCVCJTHVESMH-LAUBAEHRSA-N 2 1 366.509 3.753 20 0 FHADMP CCC[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415958546 942207856 /nfs/dbraw/zinc/20/78/56/942207856.db2.gz NQFSBFXISLKMLE-OAQYLSRUSA-N 2 1 366.509 3.664 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000415981063 942225308 /nfs/dbraw/zinc/22/53/08/942225308.db2.gz UOTOMNUOWQZPBJ-YLJYHZDGSA-N 2 1 366.509 3.568 20 0 FHADMP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420897243 942243448 /nfs/dbraw/zinc/24/34/48/942243448.db2.gz ASZALIIWJHXCFW-JOCHJYFZSA-N 2 1 366.505 3.517 20 0 FHADMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420897243 942243452 /nfs/dbraw/zinc/24/34/52/942243452.db2.gz ASZALIIWJHXCFW-JOCHJYFZSA-N 2 1 366.505 3.517 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000416003213 942244889 /nfs/dbraw/zinc/24/48/89/942244889.db2.gz FACOBTIGCLXPSF-RTBURBONSA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000416003213 942244893 /nfs/dbraw/zinc/24/48/93/942244893.db2.gz FACOBTIGCLXPSF-RTBURBONSA-N 2 1 372.900 3.626 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933630 942261545 /nfs/dbraw/zinc/26/15/45/942261545.db2.gz WKJWEYSUAYDHEG-QFIPXVFZSA-N 2 1 361.549 3.639 20 0 FHADMP Oc1cccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2CC2)c1 ZINC000420915245 942266554 /nfs/dbraw/zinc/26/65/54/942266554.db2.gz LBMMQTUYRXAQIF-UHFFFAOYSA-N 2 1 366.505 3.637 20 0 FHADMP Oc1cccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2CC2)c1 ZINC000420915245 942266560 /nfs/dbraw/zinc/26/65/60/942266560.db2.gz LBMMQTUYRXAQIF-UHFFFAOYSA-N 2 1 366.505 3.637 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000420975930 942287884 /nfs/dbraw/zinc/28/78/84/942287884.db2.gz GIXCNSIZPFWFFB-UHFFFAOYSA-N 2 1 351.485 3.616 20 0 FHADMP COC(=O)c1oc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501074575 942296350 /nfs/dbraw/zinc/29/63/50/942296350.db2.gz CHCXGASPYHDLDB-INIZCTEOSA-N 2 1 371.481 3.679 20 0 FHADMP COC(=O)c1oc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501074576 942296491 /nfs/dbraw/zinc/29/64/91/942296491.db2.gz CHCXGASPYHDLDB-MRXNPFEDSA-N 2 1 371.481 3.679 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000501425148 942470952 /nfs/dbraw/zinc/47/09/52/942470952.db2.gz ODZRIBAPUOGULX-GOSISDBHSA-N 2 1 368.521 3.768 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000501425148 942470956 /nfs/dbraw/zinc/47/09/56/942470956.db2.gz ODZRIBAPUOGULX-GOSISDBHSA-N 2 1 368.521 3.768 20 0 FHADMP c1cncc([C@H]2CCC[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000501441391 942479718 /nfs/dbraw/zinc/47/97/18/942479718.db2.gz GIMOXYUAIJVPAA-GMAHTHKFSA-N 2 1 365.521 3.730 20 0 FHADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000647938307 942487297 /nfs/dbraw/zinc/48/72/97/942487297.db2.gz JIQAMJOFJZEDHC-PKOBYXMFSA-N 2 1 367.493 3.867 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832544 942505942 /nfs/dbraw/zinc/50/59/42/942505942.db2.gz DSWYTYAILLJXCD-KDOFPFPSSA-N 2 1 351.922 3.863 20 0 FHADMP Cc1c(Cl)c(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)nn1C ZINC000421361006 942514293 /nfs/dbraw/zinc/51/42/93/942514293.db2.gz FYHPVIVCPIRGPM-UHFFFAOYSA-N 2 1 372.900 3.897 20 0 FHADMP Cc1c(Cl)c(CNCc2ccccc2CN(C)Cc2ccco2)nn1C ZINC000421361006 942514296 /nfs/dbraw/zinc/51/42/96/942514296.db2.gz FYHPVIVCPIRGPM-UHFFFAOYSA-N 2 1 372.900 3.897 20 0 FHADMP C[C@@H]([NH3+])CCNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420157614 942542079 /nfs/dbraw/zinc/54/20/79/942542079.db2.gz PKRZBLCKCBADTM-CYBMUJFWSA-N 2 1 355.511 3.569 20 0 FHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893206518 942595271 /nfs/dbraw/zinc/59/52/71/942595271.db2.gz FUOKXPSHCNZBQW-MGMGXWTDSA-N 2 1 358.526 3.527 20 0 FHADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909462 942601748 /nfs/dbraw/zinc/60/17/48/942601748.db2.gz NKSKROPJKSUSMR-PMACEKPBSA-N 2 1 359.558 3.524 20 0 FHADMP C[C@](C[NH3+])([NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC1 ZINC000420282096 942603703 /nfs/dbraw/zinc/60/37/03/942603703.db2.gz APPIJVMFSUDHSE-GOSISDBHSA-N 2 1 360.914 3.933 20 0 FHADMP CCc1ccc(CC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000420302275 942611029 /nfs/dbraw/zinc/61/10/29/942611029.db2.gz BQLFQDAQAOOPHK-LJQANCHMSA-N 2 1 355.551 3.892 20 0 FHADMP Cc1ccccc1OCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420314828 942617858 /nfs/dbraw/zinc/61/78/58/942617858.db2.gz QWKRHICFGBVZCR-OAQYLSRUSA-N 2 1 353.510 3.803 20 0 FHADMP Cc1ccccc1OCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420314828 942617863 /nfs/dbraw/zinc/61/78/63/942617863.db2.gz QWKRHICFGBVZCR-OAQYLSRUSA-N 2 1 353.510 3.803 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000420315690 942618338 /nfs/dbraw/zinc/61/83/38/942618338.db2.gz XFAUQHWIVKJJSI-ZBFHGGJFSA-N 2 1 351.450 3.673 20 0 FHADMP COc1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000420317615 942619066 /nfs/dbraw/zinc/61/90/66/942619066.db2.gz NMLMCIJFJQFNNN-SFHVURJKSA-N 2 1 354.494 3.706 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000420316447 942619073 /nfs/dbraw/zinc/61/90/73/942619073.db2.gz YECXVXLDWXIXOG-IPELMVKDSA-N 2 1 363.461 3.673 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420316350 942619259 /nfs/dbraw/zinc/61/92/59/942619259.db2.gz YBGWQXWPAVLLEO-PDGJWGCVSA-N 2 1 363.505 3.734 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420316350 942619266 /nfs/dbraw/zinc/61/92/66/942619266.db2.gz YBGWQXWPAVLLEO-PDGJWGCVSA-N 2 1 363.505 3.734 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328219 942630519 /nfs/dbraw/zinc/63/05/19/942630519.db2.gz ZQGHMLSORAMYLT-SIKLNZKXSA-N 2 1 353.510 3.641 20 0 FHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000420365705 942640898 /nfs/dbraw/zinc/64/08/98/942640898.db2.gz QLANQGGEKGARSS-LJQANCHMSA-N 2 1 359.901 3.792 20 0 FHADMP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420377985 942646485 /nfs/dbraw/zinc/64/64/85/942646485.db2.gz TZDBQZAYTIRSGJ-IIDMSEBBSA-N 2 1 367.331 3.601 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403441 942662054 /nfs/dbraw/zinc/66/20/54/942662054.db2.gz RMWSMUPKZWQHLH-RXVVDRJESA-N 2 1 351.494 3.632 20 0 FHADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407712 942664491 /nfs/dbraw/zinc/66/44/91/942664491.db2.gz OOCOKSFWDAXBOQ-ROUUACIJSA-N 2 1 367.493 3.724 20 0 FHADMP Cc1cc(C[N@@H+](CC[C@H]2CCC[NH+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737934 942690550 /nfs/dbraw/zinc/69/05/50/942690550.db2.gz LQGTVYFNATUHOE-OAQYLSRUSA-N 2 1 373.589 3.718 20 0 FHADMP Cc1cc(C[N@H+](CC[C@H]2CCC[NH+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737934 942690556 /nfs/dbraw/zinc/69/05/56/942690556.db2.gz LQGTVYFNATUHOE-OAQYLSRUSA-N 2 1 373.589 3.718 20 0 FHADMP Cc1cc(C[NH+](CC[C@H]2CCC[N@@H+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737934 942690559 /nfs/dbraw/zinc/69/05/59/942690559.db2.gz LQGTVYFNATUHOE-OAQYLSRUSA-N 2 1 373.589 3.718 20 0 FHADMP Cc1cc(C[NH+](CC[C@H]2CCC[N@H+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737934 942690564 /nfs/dbraw/zinc/69/05/64/942690564.db2.gz LQGTVYFNATUHOE-OAQYLSRUSA-N 2 1 373.589 3.718 20 0 FHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085066 942735511 /nfs/dbraw/zinc/73/55/11/942735511.db2.gz SNHKZDYRIDIXHY-ZGXWSNOMSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085066 942735515 /nfs/dbraw/zinc/73/55/15/942735515.db2.gz SNHKZDYRIDIXHY-ZGXWSNOMSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085066 942735518 /nfs/dbraw/zinc/73/55/18/942735518.db2.gz SNHKZDYRIDIXHY-ZGXWSNOMSA-N 2 1 361.599 3.984 20 0 FHADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@H]2CCCO2)cc1)C[C@@H]1CCCO1 ZINC000514198615 942808611 /nfs/dbraw/zinc/80/86/11/942808611.db2.gz DUIDPJBUFSXPHO-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@@H]2CCCO2)cc1)C[C@H]1CCCO1 ZINC000514198615 942808615 /nfs/dbraw/zinc/80/86/15/942808615.db2.gz DUIDPJBUFSXPHO-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@@H]2CCCO2)cc1)C[C@H]1CCCO1 ZINC000514198615 942808622 /nfs/dbraw/zinc/80/86/22/942808622.db2.gz DUIDPJBUFSXPHO-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000514211162 942820658 /nfs/dbraw/zinc/82/06/58/942820658.db2.gz OHJJVEMCHZZVKQ-VDGAXYAQSA-N 2 1 368.949 3.754 20 0 FHADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642338 942821834 /nfs/dbraw/zinc/82/18/34/942821834.db2.gz GWLIOXWJUQGQCR-UGKGYDQZSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000434642338 942821836 /nfs/dbraw/zinc/82/18/36/942821836.db2.gz GWLIOXWJUQGQCR-UGKGYDQZSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000434642338 942821838 /nfs/dbraw/zinc/82/18/38/942821838.db2.gz GWLIOXWJUQGQCR-UGKGYDQZSA-N 2 1 359.558 3.821 20 0 FHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000434642338 942821842 /nfs/dbraw/zinc/82/18/42/942821842.db2.gz GWLIOXWJUQGQCR-UGKGYDQZSA-N 2 1 359.558 3.821 20 0 FHADMP CC(=O)N1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000378501728 942831841 /nfs/dbraw/zinc/83/18/41/942831841.db2.gz WNHFFVUSLSXAKB-AVRDEDQJSA-N 2 1 357.542 3.724 20 0 FHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C(C)C)c(F)c1 ZINC000421832093 942837512 /nfs/dbraw/zinc/83/75/12/942837512.db2.gz MIKPFTUQPRRSPD-IERDGZPVSA-N 2 1 364.505 3.622 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000421850395 942846468 /nfs/dbraw/zinc/84/64/68/942846468.db2.gz DJQPSFOGOPCQMU-AWEZNQCLSA-N 2 1 363.889 3.535 20 0 FHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000434687586 942865634 /nfs/dbraw/zinc/86/56/34/942865634.db2.gz FEOKDDUTUHMHQW-UHFFFAOYSA-N 2 1 355.457 3.811 20 0 FHADMP C[C@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414559170 942882311 /nfs/dbraw/zinc/88/23/11/942882311.db2.gz PHGVHSRUHBDCQT-HUXGSGHJSA-N 2 1 368.565 3.674 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378569168 942902395 /nfs/dbraw/zinc/90/23/95/942902395.db2.gz PQBFSIWDCPLLSK-IHPCNDPISA-N 2 1 363.505 3.613 20 0 FHADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434752448 942944278 /nfs/dbraw/zinc/94/42/78/942944278.db2.gz BGYZWMFBMVUYJH-QGZVFWFLSA-N 2 1 372.557 3.578 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000503084631 942967381 /nfs/dbraw/zinc/96/73/81/942967381.db2.gz CRYDNUUBADAUNC-SFHVURJKSA-N 2 1 370.541 3.589 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000503084631 942967385 /nfs/dbraw/zinc/96/73/85/942967385.db2.gz CRYDNUUBADAUNC-SFHVURJKSA-N 2 1 370.541 3.589 20 0 FHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000467308514 943023221 /nfs/dbraw/zinc/02/32/21/943023221.db2.gz KZCPGCHJOVSTHT-OAQYLSRUSA-N 2 1 354.469 3.860 20 0 FHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000467308514 943023226 /nfs/dbraw/zinc/02/32/26/943023226.db2.gz KZCPGCHJOVSTHT-OAQYLSRUSA-N 2 1 354.469 3.860 20 0 FHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856961 943030857 /nfs/dbraw/zinc/03/08/57/943030857.db2.gz ZUIXSCCSMNZERH-GUYCJALGSA-N 2 1 367.921 3.563 20 0 FHADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OCc1cccs1 ZINC000271817799 943055812 /nfs/dbraw/zinc/05/58/12/943055812.db2.gz MJLMZCQVRJRNGJ-UHFFFAOYSA-N 2 1 358.507 3.687 20 0 FHADMP Cn1cncc1CCN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000298582461 943116580 /nfs/dbraw/zinc/11/65/80/943116580.db2.gz XUOOCNYFWLDSIZ-IBGZPJMESA-N 2 1 353.445 3.719 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661879 943133117 /nfs/dbraw/zinc/13/31/17/943133117.db2.gz QOUCWSZIEINVNB-WBVHZDCISA-N 2 1 360.523 3.895 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272664832 943197150 /nfs/dbraw/zinc/19/71/50/943197150.db2.gz IVPWQFADJDKAFI-IRFCIJBXSA-N 2 1 371.569 3.827 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000272725250 943210148 /nfs/dbraw/zinc/21/01/48/943210148.db2.gz GQOTWGNATKOJQX-CRAIPNDOSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000272725250 943210151 /nfs/dbraw/zinc/21/01/51/943210151.db2.gz GQOTWGNATKOJQX-CRAIPNDOSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccnc1Cl ZINC000272725256 943210391 /nfs/dbraw/zinc/21/03/91/943210391.db2.gz GQOTWGNATKOJQX-YJBOKZPZSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccnc1Cl ZINC000272725256 943210394 /nfs/dbraw/zinc/21/03/94/943210394.db2.gz GQOTWGNATKOJQX-YJBOKZPZSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422642689 943219112 /nfs/dbraw/zinc/21/91/12/943219112.db2.gz ZXIOHPFYMKFHOA-ZHALLVOQSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422642689 943219117 /nfs/dbraw/zinc/21/91/17/943219117.db2.gz ZXIOHPFYMKFHOA-ZHALLVOQSA-N 2 1 351.494 3.597 20 0 FHADMP CCOc1ccccc1Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422695890 943235416 /nfs/dbraw/zinc/23/54/16/943235416.db2.gz QJJUTYNKYOYQQZ-JWTNVVGKSA-N 2 1 353.466 3.645 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422699142 943237041 /nfs/dbraw/zinc/23/70/41/943237041.db2.gz AFAVYAPMYBMSKF-KSSFIOAISA-N 2 1 362.901 3.795 20 0 FHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272948950 943249254 /nfs/dbraw/zinc/24/92/54/943249254.db2.gz UKWKPNMNEBHDPV-GHTZIAJQSA-N 2 1 369.553 3.665 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000416966985 943255581 /nfs/dbraw/zinc/25/55/81/943255581.db2.gz GIGKNHBIRVIEFO-UHFFFAOYSA-N 2 1 374.573 3.577 20 0 FHADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726340 943260684 /nfs/dbraw/zinc/26/06/84/943260684.db2.gz DQBSBCJIIQFHAO-UGSOOPFHSA-N 2 1 356.341 3.545 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000422758736 943263022 /nfs/dbraw/zinc/26/30/22/943263022.db2.gz KQXUNEJNLRWWFU-JTQLQIEISA-N 2 1 352.251 3.601 20 0 FHADMP CC1CC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431913277 943263662 /nfs/dbraw/zinc/26/36/62/943263662.db2.gz LXAPRXYMYIVDPU-QFIPXVFZSA-N 2 1 371.569 3.799 20 0 FHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)c2ccccc21 ZINC000422808176 943289867 /nfs/dbraw/zinc/28/98/67/943289867.db2.gz APFOXJZGCAQBKV-ROUUACIJSA-N 2 1 350.384 4.000 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(CN2CCc3ccccc32)cc1)c1c[nH+]ccc1N ZINC000422809360 943290878 /nfs/dbraw/zinc/29/08/78/943290878.db2.gz MCTNBSKYCQZOFV-KRWDZBQOSA-N 2 1 358.489 3.908 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836859 943300311 /nfs/dbraw/zinc/30/03/11/943300311.db2.gz KSEDREYIRFTFSZ-FUKQBSRTSA-N 2 1 351.538 3.588 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cc(C(C)(C)C)cc3C)C2)CC1 ZINC000503645011 943308025 /nfs/dbraw/zinc/30/80/25/943308025.db2.gz BNFNNPSKFLJKQU-NRFANRHFSA-N 2 1 357.586 3.813 20 0 FHADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422865494 943310586 /nfs/dbraw/zinc/31/05/86/943310586.db2.gz YFQVTEDXCIVFOD-HNAYVOBHSA-N 2 1 359.901 3.525 20 0 FHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841643 943311466 /nfs/dbraw/zinc/31/14/66/943311466.db2.gz DJWRQLJXZSMHRC-PMACEKPBSA-N 2 1 355.457 3.828 20 0 FHADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1c[nH+]ccc1N ZINC000422878907 943314096 /nfs/dbraw/zinc/31/40/96/943314096.db2.gz LGGJFTMSVPQOAV-HNNXBMFYSA-N 3 1 358.917 3.710 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880235 943314850 /nfs/dbraw/zinc/31/48/50/943314850.db2.gz NRYPARQALIGCKO-CXAGYDPISA-N 2 1 357.325 3.629 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880237 943315242 /nfs/dbraw/zinc/31/52/42/943315242.db2.gz NRYPARQALIGCKO-DYVFJYSZSA-N 2 1 357.325 3.629 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422881431 943316499 /nfs/dbraw/zinc/31/64/99/943316499.db2.gz NOJQHGRTQFTRMM-MRFFXTKBSA-N 2 1 350.466 3.766 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422903644 943325893 /nfs/dbraw/zinc/32/58/93/943325893.db2.gz FXRXNQHVFPJZQM-MBSDFSHPSA-N 2 1 360.505 3.829 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909488 943328581 /nfs/dbraw/zinc/32/85/81/943328581.db2.gz OESLTMOPWKHWBD-QMHWCDLVSA-N 2 1 371.569 3.733 20 0 FHADMP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909488 943328586 /nfs/dbraw/zinc/32/85/86/943328586.db2.gz OESLTMOPWKHWBD-QMHWCDLVSA-N 2 1 371.569 3.733 20 0 FHADMP C[NH2+][C@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414703618 943331358 /nfs/dbraw/zinc/33/13/58/943331358.db2.gz CNJAWZTWMQWZJX-SFHVURJKSA-N 2 1 358.530 3.667 20 0 FHADMP C[NH2+][C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414703615 943331399 /nfs/dbraw/zinc/33/13/99/943331399.db2.gz CNJAWZTWMQWZJX-GOSISDBHSA-N 2 1 358.530 3.667 20 0 FHADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422933868 943336583 /nfs/dbraw/zinc/33/65/83/943336583.db2.gz IOTCIIVECOJNMR-BHIFYINESA-N 2 1 366.505 3.512 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414705501 943339392 /nfs/dbraw/zinc/33/93/92/943339392.db2.gz FEMYQCJDRAXZOL-GOSISDBHSA-N 2 1 372.557 3.962 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942477 943340327 /nfs/dbraw/zinc/34/03/27/943340327.db2.gz KKJYLGPKLUWDLB-HNAYVOBHSA-N 2 1 359.901 3.607 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922376 943347039 /nfs/dbraw/zinc/34/70/39/943347039.db2.gz KSNFJGYSYPVYET-QZTJIDSGSA-N 2 1 351.560 3.512 20 0 FHADMP CC[N@@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435373785 943355220 /nfs/dbraw/zinc/35/52/20/943355220.db2.gz VMGMSNFLYJVVBT-FQEVSTJZSA-N 2 1 369.509 3.633 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH2+]CC2)o1 ZINC000435377761 943358014 /nfs/dbraw/zinc/35/80/14/943358014.db2.gz AQLYMOPZFQWKKZ-UHFFFAOYSA-N 2 1 350.466 3.625 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH2+]CC2)o1 ZINC000435377761 943358016 /nfs/dbraw/zinc/35/80/16/943358016.db2.gz AQLYMOPZFQWKKZ-UHFFFAOYSA-N 2 1 350.466 3.625 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000422998162 943360065 /nfs/dbraw/zinc/36/00/65/943360065.db2.gz CKRBNUPCZSCPJC-ZSLQJQOZSA-N 3 1 355.570 3.797 20 0 FHADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000414711104 943362108 /nfs/dbraw/zinc/36/21/08/943362108.db2.gz LWLRQGNXYFDYTO-FQEVSTJZSA-N 2 1 358.530 3.652 20 0 FHADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371176 943365033 /nfs/dbraw/zinc/36/50/33/943365033.db2.gz LPKJLUXJVOFTKH-GOEBONIOSA-N 2 1 357.885 3.761 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000435378120 943366701 /nfs/dbraw/zinc/36/67/01/943366701.db2.gz CCJIJXCSCRHHAG-CGTJXYLNSA-N 2 1 358.507 3.505 20 0 FHADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1c[nH+]ccc1N ZINC000423047701 943368676 /nfs/dbraw/zinc/36/86/76/943368676.db2.gz VLGFGOZFOOAJMH-NEPJUHHUSA-N 2 1 351.281 3.730 20 0 FHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000435381701 943369553 /nfs/dbraw/zinc/36/95/53/943369553.db2.gz VITGFUUEAUXWGD-PWIZWCRZSA-N 2 1 369.896 3.761 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036501 943373372 /nfs/dbraw/zinc/37/33/72/943373372.db2.gz UEUNSZRWQFXSGR-FZKQIMNGSA-N 2 1 356.341 3.545 20 0 FHADMP CC(C)c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713238 943373747 /nfs/dbraw/zinc/37/37/47/943373747.db2.gz UDRPPLHLYBJJSF-WIYYLYMNSA-N 2 1 357.542 3.534 20 0 FHADMP CC[N@@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]CC1 ZINC000435387032 943375022 /nfs/dbraw/zinc/37/50/22/943375022.db2.gz WKCVDVFUVKIFFX-HNNXBMFYSA-N 2 1 362.315 3.961 20 0 FHADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423059718 943378306 /nfs/dbraw/zinc/37/83/06/943378306.db2.gz MUKGWRUNXDZSPZ-BNEJOLLZSA-N 2 1 356.432 3.556 20 0 FHADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049581 943383632 /nfs/dbraw/zinc/38/36/32/943383632.db2.gz KGUIJDUFKNLBGU-WJFTUGDTSA-N 2 1 369.475 3.818 20 0 FHADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423100794 943394577 /nfs/dbraw/zinc/39/45/77/943394577.db2.gz BXSPRSSCPUBTEX-NWANDNLSSA-N 2 1 358.404 3.604 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122959 943397962 /nfs/dbraw/zinc/39/79/62/943397962.db2.gz KJZJKJPOYHKSQU-ACESQOTJSA-N 2 1 373.585 3.977 20 0 FHADMP CC[C@@H](C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420330 943400681 /nfs/dbraw/zinc/40/06/81/943400681.db2.gz CQZFUZVHCSLFEW-ICSRJNTNSA-N 2 1 352.526 3.558 20 0 FHADMP CC[C@@H](C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420329 943400696 /nfs/dbraw/zinc/40/06/96/943400696.db2.gz CQZFUZVHCSLFEW-AZUAARDMSA-N 2 1 352.526 3.558 20 0 FHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423106230 943401817 /nfs/dbraw/zinc/40/18/17/943401817.db2.gz RDTAOJDVHSZTLP-QFBILLFUSA-N 2 1 365.949 3.577 20 0 FHADMP C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112154 943405106 /nfs/dbraw/zinc/40/51/06/943405106.db2.gz XFPMFRMUAUWKMV-SFZRTLEMSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112154 943405110 /nfs/dbraw/zinc/40/51/10/943405110.db2.gz XFPMFRMUAUWKMV-SFZRTLEMSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112154 943405114 /nfs/dbraw/zinc/40/51/14/943405114.db2.gz XFPMFRMUAUWKMV-SFZRTLEMSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@H](CC1CCOCC1)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426614 943405705 /nfs/dbraw/zinc/40/57/05/943405705.db2.gz JAXWXYHMFJPMNL-AEFFLSMTSA-N 2 1 363.571 3.540 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1ccc(C)cc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435429525 943407862 /nfs/dbraw/zinc/40/78/62/943407862.db2.gz XNCCXVMDZBYGDA-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1ccc(C)cc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435429525 943407871 /nfs/dbraw/zinc/40/78/71/943407871.db2.gz XNCCXVMDZBYGDA-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cc(C)cc(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428924 943408833 /nfs/dbraw/zinc/40/88/33/943408833.db2.gz VGOJQIOTPVSONJ-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cc(C)cc(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428924 943408837 /nfs/dbraw/zinc/40/88/37/943408837.db2.gz VGOJQIOTPVSONJ-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423134446 943414602 /nfs/dbraw/zinc/41/46/02/943414602.db2.gz RXDFRLGPJMOMHK-BAGYTPMASA-N 2 1 354.469 3.739 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414719744 943418513 /nfs/dbraw/zinc/41/85/13/943418513.db2.gz ZMOLTWROBAUBIW-QFIPXVFZSA-N 2 1 370.541 3.668 20 0 FHADMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423184672 943420500 /nfs/dbraw/zinc/42/05/00/943420500.db2.gz MRLPRJDTGPOIMB-LLVKDONJSA-N 2 1 353.297 3.890 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc2c(s1)CCC2 ZINC000423158844 943421177 /nfs/dbraw/zinc/42/11/77/943421177.db2.gz DOPPMSDJKCGQOJ-RISOHXOYSA-N 2 1 355.507 3.538 20 0 FHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423172248 943425162 /nfs/dbraw/zinc/42/51/62/943425162.db2.gz RYQVFUFTCKPBKB-WMLDXEAASA-N 2 1 372.962 3.534 20 0 FHADMP CC1CC[NH+](CCC[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208262 943431531 /nfs/dbraw/zinc/43/15/31/943431531.db2.gz HQTWMMCEWKTHNW-DENIHFKCSA-N 2 1 361.549 3.968 20 0 FHADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423187067 943435096 /nfs/dbraw/zinc/43/50/96/943435096.db2.gz LQQCPZIGXLJIOA-GOSISDBHSA-N 2 1 365.399 3.737 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423221619 943448543 /nfs/dbraw/zinc/44/85/43/943448543.db2.gz XDSINJJPHNQBGO-SRVKXCTJSA-N 2 1 364.383 3.928 20 0 FHADMP CCc1cccc(Cl)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000515020660 943449575 /nfs/dbraw/zinc/44/95/75/943449575.db2.gz UZAKMJOTDYEKCH-DFNIBXOVSA-N 2 1 361.961 3.645 20 0 FHADMP CCc1cccc(Cl)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000515020660 943449577 /nfs/dbraw/zinc/44/95/77/943449577.db2.gz UZAKMJOTDYEKCH-DFNIBXOVSA-N 2 1 361.961 3.645 20 0 FHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1ccc(F)cc1 ZINC000423292654 943466032 /nfs/dbraw/zinc/46/60/32/943466032.db2.gz NTEQMEGGFBQELW-ZIAGYGMSSA-N 2 1 353.445 3.585 20 0 FHADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000423316709 943473150 /nfs/dbraw/zinc/47/31/50/943473150.db2.gz AIMPXBBAQFOUGP-NANBGGJNSA-N 2 1 356.432 3.851 20 0 FHADMP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293909 943475108 /nfs/dbraw/zinc/47/51/08/943475108.db2.gz SMCQBKWONVNEKL-RTBURBONSA-N 2 1 351.538 3.892 20 0 FHADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423357419 943489800 /nfs/dbraw/zinc/48/98/00/943489800.db2.gz AKEKDBMXKPKMRY-VLEUTVDFSA-N 2 1 354.510 3.922 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@H]32)cc1 ZINC000423391077 943499803 /nfs/dbraw/zinc/49/98/03/943499803.db2.gz PFOUHZZVTNLTMU-KMDXXIMOSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@H]32)cc1 ZINC000423391077 943499804 /nfs/dbraw/zinc/49/98/04/943499804.db2.gz PFOUHZZVTNLTMU-KMDXXIMOSA-N 2 1 361.533 3.823 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NCc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@H]32)cc1 ZINC000423391077 943499805 /nfs/dbraw/zinc/49/98/05/943499805.db2.gz PFOUHZZVTNLTMU-KMDXXIMOSA-N 2 1 361.533 3.823 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423409053 943509154 /nfs/dbraw/zinc/50/91/54/943509154.db2.gz YLKQEXSOXQYBOI-ISVAXAHUSA-N 2 1 351.210 3.856 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000423444263 943513140 /nfs/dbraw/zinc/51/31/40/943513140.db2.gz WOIQMIRLDTWHGO-MGPUTAFESA-N 2 1 354.498 3.656 20 0 FHADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146470 943523664 /nfs/dbraw/zinc/52/36/64/943523664.db2.gz SEXDDLSVXXIMHD-JLHGSKIFSA-N 2 1 351.494 3.658 20 0 FHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148397 943524006 /nfs/dbraw/zinc/52/40/06/943524006.db2.gz VWCPJVLTDHESQK-QUCCMNQESA-N 2 1 374.573 3.502 20 0 FHADMP CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435627843 943527008 /nfs/dbraw/zinc/52/70/08/943527008.db2.gz OYXNAPKVWZFRAR-CYBMUJFWSA-N 2 1 358.313 3.786 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000423506949 943531531 /nfs/dbraw/zinc/53/15/31/943531531.db2.gz JARWSXBGLURBMW-KKXNLOMOSA-N 2 1 353.510 3.814 20 0 FHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423490163 943534967 /nfs/dbraw/zinc/53/49/67/943534967.db2.gz YHTLKURMZZPCKC-AEFFLSMTSA-N 2 1 365.855 3.853 20 0 FHADMP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000504171565 943535155 /nfs/dbraw/zinc/53/51/55/943535155.db2.gz ZONTZJGSWOYCJS-OAQYLSRUSA-N 2 1 351.494 3.967 20 0 FHADMP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000504171565 943535159 /nfs/dbraw/zinc/53/51/59/943535159.db2.gz ZONTZJGSWOYCJS-OAQYLSRUSA-N 2 1 351.494 3.967 20 0 FHADMP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000423491569 943535725 /nfs/dbraw/zinc/53/57/25/943535725.db2.gz JVHAYILABJYUTN-IAGOWNOFSA-N 2 1 355.320 3.504 20 0 FHADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)c1 ZINC000423530793 943539260 /nfs/dbraw/zinc/53/92/60/943539260.db2.gz ZGBVDOYCMSHIPO-XMSQKQJNSA-N 2 1 354.494 3.603 20 0 FHADMP CCn1ccnc1C[N@H+](CCSc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435679590 943541040 /nfs/dbraw/zinc/54/10/40/943541040.db2.gz ALACMXULEFEOIB-IBGZPJMESA-N 2 1 370.566 3.639 20 0 FHADMP CCn1ccnc1C[N@@H+](CCSc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435679590 943541043 /nfs/dbraw/zinc/54/10/43/943541043.db2.gz ALACMXULEFEOIB-IBGZPJMESA-N 2 1 370.566 3.639 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515884 943542599 /nfs/dbraw/zinc/54/25/99/943542599.db2.gz XNVUTKYUQYPPOI-JTSKRJEESA-N 3 1 355.526 3.540 20 0 FHADMP Cn1ccnc1C[N@H+](Cc1cccc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435683343 943544407 /nfs/dbraw/zinc/54/44/07/943544407.db2.gz OYKVREHIKMUYRB-NRFANRHFSA-N 2 1 360.505 3.718 20 0 FHADMP Cn1ccnc1C[N@@H+](Cc1cccc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435683343 943544410 /nfs/dbraw/zinc/54/44/10/943544410.db2.gz OYKVREHIKMUYRB-NRFANRHFSA-N 2 1 360.505 3.718 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1Cl ZINC000423522220 943545952 /nfs/dbraw/zinc/54/59/52/943545952.db2.gz UFBWNMBLXJDETO-NFOMZHRRSA-N 2 1 356.341 3.860 20 0 FHADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000423526670 943547265 /nfs/dbraw/zinc/54/72/65/943547265.db2.gz ZVXILLRNSIUVPK-NAVOZUGXSA-N 3 1 363.549 3.967 20 0 FHADMP CC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423548763 943553907 /nfs/dbraw/zinc/55/39/07/943553907.db2.gz DWUIVSBUVCEULB-NRFANRHFSA-N 2 1 355.501 3.860 20 0 FHADMP COc1cc(C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751690 943563008 /nfs/dbraw/zinc/56/30/08/943563008.db2.gz SXLIIHVCAGFMNC-HIFRSBDPSA-N 2 1 354.441 3.649 20 0 FHADMP Cc1c[nH]c(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000628298246 943642000 /nfs/dbraw/zinc/64/20/00/943642000.db2.gz ZBWCTKCQADSXLZ-OAQYLSRUSA-N 2 1 352.526 3.841 20 0 FHADMP Cc1c[nH]c(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000628298246 943642003 /nfs/dbraw/zinc/64/20/03/943642003.db2.gz ZBWCTKCQADSXLZ-OAQYLSRUSA-N 2 1 352.526 3.841 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424130208 943757685 /nfs/dbraw/zinc/75/76/85/943757685.db2.gz HCDGFBSCBKFUCY-UYAOXDASSA-N 2 1 351.579 3.693 20 0 FHADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846980 943760120 /nfs/dbraw/zinc/76/01/20/943760120.db2.gz VJRLBJAZWOHXKJ-OXQOHEQNSA-N 2 1 364.468 3.990 20 0 FHADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846980 943760123 /nfs/dbraw/zinc/76/01/23/943760123.db2.gz VJRLBJAZWOHXKJ-OXQOHEQNSA-N 2 1 364.468 3.990 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424369310 943881755 /nfs/dbraw/zinc/88/17/55/943881755.db2.gz BECPGOHMBIJAEX-HNNXBMFYSA-N 2 1 358.917 3.798 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000424380387 943889273 /nfs/dbraw/zinc/88/92/73/943889273.db2.gz XCWQMPUDBMHZDY-ZLGUVYLKSA-N 2 1 364.493 3.834 20 0 FHADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000424385207 943893350 /nfs/dbraw/zinc/89/33/50/943893350.db2.gz WDFDKXCSPFLHGJ-AWEZNQCLSA-N 2 1 372.431 3.600 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000417878748 943919690 /nfs/dbraw/zinc/91/96/90/943919690.db2.gz PCERUGYDDXFDCE-PZJWPPBQSA-N 2 1 374.573 3.625 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044848 943946921 /nfs/dbraw/zinc/94/69/21/943946921.db2.gz KESLRPYMJBEPJL-ZWKOTPCHSA-N 2 1 355.530 3.566 20 0 FHADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414792632 943946986 /nfs/dbraw/zinc/94/69/86/943946986.db2.gz CMWWVKWOXRCBBT-CXAGYDPISA-N 2 1 365.930 3.983 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500059456 944031746 /nfs/dbraw/zinc/03/17/46/944031746.db2.gz MASHWEUOSHPDKV-FYYLOGMGSA-N 2 1 371.569 3.668 20 0 FHADMP CCN(Cc1ccc(C)cc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000517172510 944064623 /nfs/dbraw/zinc/06/46/23/944064623.db2.gz XPOHIAMSTNSMDF-UHFFFAOYSA-N 2 1 371.569 3.540 20 0 FHADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000414808932 944074322 /nfs/dbraw/zinc/07/43/22/944074322.db2.gz LNPCGPBTTCGRDG-ZDUSSCGKSA-N 2 1 367.474 3.848 20 0 FHADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414810813 944089999 /nfs/dbraw/zinc/08/99/99/944089999.db2.gz OKYIGPGXWUZEEF-UHFFFAOYSA-N 2 1 355.482 3.555 20 0 FHADMP CNC(=O)c1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cc1 ZINC000506124688 944097668 /nfs/dbraw/zinc/09/76/68/944097668.db2.gz IPKGWUJEOWDKSP-UHFFFAOYSA-N 2 1 367.537 3.636 20 0 FHADMP CNC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cc1 ZINC000506124688 944097670 /nfs/dbraw/zinc/09/76/70/944097670.db2.gz IPKGWUJEOWDKSP-UHFFFAOYSA-N 2 1 367.537 3.636 20 0 FHADMP CNC(=O)c1ccc(C[NH+](C)CC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000506124688 944097672 /nfs/dbraw/zinc/09/76/72/944097672.db2.gz IPKGWUJEOWDKSP-UHFFFAOYSA-N 2 1 367.537 3.636 20 0 FHADMP CNC(=O)c1ccc(C[NH+](C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000506124688 944097678 /nfs/dbraw/zinc/09/76/78/944097678.db2.gz IPKGWUJEOWDKSP-UHFFFAOYSA-N 2 1 367.537 3.636 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000500133551 944150845 /nfs/dbraw/zinc/15/08/45/944150845.db2.gz QEVIWZZOMODUMZ-RBUKOAKNSA-N 2 1 374.573 3.591 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000436281971 944161681 /nfs/dbraw/zinc/16/16/81/944161681.db2.gz HTUWDGCWVRZURO-QMCAAQAGSA-N 2 1 370.537 3.609 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000436289626 944175679 /nfs/dbraw/zinc/17/56/79/944175679.db2.gz YCEHGOHNMOGLIR-OQRYQMPQSA-N 2 1 366.496 3.937 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H](C)C1 ZINC000436289628 944175869 /nfs/dbraw/zinc/17/58/69/944175869.db2.gz YCEHGOHNMOGLIR-UAMLPYHUSA-N 2 1 366.496 3.937 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000515756406 944184729 /nfs/dbraw/zinc/18/47/29/944184729.db2.gz BTIVLBJNHGLOOT-ROUUACIJSA-N 2 1 359.558 3.844 20 0 FHADMP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757373 944185566 /nfs/dbraw/zinc/18/55/66/944185566.db2.gz CKLPQOBRPDEJGS-HSALFYBXSA-N 2 1 373.585 3.805 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156812 944312256 /nfs/dbraw/zinc/31/22/56/944312256.db2.gz KWVLIDFDGFNASV-BJKOFHAPSA-N 2 1 364.533 3.927 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156812 944312264 /nfs/dbraw/zinc/31/22/64/944312264.db2.gz KWVLIDFDGFNASV-BJKOFHAPSA-N 2 1 364.533 3.927 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481999 944331281 /nfs/dbraw/zinc/33/12/81/944331281.db2.gz RWQVHVCHBYGMGE-PZJWPPBQSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481999 944331285 /nfs/dbraw/zinc/33/12/85/944331285.db2.gz RWQVHVCHBYGMGE-PZJWPPBQSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481999 944331293 /nfs/dbraw/zinc/33/12/93/944331293.db2.gz RWQVHVCHBYGMGE-PZJWPPBQSA-N 2 1 363.590 3.659 20 0 FHADMP [NH3+]C1(c2cccc(Cl)c2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975649 944347315 /nfs/dbraw/zinc/34/73/15/944347315.db2.gz SYIKJDRLQVTMEB-WCRBZPEASA-N 2 1 373.972 3.995 20 0 FHADMP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000518426209 944370491 /nfs/dbraw/zinc/37/04/91/944370491.db2.gz CBHPDSZNSOXWKC-RTBURBONSA-N 2 1 361.549 3.685 20 0 FHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000120807534 944374699 /nfs/dbraw/zinc/37/46/99/944374699.db2.gz NCTXQQAWBDJWGB-IBGZPJMESA-N 2 1 353.510 3.709 20 0 FHADMP CCc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000517537319 944383386 /nfs/dbraw/zinc/38/33/86/944383386.db2.gz OADCPBBVTJWGGR-OAQYLSRUSA-N 2 1 357.567 3.779 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCCCOc3ccccc3)c2)CCO1 ZINC000438197234 944397515 /nfs/dbraw/zinc/39/75/15/944397515.db2.gz FBLNYPSBXNDEGM-FQEVSTJZSA-N 2 1 368.521 3.856 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCCCOc3ccccc3)c2)CCO1 ZINC000438197234 944397525 /nfs/dbraw/zinc/39/75/25/944397525.db2.gz FBLNYPSBXNDEGM-FQEVSTJZSA-N 2 1 368.521 3.856 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000438186030 944403222 /nfs/dbraw/zinc/40/32/22/944403222.db2.gz DOLQKVGCMYORBR-ZJZGAYNASA-N 2 1 364.533 3.795 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000438186030 944403225 /nfs/dbraw/zinc/40/32/25/944403225.db2.gz DOLQKVGCMYORBR-ZJZGAYNASA-N 2 1 364.533 3.795 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426306741 944409543 /nfs/dbraw/zinc/40/95/43/944409543.db2.gz LCVCFBIVUSLYQJ-SYYKKAFVSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426306741 944409548 /nfs/dbraw/zinc/40/95/48/944409548.db2.gz LCVCFBIVUSLYQJ-SYYKKAFVSA-N 2 1 367.512 3.905 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCCCOc2ccccc2)cc1 ZINC000414887545 944440113 /nfs/dbraw/zinc/44/01/13/944440113.db2.gz QREVRCCPMHAVPZ-VXKWHMMOSA-N 2 1 354.494 3.590 20 0 FHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000292354592 944458535 /nfs/dbraw/zinc/45/85/35/944458535.db2.gz CHRWKQUQCWQZLJ-UHFFFAOYSA-N 2 1 368.481 3.509 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981953 944492587 /nfs/dbraw/zinc/49/25/87/944492587.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981953 944492591 /nfs/dbraw/zinc/49/25/91/944492591.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981953 944492593 /nfs/dbraw/zinc/49/25/93/944492593.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981953 944492595 /nfs/dbraw/zinc/49/25/95/944492595.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981953 944492597 /nfs/dbraw/zinc/49/25/97/944492597.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 2 1 367.581 3.892 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846408 944537212 /nfs/dbraw/zinc/53/72/12/944537212.db2.gz XKNXLJIROCQEAB-LJQANCHMSA-N 2 1 356.913 3.956 20 0 FHADMP COc1cccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cc(F)ccc2OC)c1 ZINC000516194061 944566650 /nfs/dbraw/zinc/56/66/50/944566650.db2.gz XCPHXQPTOJHLKM-WWMYMODYSA-N 2 1 358.457 3.792 20 0 FHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000518720003 944644817 /nfs/dbraw/zinc/64/48/17/944644817.db2.gz OYGLNFSIFKRWKK-OAQYLSRUSA-N 2 1 374.573 3.592 20 0 FHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000518720003 944644828 /nfs/dbraw/zinc/64/48/28/944644828.db2.gz OYGLNFSIFKRWKK-OAQYLSRUSA-N 2 1 374.573 3.592 20 0 FHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000518720003 944644833 /nfs/dbraw/zinc/64/48/33/944644833.db2.gz OYGLNFSIFKRWKK-OAQYLSRUSA-N 2 1 374.573 3.592 20 0 FHADMP c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270471 944649346 /nfs/dbraw/zinc/64/93/46/944649346.db2.gz RNRWPVQUQMQFDM-JOCHJYFZSA-N 2 1 350.506 3.705 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000418475337 944674623 /nfs/dbraw/zinc/67/46/23/944674623.db2.gz ZBNNQTWYIBVKHH-BJLQDIEVSA-N 2 1 372.557 3.502 20 0 FHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660429198 944686150 /nfs/dbraw/zinc/68/61/50/944686150.db2.gz GUJZYLKUFMIGCT-SFHVURJKSA-N 2 1 373.541 3.518 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1O ZINC000426416046 944729143 /nfs/dbraw/zinc/72/91/43/944729143.db2.gz GLNDHVKGJUVRIE-GOSISDBHSA-N 2 1 368.521 3.760 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1O ZINC000426416046 944729147 /nfs/dbraw/zinc/72/91/47/944729147.db2.gz GLNDHVKGJUVRIE-GOSISDBHSA-N 2 1 368.521 3.760 20 0 FHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438549752 944776364 /nfs/dbraw/zinc/77/63/64/944776364.db2.gz FUDOFMAPANZCKW-HXUWFJFHSA-N 2 1 373.566 3.581 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438549244 944777320 /nfs/dbraw/zinc/77/73/20/944777320.db2.gz CPZDEIONPQTVCK-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438566923 944800870 /nfs/dbraw/zinc/80/08/70/944800870.db2.gz ACXOGVPTFNKXOV-JOCHJYFZSA-N 2 1 369.553 3.696 20 0 FHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000093683981 944887688 /nfs/dbraw/zinc/88/76/88/944887688.db2.gz GXXVHPZFGSDYKG-JOCHJYFZSA-N 2 1 368.521 3.666 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414950369 945012359 /nfs/dbraw/zinc/01/23/59/945012359.db2.gz OODZBBIYXPOQDP-KDOFPFPSSA-N 2 1 357.885 3.822 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437106109 945027215 /nfs/dbraw/zinc/02/72/15/945027215.db2.gz UUEOXFRAACTGTN-KJXAQDMKSA-N 2 1 363.549 3.795 20 0 FHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccccc1 ZINC000414952803 945027492 /nfs/dbraw/zinc/02/74/92/945027492.db2.gz QZHKXIUWJHXQDM-XLIONFOSSA-N 2 1 354.494 3.894 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000516602042 945045603 /nfs/dbraw/zinc/04/56/03/945045603.db2.gz WKQSOHFFMMPYIK-UHFFFAOYSA-N 2 1 370.884 3.614 20 0 FHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)Nc1cc(F)cc(F)c1 ZINC000660675125 945383045 /nfs/dbraw/zinc/38/30/45/945383045.db2.gz KMIOZVLLYYHOOQ-UHFFFAOYSA-N 2 1 373.447 3.548 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)CCSc2ccccc2)CC1 ZINC000660696744 945401305 /nfs/dbraw/zinc/40/13/05/945401305.db2.gz OULSRVGLPVLGRI-SFHVURJKSA-N 2 1 350.572 3.630 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000262072689 945414307 /nfs/dbraw/zinc/41/43/07/945414307.db2.gz SETCFQROAGOBLZ-QFIPXVFZSA-N 2 1 362.477 3.626 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000262072689 945414316 /nfs/dbraw/zinc/41/43/16/945414316.db2.gz SETCFQROAGOBLZ-QFIPXVFZSA-N 2 1 362.477 3.626 20 0 FHADMP C[N@H+](CCC[NH2+]Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000440338137 945435524 /nfs/dbraw/zinc/43/55/24/945435524.db2.gz IGXHJFPMBYAOBR-UHFFFAOYSA-N 2 1 352.507 3.817 20 0 FHADMP C[N@@H+](CCC[NH2+]Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000440338137 945435532 /nfs/dbraw/zinc/43/55/32/945435532.db2.gz IGXHJFPMBYAOBR-UHFFFAOYSA-N 2 1 352.507 3.817 20 0 FHADMP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967121 945519534 /nfs/dbraw/zinc/51/95/34/945519534.db2.gz CKEFCHLSACTGFW-AYHJJNSGSA-N 2 1 365.562 3.532 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112279 945529586 /nfs/dbraw/zinc/52/95/86/945529586.db2.gz CLAQYHTUKZTUGP-ZHRRBRCNSA-N 2 1 369.484 3.682 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112279 945529591 /nfs/dbraw/zinc/52/95/91/945529591.db2.gz CLAQYHTUKZTUGP-ZHRRBRCNSA-N 2 1 369.484 3.682 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654369 945622168 /nfs/dbraw/zinc/62/21/68/945622168.db2.gz SRACPBTWHCIMTB-MSOLQXFVSA-N 2 1 370.928 3.927 20 0 FHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440641818 945754582 /nfs/dbraw/zinc/75/45/82/945754582.db2.gz WRVUDQLVWMTSQR-UHFFFAOYSA-N 2 1 366.431 3.950 20 0 FHADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969931 945763577 /nfs/dbraw/zinc/76/35/77/945763577.db2.gz HWORQRNHONFZBX-VTHDOGFWSA-N 2 1 363.590 3.558 20 0 FHADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969931 945763583 /nfs/dbraw/zinc/76/35/83/945763583.db2.gz HWORQRNHONFZBX-VTHDOGFWSA-N 2 1 363.590 3.558 20 0 FHADMP COc1ccc2c(CC[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2c1 ZINC001167970532 945779168 /nfs/dbraw/zinc/77/91/68/945779168.db2.gz MJYLOSZOGIWPNT-DFNIBXOVSA-N 2 1 353.510 3.729 20 0 FHADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827547 945788879 /nfs/dbraw/zinc/78/88/79/945788879.db2.gz ZDXBEADJCSNRPH-WVUPVLJSSA-N 2 1 368.496 3.514 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1ccccc1 ZINC000111108329 945829322 /nfs/dbraw/zinc/82/93/22/945829322.db2.gz SVFUGDVSXLAYFD-NRFANRHFSA-N 2 1 369.509 3.649 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1ccccc1 ZINC000111108329 945829324 /nfs/dbraw/zinc/82/93/24/945829324.db2.gz SVFUGDVSXLAYFD-NRFANRHFSA-N 2 1 369.509 3.649 20 0 FHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519911588 945879332 /nfs/dbraw/zinc/87/93/32/945879332.db2.gz OXFSDCVCDPCWQA-VXKWHMMOSA-N 2 1 371.569 3.525 20 0 FHADMP C(C1CC1)[NH+]1CCCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167988607 945903619 /nfs/dbraw/zinc/90/36/19/945903619.db2.gz RPVHBBNLQFRICU-CBQGHPETSA-N 2 1 357.586 3.732 20 0 FHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001167988607 945903630 /nfs/dbraw/zinc/90/36/30/945903630.db2.gz RPVHBBNLQFRICU-CBQGHPETSA-N 2 1 357.586 3.732 20 0 FHADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001167988607 945903641 /nfs/dbraw/zinc/90/36/41/945903641.db2.gz RPVHBBNLQFRICU-CBQGHPETSA-N 2 1 357.586 3.732 20 0 FHADMP COc1ccc(C[NH+]2CCC(CNc3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000301701305 945922660 /nfs/dbraw/zinc/92/26/60/945922660.db2.gz SQODXUYYQWKVEK-UHFFFAOYSA-N 2 1 354.498 3.735 20 0 FHADMP Cc1nc(C)c(C)c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000301732105 945938388 /nfs/dbraw/zinc/93/83/88/945938388.db2.gz YJCRPSQOIXDELR-NHCUHLMSSA-N 2 1 350.510 3.893 20 0 FHADMP Brc1cnccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281942270 945967715 /nfs/dbraw/zinc/96/77/15/945967715.db2.gz PLMFDLBWJSPBGG-CYBMUJFWSA-N 2 1 361.287 3.761 20 0 FHADMP C[N@H+]1CCC[C@H](CNc2cc(NCC3CC3)ncn2)[C@H]1c1cccs1 ZINC000301809488 945977328 /nfs/dbraw/zinc/97/73/28/945977328.db2.gz CXTATAAZKRFYJQ-BEFAXECRSA-N 2 1 357.527 3.855 20 0 FHADMP CC1(C)C[NH+](C/C=C\C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)[C@@H]2CCC[C@H]2O1 ZINC000440946273 946042900 /nfs/dbraw/zinc/04/29/00/946042900.db2.gz UHJBJDPLMONNIG-KGTDMUDKSA-N 2 1 362.558 3.606 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891767 946065260 /nfs/dbraw/zinc/06/52/60/946065260.db2.gz HWLOVPKQKVEFIS-JQVVWYNYSA-N 2 1 371.569 3.655 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891767 946065273 /nfs/dbraw/zinc/06/52/73/946065273.db2.gz HWLOVPKQKVEFIS-JQVVWYNYSA-N 2 1 371.569 3.655 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891767 946065288 /nfs/dbraw/zinc/06/52/88/946065288.db2.gz HWLOVPKQKVEFIS-JQVVWYNYSA-N 2 1 371.569 3.655 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)cc1 ZINC000651883846 946158025 /nfs/dbraw/zinc/15/80/25/946158025.db2.gz RVLQLAXATIEFTJ-HXOBKFHXSA-N 2 1 361.489 3.708 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054817 946277907 /nfs/dbraw/zinc/27/79/07/946277907.db2.gz UIQLNLHILPFKQN-MQFRRQCYSA-N 2 1 355.570 3.988 20 0 FHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000520210467 946289876 /nfs/dbraw/zinc/28/98/76/946289876.db2.gz PWLFXYUXSUZRKG-UHFFFAOYSA-N 2 1 353.510 3.871 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185845 946306520 /nfs/dbraw/zinc/30/65/20/946306520.db2.gz BLSTXHCXIPNDKU-HJNYFJLDSA-N 2 1 374.569 3.937 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185840 946307171 /nfs/dbraw/zinc/30/71/71/946307171.db2.gz BLSTXHCXIPNDKU-CEMLEFRQSA-N 2 1 374.569 3.937 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccc(Cl)cc1 ZINC000441206534 946315926 /nfs/dbraw/zinc/31/59/26/946315926.db2.gz WWRIMLOMKDMIOO-KBAYOESNSA-N 2 1 354.947 3.616 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc2ccccc21 ZINC000441250393 946346130 /nfs/dbraw/zinc/34/61/30/946346130.db2.gz QMFOWGWYRATSPK-KJXAQDMKSA-N 2 1 368.521 3.792 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259921 946356846 /nfs/dbraw/zinc/35/68/46/946356846.db2.gz FEURSESXMYFVET-NRSPTQNISA-N 2 1 360.542 3.546 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260820 946367354 /nfs/dbraw/zinc/36/73/54/946367354.db2.gz SXXGLRVABXCFCP-NJAFHUGGSA-N 2 1 373.324 3.556 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260820 946367369 /nfs/dbraw/zinc/36/73/69/946367369.db2.gz SXXGLRVABXCFCP-NJAFHUGGSA-N 2 1 373.324 3.556 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc2ccccc2c1 ZINC000441268068 946375575 /nfs/dbraw/zinc/37/55/75/946375575.db2.gz QSGZFFHPWJUISG-PUHATCMVSA-N 2 1 368.521 3.792 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1(C)C ZINC000441332168 946464092 /nfs/dbraw/zinc/46/40/92/946464092.db2.gz LHGXCHKRWJOONO-UHFFFAOYSA-N 2 1 361.530 3.670 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000652237720 946507749 /nfs/dbraw/zinc/50/77/49/946507749.db2.gz BCRRKBDIXBITFL-SLFFLAALSA-N 2 1 355.457 3.975 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000652237720 946507775 /nfs/dbraw/zinc/50/77/75/946507775.db2.gz BCRRKBDIXBITFL-SLFFLAALSA-N 2 1 355.457 3.975 20 0 FHADMP CC[N@@H+](CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237592 946516885 /nfs/dbraw/zinc/51/68/85/946516885.db2.gz UPIGDBUZTUSFOJ-NZQKXSOJSA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@H+](CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237592 946516887 /nfs/dbraw/zinc/51/68/87/946516887.db2.gz UPIGDBUZTUSFOJ-NZQKXSOJSA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@@H+](CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237592 946516888 /nfs/dbraw/zinc/51/68/88/946516888.db2.gz UPIGDBUZTUSFOJ-NZQKXSOJSA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237592 946516894 /nfs/dbraw/zinc/51/68/94/946516894.db2.gz UPIGDBUZTUSFOJ-NZQKXSOJSA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237592 946516898 /nfs/dbraw/zinc/51/68/98/946516898.db2.gz UPIGDBUZTUSFOJ-NZQKXSOJSA-N 2 1 372.601 3.926 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475517992 946578699 /nfs/dbraw/zinc/57/86/99/946578699.db2.gz WWLQRHJVZGEUMU-NJNPRVFISA-N 2 1 369.553 3.550 20 0 FHADMP CC(C)(C)CCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824087495 946584156 /nfs/dbraw/zinc/58/41/56/946584156.db2.gz VTKBCKOQFPKQTD-UHFFFAOYSA-N 2 1 370.545 3.637 20 0 FHADMP Cc1noc(C2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168058729 946625788 /nfs/dbraw/zinc/62/57/88/946625788.db2.gz BYGVMTXVVKFXCJ-UPHUGPLXSA-N 2 1 368.525 3.999 20 0 FHADMP Cc1noc(C2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168058729 946625791 /nfs/dbraw/zinc/62/57/91/946625791.db2.gz BYGVMTXVVKFXCJ-UPHUGPLXSA-N 2 1 368.525 3.999 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCC3(C2)OCCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059912 946750537 /nfs/dbraw/zinc/75/05/37/946750537.db2.gz VTJWHEKJYXIVQG-YHELAOLJSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCC3(C2)OCCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059912 946750538 /nfs/dbraw/zinc/75/05/38/946750538.db2.gz VTJWHEKJYXIVQG-YHELAOLJSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059912 946750545 /nfs/dbraw/zinc/75/05/45/946750545.db2.gz VTJWHEKJYXIVQG-YHELAOLJSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059912 946750550 /nfs/dbraw/zinc/75/05/50/946750550.db2.gz VTJWHEKJYXIVQG-YHELAOLJSA-N 2 1 358.526 3.655 20 0 FHADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877813 946810732 /nfs/dbraw/zinc/81/07/32/946810732.db2.gz ZMNQRIACFCTGGG-RJGXRXQPSA-N 2 1 372.553 3.559 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475284516 946820714 /nfs/dbraw/zinc/82/07/14/946820714.db2.gz YKWKQHLXSFEDIX-GOSISDBHSA-N 2 1 364.518 3.817 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475284516 946820724 /nfs/dbraw/zinc/82/07/24/946820724.db2.gz YKWKQHLXSFEDIX-GOSISDBHSA-N 2 1 364.518 3.817 20 0 FHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475287416 946825091 /nfs/dbraw/zinc/82/50/91/946825091.db2.gz OJADNISDQUYALF-AZUAARDMSA-N 2 1 362.521 3.996 20 0 FHADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975045 946859166 /nfs/dbraw/zinc/85/91/66/946859166.db2.gz IYHZJHYKKMDYLM-ZWKOTPCHSA-N 2 1 357.542 3.634 20 0 FHADMP C(O[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994012 946875441 /nfs/dbraw/zinc/87/54/41/946875441.db2.gz WLROAASWGDFJKK-ONFDHFMWSA-N 2 1 358.570 3.919 20 0 FHADMP C(O[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994012 946875456 /nfs/dbraw/zinc/87/54/56/946875456.db2.gz WLROAASWGDFJKK-ONFDHFMWSA-N 2 1 358.570 3.919 20 0 FHADMP C(O[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994012 946875474 /nfs/dbraw/zinc/87/54/74/946875474.db2.gz WLROAASWGDFJKK-ONFDHFMWSA-N 2 1 358.570 3.919 20 0 FHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347797 946877981 /nfs/dbraw/zinc/87/79/81/946877981.db2.gz MHPXRUOJRNZUJW-FSZRXZPDSA-N 2 1 367.331 3.728 20 0 FHADMP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182270744 946887698 /nfs/dbraw/zinc/88/76/98/946887698.db2.gz WUDJJKGJOSRKLO-AVRDEDQJSA-N 2 1 368.521 3.891 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349020 946888226 /nfs/dbraw/zinc/88/82/26/946888226.db2.gz ZBEYQMFRYMOGQG-WOIUINJBSA-N 2 1 367.493 3.592 20 0 FHADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349621 946890580 /nfs/dbraw/zinc/89/05/80/946890580.db2.gz VWEGSEIOUWECAQ-LULLPPNCSA-N 2 1 355.482 3.621 20 0 FHADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475328827 946891610 /nfs/dbraw/zinc/89/16/10/946891610.db2.gz DXBLHQWBHFPWEJ-SZPZYZBQSA-N 2 1 358.489 3.641 20 0 FHADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475328827 946891622 /nfs/dbraw/zinc/89/16/22/946891622.db2.gz DXBLHQWBHFPWEJ-SZPZYZBQSA-N 2 1 358.489 3.641 20 0 FHADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475328827 946891627 /nfs/dbraw/zinc/89/16/27/946891627.db2.gz DXBLHQWBHFPWEJ-SZPZYZBQSA-N 2 1 358.489 3.641 20 0 FHADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475328827 946891637 /nfs/dbraw/zinc/89/16/37/946891637.db2.gz DXBLHQWBHFPWEJ-SZPZYZBQSA-N 2 1 358.489 3.641 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994677 946913321 /nfs/dbraw/zinc/91/33/21/946913321.db2.gz KBEPLRFMCXFYGZ-ZYGDZFMBSA-N 2 1 353.554 3.771 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000652355497 946916418 /nfs/dbraw/zinc/91/64/18/946916418.db2.gz ZKNDNEVGIZOJGZ-DYESRHJHSA-N 2 1 351.494 3.888 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350337 946923532 /nfs/dbraw/zinc/92/35/32/946923532.db2.gz YQZSRQJGYNXBIW-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350337 946923539 /nfs/dbraw/zinc/92/35/39/946923539.db2.gz YQZSRQJGYNXBIW-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350337 946923555 /nfs/dbraw/zinc/92/35/55/946923555.db2.gz YQZSRQJGYNXBIW-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350337 946923566 /nfs/dbraw/zinc/92/35/66/946923566.db2.gz YQZSRQJGYNXBIW-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000655711321 947013115 /nfs/dbraw/zinc/01/31/15/947013115.db2.gz HGKVZTAUBNVFQP-MRXNPFEDSA-N 2 1 354.897 3.600 20 0 FHADMP COc1cccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995803 947031021 /nfs/dbraw/zinc/03/10/21/947031021.db2.gz QJNFMSVZXCLFSS-QNLWVQNGSA-N 2 1 370.537 3.944 20 0 FHADMP COc1cccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167995803 947031028 /nfs/dbraw/zinc/03/10/28/947031028.db2.gz QJNFMSVZXCLFSS-QNLWVQNGSA-N 2 1 370.537 3.944 20 0 FHADMP COc1cccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995803 947031035 /nfs/dbraw/zinc/03/10/35/947031035.db2.gz QJNFMSVZXCLFSS-QNLWVQNGSA-N 2 1 370.537 3.944 20 0 FHADMP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC001168063886 947033736 /nfs/dbraw/zinc/03/37/36/947033736.db2.gz NSHRARXDXCAOPM-WRJHFWDFSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC001168063886 947033749 /nfs/dbraw/zinc/03/37/49/947033749.db2.gz NSHRARXDXCAOPM-WRJHFWDFSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC001168063886 947033762 /nfs/dbraw/zinc/03/37/62/947033762.db2.gz NSHRARXDXCAOPM-WRJHFWDFSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1C ZINC001168063886 947033775 /nfs/dbraw/zinc/03/37/75/947033775.db2.gz NSHRARXDXCAOPM-WRJHFWDFSA-N 2 1 358.526 3.702 20 0 FHADMP CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063829 947036310 /nfs/dbraw/zinc/03/63/10/947036310.db2.gz NNUWMWFMYULJDB-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP CCOC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063829 947036323 /nfs/dbraw/zinc/03/63/23/947036323.db2.gz NNUWMWFMYULJDB-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP CCOC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063829 947036337 /nfs/dbraw/zinc/03/63/37/947036337.db2.gz NNUWMWFMYULJDB-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444671933 947096966 /nfs/dbraw/zinc/09/69/66/947096966.db2.gz KJNPDCISTLFVAQ-XMSQKQJNSA-N 2 1 369.578 3.873 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192923548 947105386 /nfs/dbraw/zinc/10/53/86/947105386.db2.gz YJDBHSLVYXDJRG-GHTZIAJQSA-N 2 1 368.521 3.747 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000192932057 947114882 /nfs/dbraw/zinc/11/48/82/947114882.db2.gz ARACWDNJWBCAQQ-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP Cc1cc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc(C)n1 ZINC000301080797 947166159 /nfs/dbraw/zinc/16/61/59/947166159.db2.gz NRPCLTLXPHOUQZ-UHFFFAOYSA-N 2 1 364.415 3.825 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000475612261 947213632 /nfs/dbraw/zinc/21/36/32/947213632.db2.gz LQIFDYVBESNPKZ-AWEZNQCLSA-N 2 1 352.548 3.624 20 0 FHADMP CCOc1c(Cl)cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000245781455 947222452 /nfs/dbraw/zinc/22/24/52/947222452.db2.gz UJQZQXGDDRFWFI-WMLDXEAASA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245781455 947222463 /nfs/dbraw/zinc/22/24/63/947222463.db2.gz UJQZQXGDDRFWFI-WMLDXEAASA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245781455 947222472 /nfs/dbraw/zinc/22/24/72/947222472.db2.gz UJQZQXGDDRFWFI-WMLDXEAASA-N 2 1 354.922 3.909 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458058 947288806 /nfs/dbraw/zinc/28/88/06/947288806.db2.gz UIWYNXUTNIOEGN-RXVVDRJESA-N 2 1 367.537 3.560 20 0 FHADMP CC1(C)C[N@H+](Cc2cnns2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663188012 947327792 /nfs/dbraw/zinc/32/77/92/947327792.db2.gz BQQTXWWWDOPAME-IBGZPJMESA-N 2 1 356.539 3.661 20 0 FHADMP CC1(C)C[N@@H+](Cc2cnns2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663188012 947327806 /nfs/dbraw/zinc/32/78/06/947327806.db2.gz BQQTXWWWDOPAME-IBGZPJMESA-N 2 1 356.539 3.661 20 0 FHADMP CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000301433334 947341692 /nfs/dbraw/zinc/34/16/92/947341692.db2.gz QDJJKJCHOYGTEA-SJORKVTESA-N 2 1 367.493 3.701 20 0 FHADMP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000188592912 947495740 /nfs/dbraw/zinc/49/57/40/947495740.db2.gz MEMISBUKBQQFHL-WOJBJXKFSA-N 2 1 371.525 3.654 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccccc21 ZINC000523703108 947529412 /nfs/dbraw/zinc/52/94/12/947529412.db2.gz OGJGLUPXRMKWBN-IBGZPJMESA-N 2 1 368.525 3.720 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189044482 947611708 /nfs/dbraw/zinc/61/17/08/947611708.db2.gz FCCXAFNJRYMPIX-SFHVURJKSA-N 2 1 358.505 3.815 20 0 FHADMP C[N@@H+](Cc1ccc(Br)s1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248736 947671432 /nfs/dbraw/zinc/67/14/32/947671432.db2.gz IZJOVFJALSSKJB-UHFFFAOYSA-N 2 1 351.313 3.788 20 0 FHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254950 947675319 /nfs/dbraw/zinc/67/53/19/947675319.db2.gz CCOHTEBJHRKUMM-XLIONFOSSA-N 2 1 366.505 3.876 20 0 FHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662296397 947724248 /nfs/dbraw/zinc/72/42/48/947724248.db2.gz ZKBBAQLAGCWONU-SFHVURJKSA-N 2 1 355.482 3.562 20 0 FHADMP Clc1ccc([C@H]2c3ccsc3CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310412 947736354 /nfs/dbraw/zinc/73/63/54/947736354.db2.gz KBWHRHKHSUVLHX-APWZRJJASA-N 2 1 374.937 3.870 20 0 FHADMP Clc1ccc([C@H]2c3ccsc3CC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310412 947736363 /nfs/dbraw/zinc/73/63/63/947736363.db2.gz KBWHRHKHSUVLHX-APWZRJJASA-N 2 1 374.937 3.870 20 0 FHADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)c1 ZINC000662313724 947746311 /nfs/dbraw/zinc/74/63/11/947746311.db2.gz YJLRILSSRBTKJX-RHSMWYFYSA-N 2 1 351.922 3.735 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1F ZINC000662313637 947747924 /nfs/dbraw/zinc/74/79/24/947747924.db2.gz KDTZSBACXJNTKR-VQIMIIECSA-N 2 1 374.504 3.956 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCO1 ZINC000662320866 947749565 /nfs/dbraw/zinc/74/95/65/947749565.db2.gz FAIGJOYGUVEUAX-QHCPKHFHSA-N 2 1 368.521 3.808 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCO1 ZINC000662320866 947749575 /nfs/dbraw/zinc/74/95/75/947749575.db2.gz FAIGJOYGUVEUAX-QHCPKHFHSA-N 2 1 368.521 3.808 20 0 FHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324436 947751180 /nfs/dbraw/zinc/75/11/80/947751180.db2.gz YADCEEASBGOQCQ-WMLDXEAASA-N 2 1 360.420 3.689 20 0 FHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324436 947751183 /nfs/dbraw/zinc/75/11/83/947751183.db2.gz YADCEEASBGOQCQ-WMLDXEAASA-N 2 1 360.420 3.689 20 0 FHADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328645 947759294 /nfs/dbraw/zinc/75/92/94/947759294.db2.gz SMNAQRHBJWQQBA-VGSWGCGISA-N 2 1 374.573 3.651 20 0 FHADMP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327444 947759833 /nfs/dbraw/zinc/75/98/33/947759833.db2.gz JLHXPZSBDISITR-UHFFFAOYSA-N 2 1 358.917 3.910 20 0 FHADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327337 947760140 /nfs/dbraw/zinc/76/01/40/947760140.db2.gz NWAXXKDGGSYIRR-HNNXBMFYSA-N 2 1 356.489 3.956 20 0 FHADMP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000189636181 947796339 /nfs/dbraw/zinc/79/63/39/947796339.db2.gz OTWNIVWHTCMRBK-PKOBYXMFSA-N 2 1 370.459 3.724 20 0 FHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1Br ZINC000663346204 947811594 /nfs/dbraw/zinc/81/15/94/947811594.db2.gz QLIZCKMTAPHNDY-OAHLLOKOSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1Br ZINC000663346204 947811598 /nfs/dbraw/zinc/81/15/98/947811598.db2.gz QLIZCKMTAPHNDY-OAHLLOKOSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OCC(F)(F)F ZINC000663345093 947814571 /nfs/dbraw/zinc/81/45/71/947814571.db2.gz GZKAAALANMRYFN-INIZCTEOSA-N 2 1 374.422 3.978 20 0 FHADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OCC(F)(F)F ZINC000663345093 947814580 /nfs/dbraw/zinc/81/45/80/947814580.db2.gz GZKAAALANMRYFN-INIZCTEOSA-N 2 1 374.422 3.978 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663346659 947815009 /nfs/dbraw/zinc/81/50/09/947815009.db2.gz BZUONAWIXAKJHN-HXUWFJFHSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346659 947815012 /nfs/dbraw/zinc/81/50/12/947815012.db2.gz BZUONAWIXAKJHN-HXUWFJFHSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2ccncc2)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347680 947819820 /nfs/dbraw/zinc/81/98/20/947819820.db2.gz RYZPLTSRAXRHAB-OAQYLSRUSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347680 947819827 /nfs/dbraw/zinc/81/98/27/947819827.db2.gz RYZPLTSRAXRHAB-OAQYLSRUSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347680 947819830 /nfs/dbraw/zinc/81/98/30/947819830.db2.gz RYZPLTSRAXRHAB-OAQYLSRUSA-N 2 1 365.521 3.872 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359434 947847385 /nfs/dbraw/zinc/84/73/85/947847385.db2.gz LNOCAHKWMSADIS-IBGZPJMESA-N 2 1 365.521 3.855 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675984 947973950 /nfs/dbraw/zinc/97/39/50/947973950.db2.gz SDKJOGUNVJYVAZ-XOBRGWDASA-N 2 1 373.447 3.835 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675984 947973952 /nfs/dbraw/zinc/97/39/52/947973952.db2.gz SDKJOGUNVJYVAZ-XOBRGWDASA-N 2 1 373.447 3.835 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662675901 947974087 /nfs/dbraw/zinc/97/40/87/947974087.db2.gz QGEDEZUWHWMXGF-QGZVFWFLSA-N 2 1 363.505 3.959 20 0 FHADMP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000662693034 947984160 /nfs/dbraw/zinc/98/41/60/947984160.db2.gz SDQHILSEMPKQPX-HXUWFJFHSA-N 2 1 373.447 3.632 20 0 FHADMP Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000511986011 948053841 /nfs/dbraw/zinc/05/38/41/948053841.db2.gz AWKRZYRAVPNBGV-FXAWDEMLSA-N 2 1 359.539 3.771 20 0 FHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663466972 948057430 /nfs/dbraw/zinc/05/74/30/948057430.db2.gz CIHBXWQEJZZYMD-MJGOQNOKSA-N 2 1 372.557 3.989 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472204 948068897 /nfs/dbraw/zinc/06/88/97/948068897.db2.gz ZOCRYXRLRONCIC-GHTZIAJQSA-N 2 1 352.526 3.704 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472204 948068905 /nfs/dbraw/zinc/06/89/05/948068905.db2.gz ZOCRYXRLRONCIC-GHTZIAJQSA-N 2 1 352.526 3.704 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000663472204 948068916 /nfs/dbraw/zinc/06/89/16/948068916.db2.gz ZOCRYXRLRONCIC-GHTZIAJQSA-N 2 1 352.526 3.704 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778215 948076607 /nfs/dbraw/zinc/07/66/07/948076607.db2.gz SACAILLXKLIKKA-OCCSQVGLSA-N 2 1 352.347 3.871 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821146 948078296 /nfs/dbraw/zinc/07/82/96/948078296.db2.gz BVLDFHMROGMSIT-FXAWDEMLSA-N 2 1 363.571 3.687 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824227 948104057 /nfs/dbraw/zinc/10/40/57/948104057.db2.gz CTOKMZMXKSOMHN-ROUUACIJSA-N 2 1 355.567 3.734 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001167824264 948106793 /nfs/dbraw/zinc/10/67/93/948106793.db2.gz GKDCVOFVVWGKDM-IPMKNSEASA-N 2 1 364.603 3.550 20 0 FHADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)ccc1SC(F)F ZINC000178522663 948117423 /nfs/dbraw/zinc/11/74/23/948117423.db2.gz BXRMXQJHQFSKCB-ZDUSSCGKSA-N 2 1 374.497 3.507 20 0 FHADMP CCOC(=O)c1cc2c(s1)CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167825530 948119187 /nfs/dbraw/zinc/11/91/87/948119187.db2.gz JVFDTGGPRXZHCP-OAHLLOKOSA-N 2 1 352.544 3.793 20 0 FHADMP Cc1cccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168001802 948130488 /nfs/dbraw/zinc/13/04/88/948130488.db2.gz HXRGRUKOZMLENW-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001168001802 948130491 /nfs/dbraw/zinc/13/04/91/948130491.db2.gz HXRGRUKOZMLENW-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001168001802 948130496 /nfs/dbraw/zinc/13/04/96/948130496.db2.gz HXRGRUKOZMLENW-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827024 948134686 /nfs/dbraw/zinc/13/46/86/948134686.db2.gz RLILMRDYTXAXTK-YLJYHZDGSA-N 2 1 363.571 3.687 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001167827286 948141302 /nfs/dbraw/zinc/14/13/02/948141302.db2.gz VPXGFDCKJFGPAF-QGZVFWFLSA-N 2 1 355.567 3.828 20 0 FHADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527393 948169850 /nfs/dbraw/zinc/16/98/50/948169850.db2.gz MCDJUABCFKLOOA-AMIZOPFISA-N 2 1 351.210 3.856 20 0 FHADMP C[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527395 948170719 /nfs/dbraw/zinc/17/07/19/948170719.db2.gz MCDJUABCFKLOOA-OQPBUACISA-N 2 1 351.210 3.856 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001167833367 948220980 /nfs/dbraw/zinc/22/09/80/948220980.db2.gz AJTYVMXPDHSBNM-QUCCMNQESA-N 2 1 350.547 3.950 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001167833424 948224114 /nfs/dbraw/zinc/22/41/14/948224114.db2.gz BCDCIFMHZPFNSJ-OKZBNKHCSA-N 2 1 355.567 3.875 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001167833441 948225041 /nfs/dbraw/zinc/22/50/41/948225041.db2.gz BJVBSJNWBSDAKO-AZUAARDMSA-N 2 1 357.542 3.617 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167833583 948229316 /nfs/dbraw/zinc/22/93/16/948229316.db2.gz CSMHGSFZTLFHJI-MSOLQXFVSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167833946 948242209 /nfs/dbraw/zinc/24/22/09/948242209.db2.gz GGMGZINNHDLRPV-KZNAEPCWSA-N 2 1 355.567 3.732 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624380 948256291 /nfs/dbraw/zinc/25/62/91/948256291.db2.gz JGATYKZOBMKTBM-DWJNZPNVSA-N 2 1 350.506 3.535 20 0 FHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)s1 ZINC000512037029 948257143 /nfs/dbraw/zinc/25/71/43/948257143.db2.gz DFONFRLMNYQNGF-IBGZPJMESA-N 2 1 359.539 3.779 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001167837776 948311632 /nfs/dbraw/zinc/31/16/32/948311632.db2.gz MOCDMMBVQZTVFH-VJANTYMQSA-N 2 1 352.563 3.939 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001167839549 948315786 /nfs/dbraw/zinc/31/57/86/948315786.db2.gz ZYPAMRMZLMXOSN-FHWLQOOXSA-N 2 1 367.578 3.686 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417702 948369973 /nfs/dbraw/zinc/36/99/73/948369973.db2.gz NSZGHBFNRQZTFS-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCCO1 ZINC000432417702 948369977 /nfs/dbraw/zinc/36/99/77/948369977.db2.gz NSZGHBFNRQZTFS-QAPCUYQASA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1Br ZINC000279010155 948394958 /nfs/dbraw/zinc/39/49/58/948394958.db2.gz STKARCWDJNODHN-RYUDHWBXSA-N 2 1 352.251 3.698 20 0 FHADMP Cc1cc(F)ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004752 948395987 /nfs/dbraw/zinc/39/59/87/948395987.db2.gz YIWCFNSMNHISNH-WCRBZPEASA-N 2 1 357.517 3.662 20 0 FHADMP Cc1cc(F)ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004752 948395993 /nfs/dbraw/zinc/39/59/93/948395993.db2.gz YIWCFNSMNHISNH-WCRBZPEASA-N 2 1 357.517 3.662 20 0 FHADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152375036 948438261 /nfs/dbraw/zinc/43/82/61/948438261.db2.gz YRFSCSKDHLRIMY-PKOBYXMFSA-N 2 1 352.526 3.932 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005035 948440197 /nfs/dbraw/zinc/44/01/97/948440197.db2.gz FAAXSVDSPIOOPJ-IZZQQSIFSA-N 2 1 373.541 3.637 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005035 948440200 /nfs/dbraw/zinc/44/02/00/948440200.db2.gz FAAXSVDSPIOOPJ-IZZQQSIFSA-N 2 1 373.541 3.637 20 0 FHADMP CC[NH+](CC)CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000520629742 948447592 /nfs/dbraw/zinc/44/75/92/948447592.db2.gz AQIXANWZWDFQJQ-UHFFFAOYSA-N 2 1 360.546 3.914 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1F ZINC000279065514 948451634 /nfs/dbraw/zinc/45/16/34/948451634.db2.gz ZPDBZFVUIGOBKW-RYUDHWBXSA-N 2 1 352.251 3.698 20 0 FHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC000512135095 948514314 /nfs/dbraw/zinc/51/43/14/948514314.db2.gz FJKVRENFVOJTQM-IHWYPQMZSA-N 2 1 371.475 3.515 20 0 FHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000152398909 948515288 /nfs/dbraw/zinc/51/52/88/948515288.db2.gz SLOKJVCFNASNTE-MIFQDEPSSA-N 2 1 369.553 3.775 20 0 FHADMP c1ccc(CC2CC[NH+](CCCC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247155772 948554031 /nfs/dbraw/zinc/55/40/31/948554031.db2.gz XMHCUKQOHFUEBE-ZEQRLZLVSA-N 3 1 369.597 3.938 20 0 FHADMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663693895 948650048 /nfs/dbraw/zinc/65/00/48/948650048.db2.gz BMFBESWEDWJTKF-PKOBYXMFSA-N 2 1 369.484 3.655 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484736 948730827 /nfs/dbraw/zinc/73/08/27/948730827.db2.gz CYJRYGWBBLYNKY-LJQANCHMSA-N 2 1 371.569 3.668 20 0 FHADMP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)CC2 ZINC000162739742 948763393 /nfs/dbraw/zinc/76/33/93/948763393.db2.gz AWEUAKHWDYGOOX-OAQYLSRUSA-N 2 1 369.509 3.789 20 0 FHADMP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000563097500 568149979 /nfs/dbraw/zinc/14/99/79/568149979.db2.gz VICXGNQXXCMPQR-SFHVURJKSA-N 2 1 372.340 3.592 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000563117070 568220281 /nfs/dbraw/zinc/22/02/81/568220281.db2.gz SLOYUFKLPRZPEN-JOCHJYFZSA-N 2 1 365.521 3.663 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1O ZINC000365243359 568355090 /nfs/dbraw/zinc/35/50/90/568355090.db2.gz QGUQRQZCPJLBMG-QGZVFWFLSA-N 2 1 369.509 3.684 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429630 568430088 /nfs/dbraw/zinc/43/00/88/568430088.db2.gz PUSCSENKFXCOSG-PBHICJAKSA-N 2 1 354.947 3.967 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CCCO1 ZINC000432429630 568430090 /nfs/dbraw/zinc/43/00/90/568430090.db2.gz PUSCSENKFXCOSG-PBHICJAKSA-N 2 1 354.947 3.967 20 0 FHADMP CC1(C)CN(C(=O)c2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000605126893 568579878 /nfs/dbraw/zinc/57/98/78/568579878.db2.gz WSWHJAONDVYXJY-UHFFFAOYSA-N 2 1 374.488 3.609 20 0 FHADMP CC1(C)CN(C(=O)c2cccc(-n3ccnc3)c2)CCN1Cc1ccccc1 ZINC000605126893 568579879 /nfs/dbraw/zinc/57/98/79/568579879.db2.gz WSWHJAONDVYXJY-UHFFFAOYSA-N 2 1 374.488 3.609 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@@H]21 ZINC001165026582 721801959 /nfs/dbraw/zinc/80/19/59/721801959.db2.gz RHLZPJDUZKBEGD-NBHGPNQESA-N 2 1 361.493 3.695 20 0 FHADMP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001165053116 722003490 /nfs/dbraw/zinc/00/34/90/722003490.db2.gz JHRAXFHHSOWDAC-UHFFFAOYSA-N 2 1 363.509 3.790 20 0 FHADMP C[C@@H](O)C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000121519044 936328537 /nfs/dbraw/zinc/32/85/37/936328537.db2.gz QPKOPNQDJJTVEM-NFBKMPQASA-N 2 1 366.549 3.838 20 0 FHADMP C[N@@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C1CCCCC1 ZINC001204599333 936344878 /nfs/dbraw/zinc/34/48/78/936344878.db2.gz WZWSIWAAZLAOOJ-UHFFFAOYSA-N 2 1 366.347 3.623 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583005202 936365768 /nfs/dbraw/zinc/36/57/68/936365768.db2.gz ORZZVLPOKNWWMJ-RJCAOGMDSA-N 2 1 369.431 3.637 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583024789 936378675 /nfs/dbraw/zinc/37/86/75/936378675.db2.gz JUGLKRQQZJZGAU-FQEVSTJZSA-N 2 1 358.917 3.718 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583024789 936378682 /nfs/dbraw/zinc/37/86/82/936378682.db2.gz JUGLKRQQZJZGAU-FQEVSTJZSA-N 2 1 358.917 3.718 20 0 FHADMP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC(C)(C)C ZINC000588938977 936378990 /nfs/dbraw/zinc/37/89/90/936378990.db2.gz NFSURSZKQNLVNI-GOSISDBHSA-N 2 1 365.949 3.571 20 0 FHADMP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC(C)(C)C ZINC000588938977 936378997 /nfs/dbraw/zinc/37/89/97/936378997.db2.gz NFSURSZKQNLVNI-GOSISDBHSA-N 2 1 365.949 3.571 20 0 FHADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000104086558 927090025 /nfs/dbraw/zinc/09/00/25/927090025.db2.gz LWNCYKACMJBAKE-UHFFFAOYSA-N 2 1 360.933 3.667 20 0 FHADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000104086558 927090044 /nfs/dbraw/zinc/09/00/44/927090044.db2.gz LWNCYKACMJBAKE-UHFFFAOYSA-N 2 1 360.933 3.667 20 0 FHADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776685 927388299 /nfs/dbraw/zinc/38/82/99/927388299.db2.gz ZNBASJDDOFADJS-QAPCUYQASA-N 2 1 358.448 3.635 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546293 927426518 /nfs/dbraw/zinc/42/65/18/927426518.db2.gz LYRKJXQDZQTRGA-ZBFHGGJFSA-N 2 1 365.315 3.927 20 0 FHADMP CC[NH+](CC)CCC[NH+]1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000683140759 927436957 /nfs/dbraw/zinc/43/69/57/927436957.db2.gz FOKMEYUABGZQLD-UHFFFAOYSA-N 2 1 364.530 3.624 20 0 FHADMP CC[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072561 927674200 /nfs/dbraw/zinc/67/42/00/927674200.db2.gz PTOSWPLHVBREOT-HMXCVIKNSA-N 2 1 359.558 3.524 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CCN1C ZINC000123596854 928050285 /nfs/dbraw/zinc/05/02/85/928050285.db2.gz HHGQTNOURWEPBB-CHWSQXEVSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123596854 928050299 /nfs/dbraw/zinc/05/02/99/928050299.db2.gz HHGQTNOURWEPBB-CHWSQXEVSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123596854 928050314 /nfs/dbraw/zinc/05/03/14/928050314.db2.gz HHGQTNOURWEPBB-CHWSQXEVSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123596854 928050330 /nfs/dbraw/zinc/05/03/30/928050330.db2.gz HHGQTNOURWEPBB-CHWSQXEVSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123596854 928050346 /nfs/dbraw/zinc/05/03/46/928050346.db2.gz HHGQTNOURWEPBB-CHWSQXEVSA-N 2 1 358.313 3.737 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606064 928232625 /nfs/dbraw/zinc/23/26/25/928232625.db2.gz DOJPFIIXPABUIJ-RXVVDRJESA-N 2 1 365.562 3.584 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606064 928232635 /nfs/dbraw/zinc/23/26/35/928232635.db2.gz DOJPFIIXPABUIJ-RXVVDRJESA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606064 928232644 /nfs/dbraw/zinc/23/26/44/928232644.db2.gz DOJPFIIXPABUIJ-RXVVDRJESA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606064 928232652 /nfs/dbraw/zinc/23/26/52/928232652.db2.gz DOJPFIIXPABUIJ-RXVVDRJESA-N 2 1 365.562 3.584 20 0 FHADMP CCN1CC[C@H]([NH2+]CCC[NH+](CC)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000583207472 937238012 /nfs/dbraw/zinc/23/80/12/937238012.db2.gz QZXDDAMEYCQERC-PKOBYXMFSA-N 2 1 357.464 3.561 20 0 FHADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229360 928392539 /nfs/dbraw/zinc/39/25/39/928392539.db2.gz GXFMEWWORSRHLH-VQTJNVASSA-N 2 1 358.551 3.950 20 0 FHADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229360 928392554 /nfs/dbraw/zinc/39/25/54/928392554.db2.gz GXFMEWWORSRHLH-VQTJNVASSA-N 2 1 358.551 3.950 20 0 FHADMP Cc1noc(C)c1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000535964235 937245064 /nfs/dbraw/zinc/24/50/64/937245064.db2.gz SUWYOYPGSXNCRX-QFIPXVFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000535964235 937245068 /nfs/dbraw/zinc/24/50/68/937245068.db2.gz SUWYOYPGSXNCRX-QFIPXVFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000535964235 937245070 /nfs/dbraw/zinc/24/50/70/937245070.db2.gz SUWYOYPGSXNCRX-QFIPXVFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000535964235 937245074 /nfs/dbraw/zinc/24/50/74/937245074.db2.gz SUWYOYPGSXNCRX-QFIPXVFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000535964233 937245196 /nfs/dbraw/zinc/24/51/96/937245196.db2.gz SUWYOYPGSXNCRX-JOCHJYFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000535964233 937245199 /nfs/dbraw/zinc/24/51/99/937245199.db2.gz SUWYOYPGSXNCRX-JOCHJYFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000535964233 937245202 /nfs/dbraw/zinc/24/52/02/937245202.db2.gz SUWYOYPGSXNCRX-JOCHJYFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1noc(C)c1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000535964233 937245205 /nfs/dbraw/zinc/24/52/05/937245205.db2.gz SUWYOYPGSXNCRX-JOCHJYFZSA-N 2 1 353.510 3.822 20 0 FHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157682980 928430326 /nfs/dbraw/zinc/43/03/26/928430326.db2.gz PAPFVHYAAMTGRJ-MBSDFSHPSA-N 2 1 369.553 3.511 20 0 FHADMP CC[C@@H]1c2ccccc2CN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000890615068 928581960 /nfs/dbraw/zinc/58/19/60/928581960.db2.gz PEOPLBVSOWYZBM-JOCHJYFZSA-N 2 1 369.553 3.676 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccnc3Cl)CC2)oc1C ZINC000162742079 937274529 /nfs/dbraw/zinc/27/45/29/937274529.db2.gz SDTRFXATUZTUNE-CQSZACIVSA-N 2 1 362.905 3.903 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154484500 928860938 /nfs/dbraw/zinc/86/09/38/928860938.db2.gz URBHEDGPMYTKCO-GOSISDBHSA-N 2 1 367.990 3.884 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154495225 928861382 /nfs/dbraw/zinc/86/13/82/928861382.db2.gz UZKFYRZZBUDINL-ZWKOTPCHSA-N 2 1 374.598 3.796 20 0 FHADMP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894907 928907354 /nfs/dbraw/zinc/90/73/54/928907354.db2.gz WZNMPYTYLCYFFO-MXSMSXNCSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894907 928907362 /nfs/dbraw/zinc/90/73/62/928907362.db2.gz WZNMPYTYLCYFFO-MXSMSXNCSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894907 928907370 /nfs/dbraw/zinc/90/73/70/928907370.db2.gz WZNMPYTYLCYFFO-MXSMSXNCSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)C(F)(F)F ZINC001208894907 928907376 /nfs/dbraw/zinc/90/73/76/928907376.db2.gz WZNMPYTYLCYFFO-MXSMSXNCSA-N 2 1 355.448 3.812 20 0 FHADMP CCC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000179658562 928914814 /nfs/dbraw/zinc/91/48/14/928914814.db2.gz SIVMGSPKCCESES-QFIPXVFZSA-N 2 1 371.569 3.620 20 0 FHADMP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274978090 929095653 /nfs/dbraw/zinc/09/56/53/929095653.db2.gz YYKBHOAFCWHVGH-PMOQBDJRSA-N 2 1 352.522 3.653 20 0 FHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000180113662 929378550 /nfs/dbraw/zinc/37/85/50/929378550.db2.gz GNXKOIBWEBJZCW-UHFFFAOYSA-N 2 1 369.509 3.830 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180131371 929379387 /nfs/dbraw/zinc/37/93/87/929379387.db2.gz HWUCCMSUVPOKQL-UTKZUKDTSA-N 2 1 358.505 3.750 20 0 FHADMP CC1(C)CC(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC(C)(C)[NH2+]1 ZINC000180157362 929409014 /nfs/dbraw/zinc/40/90/14/929409014.db2.gz IAQWBIPVEBNOGE-HLAWJBBLSA-N 2 1 355.570 3.796 20 0 FHADMP CC1(C)CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC(C)(C)[NH2+]1 ZINC000180157362 929409022 /nfs/dbraw/zinc/40/90/22/929409022.db2.gz IAQWBIPVEBNOGE-HLAWJBBLSA-N 3 1 355.570 3.796 20 0 FHADMP CC1(C)CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC(C)(C)[NH2+]1 ZINC000180157362 929409031 /nfs/dbraw/zinc/40/90/31/929409031.db2.gz IAQWBIPVEBNOGE-HLAWJBBLSA-N 3 1 355.570 3.796 20 0 FHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196398 929413318 /nfs/dbraw/zinc/41/33/18/929413318.db2.gz VQXKUHNHDTZOQQ-ZFWWWQNUSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196398 929413328 /nfs/dbraw/zinc/41/33/28/929413328.db2.gz VQXKUHNHDTZOQQ-ZFWWWQNUSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196398 929413336 /nfs/dbraw/zinc/41/33/36/929413336.db2.gz VQXKUHNHDTZOQQ-ZFWWWQNUSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196398 929413346 /nfs/dbraw/zinc/41/33/46/929413346.db2.gz VQXKUHNHDTZOQQ-ZFWWWQNUSA-N 2 1 362.315 3.912 20 0 FHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000150883614 937331568 /nfs/dbraw/zinc/33/15/68/937331568.db2.gz LJZDKPJGRFVGCH-SFHVURJKSA-N 2 1 363.509 3.960 20 0 FHADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180451173 929513172 /nfs/dbraw/zinc/51/31/72/929513172.db2.gz ZYSNOIIGWUABCL-QFIPXVFZSA-N 2 1 366.484 3.890 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180451173 929513185 /nfs/dbraw/zinc/51/31/85/929513185.db2.gz ZYSNOIIGWUABCL-QFIPXVFZSA-N 2 1 366.484 3.890 20 0 FHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736295 929691377 /nfs/dbraw/zinc/69/13/77/929691377.db2.gz WJOMDMRTGZCXEI-FQEVSTJZSA-N 2 1 359.558 3.994 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736295 929691380 /nfs/dbraw/zinc/69/13/80/929691380.db2.gz WJOMDMRTGZCXEI-FQEVSTJZSA-N 2 1 359.558 3.994 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736295 929691394 /nfs/dbraw/zinc/69/13/94/929691394.db2.gz WJOMDMRTGZCXEI-FQEVSTJZSA-N 2 1 359.558 3.994 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000651966626 929733000 /nfs/dbraw/zinc/73/30/00/929733000.db2.gz VLTWHEIHXJMGJM-MSYGRNIXSA-N 2 1 365.521 3.944 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000651966626 929733007 /nfs/dbraw/zinc/73/30/07/929733007.db2.gz VLTWHEIHXJMGJM-MSYGRNIXSA-N 2 1 365.521 3.944 20 0 FHADMP Cc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691584 929808968 /nfs/dbraw/zinc/80/89/68/929808968.db2.gz ZMSOIZSJBMVYPS-ADYITMSISA-N 2 1 350.506 3.814 20 0 FHADMP Cc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691584 929808972 /nfs/dbraw/zinc/80/89/72/929808972.db2.gz ZMSOIZSJBMVYPS-ADYITMSISA-N 2 1 350.506 3.814 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608087 929939444 /nfs/dbraw/zinc/93/94/44/929939444.db2.gz ZFALOEFGVDQNMX-SIKLNZKXSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608087 929939453 /nfs/dbraw/zinc/93/94/53/929939453.db2.gz ZFALOEFGVDQNMX-SIKLNZKXSA-N 2 1 360.505 3.873 20 0 FHADMP Fc1ccc2[nH]c(NCc3ccc(OCC[NH+]4CCCC4)cc3)[nH+]c2c1 ZINC000683752042 930028247 /nfs/dbraw/zinc/02/82/47/930028247.db2.gz WAWZPAZFMPRJTO-UHFFFAOYSA-N 2 1 354.429 3.789 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371281 930174094 /nfs/dbraw/zinc/17/40/94/930174094.db2.gz FMCWOIFANWRIRG-WBVHZDCISA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371281 930174096 /nfs/dbraw/zinc/17/40/96/930174096.db2.gz FMCWOIFANWRIRG-WBVHZDCISA-N 2 1 353.913 3.640 20 0 FHADMP C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000580127477 930287401 /nfs/dbraw/zinc/28/74/01/930287401.db2.gz NOFGYHGQCRNYFC-UHFFFAOYSA-N 2 1 366.431 3.665 20 0 FHADMP CSc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000580134410 930288205 /nfs/dbraw/zinc/28/82/05/930288205.db2.gz AUVZOQBJAAYOMP-SFHVURJKSA-N 2 1 361.580 3.548 20 0 FHADMP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000312735748 930367297 /nfs/dbraw/zinc/36/72/97/930367297.db2.gz WWPCZDUQWIPEEY-DEOSSOPVSA-N 2 1 363.549 3.558 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000156245020 937414298 /nfs/dbraw/zinc/41/42/98/937414298.db2.gz SOHIUPIAUMFGOR-KRWDZBQOSA-N 2 1 361.493 3.895 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000275824708 930485090 /nfs/dbraw/zinc/48/50/90/930485090.db2.gz HBSVTNFBZNUDIK-MANSERQUSA-N 2 1 370.459 3.580 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000275824708 930485095 /nfs/dbraw/zinc/48/50/95/930485095.db2.gz HBSVTNFBZNUDIK-MANSERQUSA-N 2 1 370.459 3.580 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000275824716 930485141 /nfs/dbraw/zinc/48/51/41/930485141.db2.gz HBSVTNFBZNUDIK-RDGPPVDQSA-N 2 1 370.459 3.580 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000275824716 930485142 /nfs/dbraw/zinc/48/51/42/930485142.db2.gz HBSVTNFBZNUDIK-RDGPPVDQSA-N 2 1 370.459 3.580 20 0 FHADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252476467 930810071 /nfs/dbraw/zinc/81/00/71/930810071.db2.gz YOCQIGFQYWNCAR-QEJZJMRPSA-N 2 1 353.304 3.735 20 0 FHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000119292422 931056759 /nfs/dbraw/zinc/05/67/59/931056759.db2.gz IIZZGXVWNPNILE-YLJYHZDGSA-N 2 1 360.542 3.627 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000119292422 931056766 /nfs/dbraw/zinc/05/67/66/931056766.db2.gz IIZZGXVWNPNILE-YLJYHZDGSA-N 2 1 360.542 3.627 20 0 FHADMP CCc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1C ZINC000580842681 931259203 /nfs/dbraw/zinc/25/92/03/931259203.db2.gz OGRVWAPLSUOWFE-UHFFFAOYSA-N 2 1 357.542 3.692 20 0 FHADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000580943679 931385422 /nfs/dbraw/zinc/38/54/22/931385422.db2.gz MWCZJIOLIAMTSR-FQEVSTJZSA-N 2 1 374.594 3.791 20 0 FHADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000580943680 931385917 /nfs/dbraw/zinc/38/59/17/931385917.db2.gz MWCZJIOLIAMTSR-HXUWFJFHSA-N 2 1 374.594 3.791 20 0 FHADMP c1nc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403526 931591884 /nfs/dbraw/zinc/59/18/84/931591884.db2.gz BLOZFPTZZXSKFG-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403526 931591892 /nfs/dbraw/zinc/59/18/92/931591892.db2.gz BLOZFPTZZXSKFG-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403526 931591897 /nfs/dbraw/zinc/59/18/97/931591897.db2.gz BLOZFPTZZXSKFG-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000656403526 931591903 /nfs/dbraw/zinc/59/19/03/931591903.db2.gz BLOZFPTZZXSKFG-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOc2ccccc2)cc1 ZINC000656406682 931603395 /nfs/dbraw/zinc/60/33/95/931603395.db2.gz VXAODDJTKGHXQT-IGABQKFOSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOc2ccccc2)cc1 ZINC000656406682 931603397 /nfs/dbraw/zinc/60/33/97/931603397.db2.gz VXAODDJTKGHXQT-IGABQKFOSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOc2ccccc2)cc1 ZINC000656406682 931603399 /nfs/dbraw/zinc/60/33/99/931603399.db2.gz VXAODDJTKGHXQT-IGABQKFOSA-N 2 1 362.517 3.908 20 0 FHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430541980 931718532 /nfs/dbraw/zinc/71/85/32/931718532.db2.gz JMFUQQSUEAGMGR-UHFFFAOYSA-N 2 1 367.493 3.739 20 0 FHADMP CC[C@@H]1CCCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167454295 931831030 /nfs/dbraw/zinc/83/10/30/931831030.db2.gz SDGVYXKBPFJLAC-JOCHJYFZSA-N 2 1 371.569 3.684 20 0 FHADMP CC[C@@H]1CCCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001167454295 931831032 /nfs/dbraw/zinc/83/10/32/931831032.db2.gz SDGVYXKBPFJLAC-JOCHJYFZSA-N 2 1 371.569 3.684 20 0 FHADMP CC[C@@H]1CCCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001167454295 931831035 /nfs/dbraw/zinc/83/10/35/931831035.db2.gz SDGVYXKBPFJLAC-JOCHJYFZSA-N 2 1 371.569 3.684 20 0 FHADMP COc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548160162 931929785 /nfs/dbraw/zinc/92/97/85/931929785.db2.gz CFZOCMYZGWYPTJ-PGRDOPGGSA-N 2 1 354.494 3.574 20 0 FHADMP COc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548160162 931929789 /nfs/dbraw/zinc/92/97/89/931929789.db2.gz CFZOCMYZGWYPTJ-PGRDOPGGSA-N 2 1 354.494 3.574 20 0 FHADMP C[N@@H+](Cc1csc(Br)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000123935821 931978466 /nfs/dbraw/zinc/97/84/66/931978466.db2.gz IKYDXSQSUAMNMQ-UHFFFAOYSA-N 2 1 351.313 3.788 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000581596082 932291773 /nfs/dbraw/zinc/29/17/73/932291773.db2.gz RYCGATVQKOQZGU-UGKGYDQZSA-N 2 1 371.569 3.586 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167192 932303234 /nfs/dbraw/zinc/30/32/34/932303234.db2.gz WHEJFVHFOLNJQN-VQTJNVASSA-N 2 1 364.489 3.613 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167192 932303241 /nfs/dbraw/zinc/30/32/41/932303241.db2.gz WHEJFVHFOLNJQN-VQTJNVASSA-N 2 1 364.489 3.613 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccsc2)c1)C1CCOCC1 ZINC000076399915 932377012 /nfs/dbraw/zinc/37/70/12/932377012.db2.gz FJIBHQTXKXHURL-UHFFFAOYSA-N 2 1 360.523 3.528 20 0 FHADMP COc1sc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656782794 932411686 /nfs/dbraw/zinc/41/16/86/932411686.db2.gz JTNNSVZCEPSGDG-CYBMUJFWSA-N 2 1 373.360 3.731 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1I ZINC000564455567 932439406 /nfs/dbraw/zinc/43/94/06/932439406.db2.gz ZXILVDOLMVSCKU-LBPRGKRZSA-N 2 1 366.246 3.601 20 0 FHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214458 932898141 /nfs/dbraw/zinc/89/81/41/932898141.db2.gz SQIMPILONSDVPP-HNNXBMFYSA-N 2 1 371.447 3.698 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214458 932898143 /nfs/dbraw/zinc/89/81/43/932898143.db2.gz SQIMPILONSDVPP-HNNXBMFYSA-N 2 1 371.447 3.698 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845732 933121100 /nfs/dbraw/zinc/12/11/00/933121100.db2.gz LQFGKAVPVUAXSP-MOPGFXCFSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845732 933121105 /nfs/dbraw/zinc/12/11/05/933121105.db2.gz LQFGKAVPVUAXSP-MOPGFXCFSA-N 2 1 366.465 3.502 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@@H+]1C ZINC000430751412 933203070 /nfs/dbraw/zinc/20/30/70/933203070.db2.gz WAXNTIKNGASZES-NMFUWQPSSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@H+]1C ZINC000430751412 933203075 /nfs/dbraw/zinc/20/30/75/933203075.db2.gz WAXNTIKNGASZES-NMFUWQPSSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430963522 933510268 /nfs/dbraw/zinc/51/02/68/933510268.db2.gz AAKBMXWHLUUSCY-JENIJYKNSA-N 2 1 351.494 3.740 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430963522 933510269 /nfs/dbraw/zinc/51/02/69/933510269.db2.gz AAKBMXWHLUUSCY-JENIJYKNSA-N 2 1 351.494 3.740 20 0 FHADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431055400 933745298 /nfs/dbraw/zinc/74/52/98/933745298.db2.gz HUPHJPJUCUGVBL-OAQYLSRUSA-N 2 1 367.493 3.710 20 0 FHADMP CCC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000431065369 933755938 /nfs/dbraw/zinc/75/59/38/933755938.db2.gz IREDCYAKZZFALR-UHFFFAOYSA-N 2 1 351.494 3.903 20 0 FHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000092165572 933970527 /nfs/dbraw/zinc/97/05/27/933970527.db2.gz GSJWZKXEOTWWEV-UHFFFAOYSA-N 2 1 374.447 3.943 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000092165572 933970532 /nfs/dbraw/zinc/97/05/32/933970532.db2.gz GSJWZKXEOTWWEV-UHFFFAOYSA-N 2 1 374.447 3.943 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180974312 934465437 /nfs/dbraw/zinc/46/54/37/934465437.db2.gz DPEATCTVGINMHL-UTKZUKDTSA-N 2 1 358.505 3.606 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510987022 934467679 /nfs/dbraw/zinc/46/76/79/934467679.db2.gz QPLKEJILZIRXNN-TZIWHRDSSA-N 2 1 352.526 3.688 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510987022 934467683 /nfs/dbraw/zinc/46/76/83/934467683.db2.gz QPLKEJILZIRXNN-TZIWHRDSSA-N 2 1 352.526 3.688 20 0 FHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000277124744 934538058 /nfs/dbraw/zinc/53/80/58/934538058.db2.gz IBJKITICPQOZHT-AWEZNQCLSA-N 2 1 358.313 3.738 20 0 FHADMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2c1 ZINC000074721472 934566621 /nfs/dbraw/zinc/56/66/21/934566621.db2.gz RQGGXQXRLHALRE-KRWDZBQOSA-N 2 1 354.494 3.718 20 0 FHADMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2c1 ZINC000074721472 934566630 /nfs/dbraw/zinc/56/66/30/934566630.db2.gz RQGGXQXRLHALRE-KRWDZBQOSA-N 2 1 354.494 3.718 20 0 FHADMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c2c1 ZINC000074721472 934566635 /nfs/dbraw/zinc/56/66/35/934566635.db2.gz RQGGXQXRLHALRE-KRWDZBQOSA-N 2 1 354.494 3.718 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181210571 934600635 /nfs/dbraw/zinc/60/06/35/934600635.db2.gz WMUWYBUQQGLIIA-KRWDZBQOSA-N 2 1 359.514 3.959 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000236727568 934768546 /nfs/dbraw/zinc/76/85/46/934768546.db2.gz AFRCQTQXQOIBEA-OAQYLSRUSA-N 2 1 353.510 3.625 20 0 FHADMP CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236756327 934770581 /nfs/dbraw/zinc/77/05/81/934770581.db2.gz VQQRYMONIDTYSQ-QFIPXVFZSA-N 2 1 365.521 3.662 20 0 FHADMP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000277382345 935047039 /nfs/dbraw/zinc/04/70/39/935047039.db2.gz XTRKHTYYOQEPSI-HRCADAONSA-N 2 1 359.518 3.670 20 0 FHADMP CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060877123 935049726 /nfs/dbraw/zinc/04/97/26/935049726.db2.gz QYMWJMWKJCSPQK-NRFANRHFSA-N 2 1 371.569 3.799 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000657311229 935086558 /nfs/dbraw/zinc/08/65/58/935086558.db2.gz IMBXVPPETTXKMJ-AWEZNQCLSA-N 2 1 354.336 3.897 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657313934 935131808 /nfs/dbraw/zinc/13/18/08/935131808.db2.gz XPPRHPUKSQJWLU-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657313575 935142101 /nfs/dbraw/zinc/14/21/01/935142101.db2.gz KHMPNQKXIJPQPS-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1ccnc1 ZINC000563236900 935197471 /nfs/dbraw/zinc/19/74/71/935197471.db2.gz AEEMAVKIHVFJSU-CEXWTWQISA-N 2 1 368.525 3.629 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000157857245 935213188 /nfs/dbraw/zinc/21/31/88/935213188.db2.gz PWYSEVHMPFZGRT-MSOLQXFVSA-N 2 1 359.514 3.948 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)[nH]c2c1 ZINC000657329260 935231080 /nfs/dbraw/zinc/23/10/80/935231080.db2.gz KJXSRAYCXGEMRH-GOSISDBHSA-N 2 1 363.505 3.987 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)[nH]c2c1 ZINC000657329260 935231084 /nfs/dbraw/zinc/23/10/84/935231084.db2.gz KJXSRAYCXGEMRH-GOSISDBHSA-N 2 1 363.505 3.987 20 0 FHADMP CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC001207283686 935470590 /nfs/dbraw/zinc/47/05/90/935470590.db2.gz CVLUEINQMROTGC-QGZVFWFLSA-N 2 1 355.567 3.543 20 0 FHADMP CCCOc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000657389616 935514682 /nfs/dbraw/zinc/51/46/82/935514682.db2.gz MABXLTZJROYECC-UHFFFAOYSA-N 2 1 368.525 3.949 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398784 935556116 /nfs/dbraw/zinc/55/61/16/935556116.db2.gz MSQBQDPVAVHZHS-OEWRPIJISA-N 2 1 352.526 3.539 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398784 935556122 /nfs/dbraw/zinc/55/61/22/935556122.db2.gz MSQBQDPVAVHZHS-OEWRPIJISA-N 2 1 352.526 3.539 20 0 FHADMP CCCC[C@@H](C[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429611681 945109166 /nfs/dbraw/zinc/10/91/66/945109166.db2.gz OVNCLURWPMWBGD-NRFANRHFSA-N 2 1 353.510 3.566 20 0 FHADMP COc1ccc(Br)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000582365250 935571958 /nfs/dbraw/zinc/57/19/58/935571958.db2.gz OIPUFZFPLCWDHX-OAHLLOKOSA-N 2 1 367.331 3.621 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000511118520 935668681 /nfs/dbraw/zinc/66/86/81/935668681.db2.gz CPFYFXMFHZODNQ-UHFFFAOYSA-N 2 1 357.542 3.667 20 0 FHADMP CCCCN(CCCC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582428893 935689236 /nfs/dbraw/zinc/68/92/36/935689236.db2.gz CTGIHIXVPRAVFE-UHFFFAOYSA-N 2 1 351.579 3.612 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccncc2s1 ZINC000657430995 935714850 /nfs/dbraw/zinc/71/48/50/935714850.db2.gz XDVZSZOIXMEUCR-LJQANCHMSA-N 2 1 367.518 3.543 20 0 FHADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000261781112 935780395 /nfs/dbraw/zinc/78/03/95/935780395.db2.gz XVHJTGBBWYMKJF-UHFFFAOYSA-N 2 1 370.324 3.786 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000237151427 935790705 /nfs/dbraw/zinc/79/07/05/935790705.db2.gz BOHORUNXNVRHAH-UHFFFAOYSA-N 2 1 371.569 3.847 20 0 FHADMP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000158639024 935878809 /nfs/dbraw/zinc/87/88/09/935878809.db2.gz KVCHAXQOOKMBKJ-UHFFFAOYSA-N 2 1 374.573 3.591 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657500488 935879515 /nfs/dbraw/zinc/87/95/15/935879515.db2.gz OOMYOTRCHWUEMT-MSOLQXFVSA-N 2 1 374.326 3.588 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000657500488 935879519 /nfs/dbraw/zinc/87/95/19/935879519.db2.gz OOMYOTRCHWUEMT-MSOLQXFVSA-N 2 1 374.326 3.588 20 0 FHADMP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161353982 935917838 /nfs/dbraw/zinc/91/78/38/935917838.db2.gz LVTBZFPUGSHZNC-FQEVSTJZSA-N 2 1 350.934 3.961 20 0 FHADMP CC(C)[N@@H+](C)CCCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000511182076 935941214 /nfs/dbraw/zinc/94/12/14/935941214.db2.gz AZHZIHNWXJXWFE-UHFFFAOYSA-N 2 1 367.537 3.779 20 0 FHADMP CC(C)[NH+](C)CCCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511182076 935941219 /nfs/dbraw/zinc/94/12/19/935941219.db2.gz AZHZIHNWXJXWFE-UHFFFAOYSA-N 2 1 367.537 3.779 20 0 FHADMP CC(C)[NH+](C)CCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511182076 935941220 /nfs/dbraw/zinc/94/12/20/935941220.db2.gz AZHZIHNWXJXWFE-UHFFFAOYSA-N 2 1 367.537 3.779 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000414960663 945140865 /nfs/dbraw/zinc/14/08/65/945140865.db2.gz YFOHAGHDDLVDBJ-QFBILLFUSA-N 2 1 370.493 3.513 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000657597266 936073149 /nfs/dbraw/zinc/07/31/49/936073149.db2.gz RUKTVKCQSRYYLU-NKELODKYSA-N 2 1 370.459 3.712 20 0 FHADMP CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595307 936075087 /nfs/dbraw/zinc/07/50/87/936075087.db2.gz ONKPMEGPNWGPLQ-LJQANCHMSA-N 2 1 364.489 3.852 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237478570 936076165 /nfs/dbraw/zinc/07/61/65/936076165.db2.gz XGEUHBSTGXTENT-DYESRHJHSA-N 2 1 351.494 3.947 20 0 FHADMP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657596604 936080126 /nfs/dbraw/zinc/08/01/26/936080126.db2.gz OTZCVAMXCQKFAJ-SFHVURJKSA-N 2 1 358.551 3.902 20 0 FHADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000161397213 936088528 /nfs/dbraw/zinc/08/85/28/936088528.db2.gz VABATHXOKAOOHN-UHFFFAOYSA-N 2 1 353.551 3.630 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264201 936154055 /nfs/dbraw/zinc/15/40/55/936154055.db2.gz VBFAHGSYHMGMOZ-HKUYNNGSSA-N 2 1 372.513 3.539 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264201 936154058 /nfs/dbraw/zinc/15/40/58/936154058.db2.gz VBFAHGSYHMGMOZ-HKUYNNGSSA-N 2 1 372.513 3.539 20 0 FHADMP COC[C@@H]1CCCC[NH+](CCCCC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000467117830 936200855 /nfs/dbraw/zinc/20/08/55/936200855.db2.gz MMAFGPXKFKQQAW-NHCUHLMSSA-N 2 1 354.579 3.654 20 0 FHADMP CN(c1ccccc1)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000685043981 936243011 /nfs/dbraw/zinc/24/30/11/936243011.db2.gz HKFUKMRMTOHGCN-UHFFFAOYSA-N 2 1 366.553 3.570 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000583472444 938269295 /nfs/dbraw/zinc/26/92/95/938269295.db2.gz IRXZFFLOSQLRSE-FGZHOGPDSA-N 2 1 371.569 3.608 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000657762724 938271252 /nfs/dbraw/zinc/27/12/52/938271252.db2.gz MPHNYXOESWVJHN-TZIWHRDSSA-N 2 1 371.569 3.716 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000657762724 938271253 /nfs/dbraw/zinc/27/12/53/938271253.db2.gz MPHNYXOESWVJHN-TZIWHRDSSA-N 2 1 371.569 3.716 20 0 FHADMP c1nc([C@@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798741 938278161 /nfs/dbraw/zinc/27/81/61/938278161.db2.gz VRGBOEUDNIPYOB-HXUWFJFHSA-N 2 1 364.537 3.852 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705819 938282805 /nfs/dbraw/zinc/28/28/05/938282805.db2.gz XHNTTWWZRHSXHT-YQVWRLOYSA-N 2 1 357.523 3.528 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706769 938286767 /nfs/dbraw/zinc/28/67/67/938286767.db2.gz RWMISOSQFSGIGH-NLWGTHIKSA-N 2 1 371.550 3.837 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000650707254 938289029 /nfs/dbraw/zinc/28/90/29/938289029.db2.gz BUUBMKWVNCAENN-LXZKKBNFSA-N 2 1 360.395 3.563 20 0 FHADMP FC(F)Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771330 938307039 /nfs/dbraw/zinc/30/70/39/938307039.db2.gz BIXHHGGTBMZUJR-LJQANCHMSA-N 2 1 374.479 3.540 20 0 FHADMP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299404 938307668 /nfs/dbraw/zinc/30/76/68/938307668.db2.gz FADWLIGYFHTYRP-FCHUYYIVSA-N 2 1 353.510 3.525 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000650722930 938310066 /nfs/dbraw/zinc/31/00/66/938310066.db2.gz DULYLCWFXYXXQB-BRWVUGGUSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723253 938310370 /nfs/dbraw/zinc/31/03/70/938310370.db2.gz KIHNCRXRNMPLSM-OIISXLGYSA-N 2 1 363.552 3.732 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)co2)cc1 ZINC000650723452 938310705 /nfs/dbraw/zinc/31/07/05/938310705.db2.gz OFINAVSCQYBWNE-MISYRCLQSA-N 2 1 355.482 3.511 20 0 FHADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773906 938319539 /nfs/dbraw/zinc/31/95/39/938319539.db2.gz VVCYFMKPNHPOFI-HXUWFJFHSA-N 2 1 352.526 3.856 20 0 FHADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773906 938319541 /nfs/dbraw/zinc/31/95/41/938319541.db2.gz VVCYFMKPNHPOFI-HXUWFJFHSA-N 2 1 352.526 3.856 20 0 FHADMP C[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000246169655 938343736 /nfs/dbraw/zinc/34/37/36/938343736.db2.gz BCLADHFYLCYTEV-MSOLQXFVSA-N 2 1 357.542 3.883 20 0 FHADMP C[C@@H](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH2+]CC1 ZINC000246743481 938396985 /nfs/dbraw/zinc/39/69/85/938396985.db2.gz ZHJPFVVZHGGCBN-RBUKOAKNSA-N 2 1 371.569 3.703 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000151145540 938413876 /nfs/dbraw/zinc/41/38/76/938413876.db2.gz VYPWYKZSSNNDOR-KRWDZBQOSA-N 2 1 367.541 3.689 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000151145540 938413879 /nfs/dbraw/zinc/41/38/79/938413879.db2.gz VYPWYKZSSNNDOR-KRWDZBQOSA-N 2 1 367.541 3.689 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000650756731 938417288 /nfs/dbraw/zinc/41/72/88/938417288.db2.gz IMYCQYSAMOZKSS-NSHDSACASA-N 2 1 352.251 3.553 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000650757838 938422966 /nfs/dbraw/zinc/42/29/66/938422966.db2.gz BYIYDKBOVKYUPP-CQSZACIVSA-N 2 1 369.900 3.799 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H]2CCC[C@H]21 ZINC000583887958 938467735 /nfs/dbraw/zinc/46/77/35/938467735.db2.gz LGGCIYBGQODDCQ-OYYCAODRSA-N 2 1 351.897 3.520 20 0 FHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1SC ZINC000133060345 938557446 /nfs/dbraw/zinc/55/74/46/938557446.db2.gz XFJLUJZKCJYWMZ-JKSUJKDBSA-N 2 1 364.555 3.569 20 0 FHADMP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000647322433 938599936 /nfs/dbraw/zinc/59/99/36/938599936.db2.gz VXFZTVNPCDPOGV-YTFSRNRJSA-N 2 1 350.506 3.712 20 0 FHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657836481 938646705 /nfs/dbraw/zinc/64/67/05/938646705.db2.gz UTCUYCNIDMMGCD-RDJZCZTQSA-N 2 1 351.332 3.844 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657839343 938690920 /nfs/dbraw/zinc/69/09/20/938690920.db2.gz SJRWYQDJGZNFIY-INIZCTEOSA-N 2 1 353.501 3.594 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712767312 945199031 /nfs/dbraw/zinc/19/90/31/945199031.db2.gz DARJGBARYOLGQD-VQTJNVASSA-N 2 1 358.526 3.562 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712767312 945199035 /nfs/dbraw/zinc/19/90/35/945199035.db2.gz DARJGBARYOLGQD-VQTJNVASSA-N 2 1 358.526 3.562 20 0 FHADMP Cc1cc(F)ncc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000892379786 938828440 /nfs/dbraw/zinc/82/84/40/938828440.db2.gz HABZKPJEJXYCML-UHFFFAOYSA-N 2 1 356.489 3.919 20 0 FHADMP CO[C@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414926 938834184 /nfs/dbraw/zinc/83/41/84/938834184.db2.gz OFAQJPBFXZOXIO-XQBPLPMBSA-N 2 1 360.542 3.585 20 0 FHADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cnc1F ZINC000892381153 938857506 /nfs/dbraw/zinc/85/75/06/938857506.db2.gz SUEOVQBVXNXQBU-UHFFFAOYSA-N 2 1 356.489 3.919 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000089641528 938861964 /nfs/dbraw/zinc/86/19/64/938861964.db2.gz XMNQNCKAXXCUCR-HKUYNNGSSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000089641528 938861967 /nfs/dbraw/zinc/86/19/67/938861967.db2.gz XMNQNCKAXXCUCR-HKUYNNGSSA-N 2 1 371.550 3.511 20 0 FHADMP O[C@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090543755 938880014 /nfs/dbraw/zinc/88/00/14/938880014.db2.gz LTJFKGBOTGIETQ-UGKGYDQZSA-N 2 1 362.533 3.754 20 0 FHADMP CCn1nc(C)c(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093818766 938930579 /nfs/dbraw/zinc/93/05/79/938930579.db2.gz UORKKMUTUYOBNH-NRFANRHFSA-N 2 1 354.542 3.864 20 0 FHADMP CCn1nc(C)c(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093818766 938930581 /nfs/dbraw/zinc/93/05/81/938930581.db2.gz UORKKMUTUYOBNH-NRFANRHFSA-N 2 1 354.542 3.864 20 0 FHADMP CCn1nc(C)c(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093818766 938930584 /nfs/dbraw/zinc/93/05/84/938930584.db2.gz UORKKMUTUYOBNH-NRFANRHFSA-N 2 1 354.542 3.864 20 0 FHADMP CCn1nc(C)c(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093818766 938930585 /nfs/dbraw/zinc/93/05/85/938930585.db2.gz UORKKMUTUYOBNH-NRFANRHFSA-N 2 1 354.542 3.864 20 0 FHADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000144309248 938951316 /nfs/dbraw/zinc/95/13/16/938951316.db2.gz MIAQBVXJZLFECK-JOCHJYFZSA-N 2 1 365.521 3.592 20 0 FHADMP C[N@@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457331 938987918 /nfs/dbraw/zinc/98/79/18/938987918.db2.gz APUIZYRJNFCAHM-NRFANRHFSA-N 2 1 371.569 3.608 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657890876 938987977 /nfs/dbraw/zinc/98/79/77/938987977.db2.gz SPDZWTILLROXRN-HXUWFJFHSA-N 2 1 350.466 3.733 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685463142 938988656 /nfs/dbraw/zinc/98/86/56/938988656.db2.gz PDUMPWTZHPNWBA-LJQANCHMSA-N 2 1 370.516 3.792 20 0 FHADMP c1ccc(C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)nc1 ZINC000685466556 938989005 /nfs/dbraw/zinc/98/90/05/938989005.db2.gz RKWPBQWWMNTNMI-UHFFFAOYSA-N 2 1 351.494 3.721 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572096 938992024 /nfs/dbraw/zinc/99/20/24/938992024.db2.gz CTKJLKDHBQNZQX-AEFFLSMTSA-N 2 1 368.912 3.845 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc4cnccc4o3)CC2)nc(C)[nH+]1 ZINC000657900801 938993209 /nfs/dbraw/zinc/99/32/09/938993209.db2.gz NCPPUGYHKWQGNT-CQSZACIVSA-N 2 1 351.454 3.554 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657907604 938996352 /nfs/dbraw/zinc/99/63/52/938996352.db2.gz PPUQWRVOLIHDSF-VNHKHXMHSA-N 2 1 374.569 3.564 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000685632334 939006483 /nfs/dbraw/zinc/00/64/83/939006483.db2.gz BGLKRJGVMCRZDI-FQEVSTJZSA-N 2 1 353.510 3.872 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000685632334 939006484 /nfs/dbraw/zinc/00/64/84/939006484.db2.gz BGLKRJGVMCRZDI-FQEVSTJZSA-N 2 1 353.510 3.872 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000685632335 939006540 /nfs/dbraw/zinc/00/65/40/939006540.db2.gz BGLKRJGVMCRZDI-HXUWFJFHSA-N 2 1 353.510 3.872 20 0 FHADMP CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000685632335 939006541 /nfs/dbraw/zinc/00/65/41/939006541.db2.gz BGLKRJGVMCRZDI-HXUWFJFHSA-N 2 1 353.510 3.872 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000685646314 939008100 /nfs/dbraw/zinc/00/81/00/939008100.db2.gz MTXCOXNCUOPFOI-HKUYNNGSSA-N 2 1 354.494 3.964 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657930185 939008975 /nfs/dbraw/zinc/00/89/75/939008975.db2.gz BJXKRMULAPBJQI-PTUXOGIPSA-N 2 1 374.569 3.708 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653813 939009031 /nfs/dbraw/zinc/00/90/31/939009031.db2.gz XECVKWPPFOZJNP-LAUBAEHRSA-N 2 1 361.489 3.652 20 0 FHADMP C[C@H](Cn1cncn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658004091 939018487 /nfs/dbraw/zinc/01/84/87/939018487.db2.gz BKHOLUIZYCSXNG-BUHWKMJWSA-N 2 1 373.932 3.524 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023062 939019201 /nfs/dbraw/zinc/01/92/01/939019201.db2.gz IWVOLJKASZFJOQ-NHCUHLMSSA-N 2 1 374.594 3.791 20 0 FHADMP C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658103730 939026374 /nfs/dbraw/zinc/02/63/74/939026374.db2.gz MCTGZEAQZJJHBS-DENIHFKCSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658103730 939026377 /nfs/dbraw/zinc/02/63/77/939026377.db2.gz MCTGZEAQZJJHBS-DENIHFKCSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658103732 939026611 /nfs/dbraw/zinc/02/66/11/939026611.db2.gz MCTGZEAQZJJHBS-KNQAVFIVSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658103732 939026612 /nfs/dbraw/zinc/02/66/12/939026612.db2.gz MCTGZEAQZJJHBS-KNQAVFIVSA-N 2 1 364.537 3.682 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137067 939030562 /nfs/dbraw/zinc/03/05/62/939030562.db2.gz IRGAHCLZNWBNDF-IRLDBZIGSA-N 2 1 354.469 3.560 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142210 939036199 /nfs/dbraw/zinc/03/61/99/939036199.db2.gz DNQOUMDXGSQJNA-AZUAARDMSA-N 2 1 354.519 3.580 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144662 939037091 /nfs/dbraw/zinc/03/70/91/939037091.db2.gz NLXMHGWIAPOTBK-BBRMVZONSA-N 2 1 350.915 3.819 20 0 FHADMP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140275 939044034 /nfs/dbraw/zinc/04/40/34/939044034.db2.gz PKHCIWWVGCGPOB-AVRDEDQJSA-N 2 1 368.521 3.893 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000658209781 939070328 /nfs/dbraw/zinc/07/03/28/939070328.db2.gz SEYNFKKFJQMRGW-WMLDXEAASA-N 2 1 351.332 3.844 20 0 FHADMP COc1ccnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1F ZINC000658223181 939071945 /nfs/dbraw/zinc/07/19/45/939071945.db2.gz IXUWZCKWURNWRD-UHFFFAOYSA-N 2 1 357.473 3.762 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511828527 945225282 /nfs/dbraw/zinc/22/52/82/945225282.db2.gz YESCAEPZHVBEFG-ZLNRFVROSA-N 2 1 355.570 3.671 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658295160 939101166 /nfs/dbraw/zinc/10/11/66/939101166.db2.gz AIIPVULPCFVNGZ-MWXLCCTBSA-N 2 1 371.569 3.666 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316310 939109168 /nfs/dbraw/zinc/10/91/68/939109168.db2.gz DSCFYUADYBXNKG-TZIWHRDSSA-N 2 1 364.537 3.689 20 0 FHADMP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318266 939109573 /nfs/dbraw/zinc/10/95/73/939109573.db2.gz OQFSOUMRWNOYBW-UXHICEINSA-N 2 1 350.510 3.610 20 0 FHADMP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318266 939109576 /nfs/dbraw/zinc/10/95/76/939109576.db2.gz OQFSOUMRWNOYBW-UXHICEINSA-N 2 1 350.510 3.610 20 0 FHADMP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318265 939109724 /nfs/dbraw/zinc/10/97/24/939109724.db2.gz OQFSOUMRWNOYBW-PMACEKPBSA-N 2 1 350.510 3.610 20 0 FHADMP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CCC2 ZINC000658318265 939109727 /nfs/dbraw/zinc/10/97/27/939109727.db2.gz OQFSOUMRWNOYBW-PMACEKPBSA-N 2 1 350.510 3.610 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319723 939110664 /nfs/dbraw/zinc/11/06/64/939110664.db2.gz HJCWHZQCMWOAHE-DENIHFKCSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319723 939110668 /nfs/dbraw/zinc/11/06/68/939110668.db2.gz HJCWHZQCMWOAHE-DENIHFKCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320403 939111360 /nfs/dbraw/zinc/11/13/60/939111360.db2.gz WAEFGNLGXHEBNA-PMACEKPBSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320403 939111369 /nfs/dbraw/zinc/11/13/69/939111369.db2.gz WAEFGNLGXHEBNA-PMACEKPBSA-N 2 1 352.526 3.763 20 0 FHADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686508 939136836 /nfs/dbraw/zinc/13/68/36/939136836.db2.gz RIXAVWOCMAEULS-XUZZJYLKSA-N 2 1 371.613 3.993 20 0 FHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367534 939140960 /nfs/dbraw/zinc/14/09/60/939140960.db2.gz ICADYVIOJLCNGN-VQTJNVASSA-N 2 1 354.494 3.573 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225167 945231845 /nfs/dbraw/zinc/23/18/45/945231845.db2.gz WULDRDIGNRKCMV-ICSRJNTNSA-N 2 1 351.579 3.610 20 0 FHADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1c(C)nn(C)c1C ZINC000507493368 945278323 /nfs/dbraw/zinc/27/83/23/945278323.db2.gz HLGJFFHKWCWSKK-YUMYIRISSA-N 2 1 366.553 3.988 20 0 FHADMP OCC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507516764 945279605 /nfs/dbraw/zinc/27/96/05/945279605.db2.gz WTAMVSVSRMOMCC-SSGKUCQKSA-N 2 1 350.506 3.610 20 0 FHADMP Clc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc2c1OCCCO2 ZINC000518278654 945285516 /nfs/dbraw/zinc/28/55/16/945285516.db2.gz ZLHGZROPOMIBSR-UHFFFAOYSA-N 2 1 350.890 3.608 20 0 FHADMP c1csc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986229 945296496 /nfs/dbraw/zinc/29/64/96/945296496.db2.gz BEPOAIWFXXTPMJ-JKIHBJOUSA-N 2 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986229 945296501 /nfs/dbraw/zinc/29/65/01/945296501.db2.gz BEPOAIWFXXTPMJ-JKIHBJOUSA-N 3 1 371.594 3.517 20 0 FHADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986229 945296508 /nfs/dbraw/zinc/29/65/08/945296508.db2.gz BEPOAIWFXXTPMJ-JKIHBJOUSA-N 3 1 371.594 3.517 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCCC5)[C@@H]3C2)cc1 ZINC000507519944 945298777 /nfs/dbraw/zinc/29/87/77/945298777.db2.gz LQGVXYUROCZODA-KVAWTYEWSA-N 2 1 366.549 3.834 20 0 FHADMP COCC[NH2+]C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000572607463 940255259 /nfs/dbraw/zinc/25/52/59/940255259.db2.gz ZVVREPDBTFQPLY-UHFFFAOYSA-N 2 1 374.475 3.797 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@H]1[NH3+] ZINC000647497403 940373334 /nfs/dbraw/zinc/37/33/34/940373334.db2.gz GLGWQASOIHSGCV-VQIMIIECSA-N 2 1 353.514 3.619 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@H]1[NH3+] ZINC000647497403 940373337 /nfs/dbraw/zinc/37/33/37/940373337.db2.gz GLGWQASOIHSGCV-VQIMIIECSA-N 2 1 353.514 3.619 20 0 FHADMP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000177774388 940429262 /nfs/dbraw/zinc/42/92/62/940429262.db2.gz ZZHOUBWGUGIAJK-FUHWJXTLSA-N 2 1 353.551 3.629 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000431734568 940438598 /nfs/dbraw/zinc/43/85/98/940438598.db2.gz WSRUBZRXPHHOPP-UGKGYDQZSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000431734568 940438600 /nfs/dbraw/zinc/43/86/00/940438600.db2.gz WSRUBZRXPHHOPP-UGKGYDQZSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000431734568 940438602 /nfs/dbraw/zinc/43/86/02/940438602.db2.gz WSRUBZRXPHHOPP-UGKGYDQZSA-N 2 1 371.569 3.942 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431748777 940466232 /nfs/dbraw/zinc/46/62/32/940466232.db2.gz IVYNTEOZUZHXBQ-JOCHJYFZSA-N 2 1 367.537 3.836 20 0 FHADMP COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000685850751 940466872 /nfs/dbraw/zinc/46/68/72/940466872.db2.gz CRCLBHJDYFBZMZ-UHFFFAOYSA-N 2 1 366.505 3.683 20 0 FHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000414070122 940476742 /nfs/dbraw/zinc/47/67/42/940476742.db2.gz CDBQPVMQZFFHRO-QZTJIDSGSA-N 2 1 352.563 3.593 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1 ZINC000414073684 940481702 /nfs/dbraw/zinc/48/17/02/940481702.db2.gz NHTAHDDKKQWDKB-LJQANCHMSA-N 2 1 367.537 3.602 20 0 FHADMP Brc1ccc2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001204741873 945335788 /nfs/dbraw/zinc/33/57/88/945335788.db2.gz DGWJKJMEBNUWSU-UHFFFAOYSA-N 2 1 374.326 3.963 20 0 FHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1C[C@@H]1C ZINC000414151817 940681203 /nfs/dbraw/zinc/68/12/03/940681203.db2.gz WPQJEFKPPYKGBX-PDGJWGCVSA-N 2 1 356.554 3.939 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nc2c(s1)CCC2 ZINC000414156024 940684947 /nfs/dbraw/zinc/68/49/47/940684947.db2.gz OTEMQAPLYZKARZ-LSDHHAIUSA-N 2 1 359.539 3.984 20 0 FHADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000173946513 940689158 /nfs/dbraw/zinc/68/91/58/940689158.db2.gz ZLHFHWZGZJPQAB-KRWDZBQOSA-N 2 1 362.905 3.739 20 0 FHADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000173946513 940689161 /nfs/dbraw/zinc/68/91/61/940689161.db2.gz ZLHFHWZGZJPQAB-KRWDZBQOSA-N 2 1 362.905 3.739 20 0 FHADMP C[NH+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173946513 940689163 /nfs/dbraw/zinc/68/91/63/940689163.db2.gz ZLHFHWZGZJPQAB-KRWDZBQOSA-N 2 1 362.905 3.739 20 0 FHADMP C[NH+](CCc1nc(-c2ccc(Cl)cc2)no1)CC[C@@H]1CCCC[N@H+]1C ZINC000173946513 940689165 /nfs/dbraw/zinc/68/91/65/940689165.db2.gz ZLHFHWZGZJPQAB-KRWDZBQOSA-N 2 1 362.905 3.739 20 0 FHADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174155756 940705731 /nfs/dbraw/zinc/70/57/31/940705731.db2.gz ZHAXFKIAPBGHDA-KRWDZBQOSA-N 2 1 371.525 3.695 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297014 940723506 /nfs/dbraw/zinc/72/35/06/940723506.db2.gz VUAJJFXRAIHKRW-IBGZPJMESA-N 2 1 355.457 3.841 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCN2CCOCC2)cc1 ZINC000170694510 940782624 /nfs/dbraw/zinc/78/26/24/940782624.db2.gz LNGBTKMLGGECTP-IBGZPJMESA-N 2 1 373.541 3.502 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000170694510 940782628 /nfs/dbraw/zinc/78/26/28/940782628.db2.gz LNGBTKMLGGECTP-IBGZPJMESA-N 2 1 373.541 3.502 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000170694510 940782629 /nfs/dbraw/zinc/78/26/29/940782629.db2.gz LNGBTKMLGGECTP-IBGZPJMESA-N 2 1 373.541 3.502 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000892584951 940852406 /nfs/dbraw/zinc/85/24/06/940852406.db2.gz QAFHAHMEFFQJPC-KURKYZTESA-N 2 1 353.551 3.534 20 0 FHADMP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660658479 945360444 /nfs/dbraw/zinc/36/04/44/945360444.db2.gz CUXXSXBOVUCFPC-QFIPXVFZSA-N 2 1 357.542 3.748 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657795 945360752 /nfs/dbraw/zinc/36/07/52/945360752.db2.gz UKIBYJXGTGPIDL-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657795 945360762 /nfs/dbraw/zinc/36/07/62/945360762.db2.gz UKIBYJXGTGPIDL-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657795 945360773 /nfs/dbraw/zinc/36/07/73/945360773.db2.gz UKIBYJXGTGPIDL-GOSISDBHSA-N 2 1 370.324 3.740 20 0 FHADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414326418 940975968 /nfs/dbraw/zinc/97/59/68/940975968.db2.gz ANOFECPCAJNLSC-BMXMUORJSA-N 2 1 356.554 3.818 20 0 FHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660984 945366416 /nfs/dbraw/zinc/36/64/16/945366416.db2.gz YCAICQKBDVOVEV-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660984 945366426 /nfs/dbraw/zinc/36/64/26/945366426.db2.gz YCAICQKBDVOVEV-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660984 945366432 /nfs/dbraw/zinc/36/64/32/945366432.db2.gz YCAICQKBDVOVEV-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660984 945366450 /nfs/dbraw/zinc/36/64/50/945366450.db2.gz YCAICQKBDVOVEV-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000892624443 941005723 /nfs/dbraw/zinc/00/57/23/941005723.db2.gz SZFVBVGTGWUAJG-UHFFFAOYSA-N 2 1 350.488 3.780 20 0 FHADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccnc1 ZINC000414342428 941010990 /nfs/dbraw/zinc/01/09/90/941010990.db2.gz WYRXFSQJXVQAOR-UHFFFAOYSA-N 2 1 355.501 3.795 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)nc1 ZINC000647542811 941062511 /nfs/dbraw/zinc/06/25/11/941062511.db2.gz CEFOTAIPLBGFMR-RTWAWAEBSA-N 2 1 365.521 3.872 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1OC ZINC000647542861 941062513 /nfs/dbraw/zinc/06/25/13/941062513.db2.gz CZTGPTCLJSUXOJ-CABCVRRESA-N 2 1 352.906 3.569 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC(F)F ZINC000647543439 941065332 /nfs/dbraw/zinc/06/53/32/941065332.db2.gz NLRMNZWIWCNFCT-HZPDHXFCSA-N 2 1 368.468 3.898 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543763 941065475 /nfs/dbraw/zinc/06/54/75/941065475.db2.gz RRLURKLKMLAIEF-HZPDHXFCSA-N 2 1 354.441 3.508 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543932 941065763 /nfs/dbraw/zinc/06/57/63/941065763.db2.gz UOOJACRIVKOPFB-LSDHHAIUSA-N 2 1 360.452 3.567 20 0 FHADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647545684 941068968 /nfs/dbraw/zinc/06/89/68/941068968.db2.gz DBNRHTIUYIFAEY-ZWKOTPCHSA-N 2 1 364.493 3.655 20 0 FHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892669056 941119775 /nfs/dbraw/zinc/11/97/75/941119775.db2.gz VBDVTHORYXIVMI-CQSZACIVSA-N 2 1 353.532 3.917 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892669056 941119777 /nfs/dbraw/zinc/11/97/77/941119777.db2.gz VBDVTHORYXIVMI-CQSZACIVSA-N 2 1 353.532 3.917 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000178218261 941166533 /nfs/dbraw/zinc/16/65/33/941166533.db2.gz LNGRSFOZQKKBEP-IXDOHACOSA-N 2 1 367.493 3.568 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000178218261 941166534 /nfs/dbraw/zinc/16/65/34/941166534.db2.gz LNGRSFOZQKKBEP-IXDOHACOSA-N 2 1 367.493 3.568 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248397 941211654 /nfs/dbraw/zinc/21/16/54/941211654.db2.gz AIXZABIKLWQZGK-MAUKXSAKSA-N 2 1 355.457 3.696 20 0 FHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121020 941255350 /nfs/dbraw/zinc/25/53/50/941255350.db2.gz LTHDDHGSBGDLQD-UKRRQHHQSA-N 2 1 357.311 3.841 20 0 FHADMP O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498793 941314645 /nfs/dbraw/zinc/31/46/45/941314645.db2.gz LGKZMQKDUOJQHR-XLIONFOSSA-N 2 1 360.448 3.500 20 0 FHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498793 941314651 /nfs/dbraw/zinc/31/46/51/941314651.db2.gz LGKZMQKDUOJQHR-XLIONFOSSA-N 2 1 360.448 3.500 20 0 FHADMP C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781899 941322509 /nfs/dbraw/zinc/32/25/09/941322509.db2.gz HYVGBOZNIOPYES-QTGUNEKASA-N 2 1 350.506 3.801 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781906 941326140 /nfs/dbraw/zinc/32/61/40/941326140.db2.gz HYVGBOZNIOPYES-ZEYPLWLESA-N 2 1 350.506 3.801 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000311565058 941332442 /nfs/dbraw/zinc/33/24/42/941332442.db2.gz YUIVFNSNWZFSNZ-JOCHJYFZSA-N 2 1 354.494 3.793 20 0 FHADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000311597837 941336542 /nfs/dbraw/zinc/33/65/42/941336542.db2.gz SHYQFARBUSCOBQ-JOCHJYFZSA-N 2 1 350.506 3.708 20 0 FHADMP C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CCN1C1CC[NH+](C)CC1 ZINC000376863910 941454736 /nfs/dbraw/zinc/45/47/36/941454736.db2.gz IQCSNRGOUAVREN-MRXNPFEDSA-N 2 1 367.990 3.532 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000173423908 941504438 /nfs/dbraw/zinc/50/44/38/941504438.db2.gz FRPYUMQZWMWZIK-MRXNPFEDSA-N 2 1 355.482 3.727 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415034292 941557291 /nfs/dbraw/zinc/55/72/91/941557291.db2.gz CPNFQFNHAIKSNO-UZLBHIALSA-N 2 1 358.917 3.798 20 0 FHADMP c1ccc(Oc2cccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c2)cc1 ZINC000415052352 941567670 /nfs/dbraw/zinc/56/76/70/941567670.db2.gz KTCHDCXLONOWMS-UHFFFAOYSA-N 2 1 365.521 3.785 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415057787 941570337 /nfs/dbraw/zinc/57/03/37/941570337.db2.gz UESZJOQEGALDNE-OPAMFIHVSA-N 2 1 370.541 3.730 20 0 FHADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000313711284 941578576 /nfs/dbraw/zinc/57/85/76/941578576.db2.gz ATKWQVLHTLJDIO-GOOCMWNKSA-N 2 1 353.304 3.563 20 0 FHADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000313711284 941578582 /nfs/dbraw/zinc/57/85/82/941578582.db2.gz ATKWQVLHTLJDIO-GOOCMWNKSA-N 2 1 353.304 3.563 20 0 FHADMP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415060658 941579283 /nfs/dbraw/zinc/57/92/83/941579283.db2.gz XFURQYLSZCJTLE-NSKBAKJYSA-N 2 1 361.961 3.782 20 0 FHADMP Fc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075456 941586943 /nfs/dbraw/zinc/58/69/43/941586943.db2.gz BLBVXKMPVMGJQH-AZUAARDMSA-N 2 1 350.441 3.594 20 0 FHADMP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415077985 941587934 /nfs/dbraw/zinc/58/79/34/941587934.db2.gz GASSIEXSQAVXSD-GPJHCHHRSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415073983 941589158 /nfs/dbraw/zinc/58/91/58/941589158.db2.gz BPSOBAQWDPJYFV-GXFFZTMASA-N 2 1 363.246 3.671 20 0 FHADMP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)cc1 ZINC000415083441 941593012 /nfs/dbraw/zinc/59/30/12/941593012.db2.gz FKMFORHEOKLMNO-BJKOFHAPSA-N 3 1 363.549 3.982 20 0 FHADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)ccc1OCc1ccncc1 ZINC000415095281 941599035 /nfs/dbraw/zinc/59/90/35/941599035.db2.gz ZIMUIUUSDQGTBU-QFBILLFUSA-N 2 1 357.498 3.693 20 0 FHADMP COc1cccc(C([NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c2cccc(OC)c2)c1 ZINC000415090956 941600976 /nfs/dbraw/zinc/60/09/76/941600976.db2.gz ZYKFBHBUVFGNGW-QFBILLFUSA-N 2 1 354.494 3.913 20 0 FHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000415109696 941606863 /nfs/dbraw/zinc/60/68/63/941606863.db2.gz NYKRTYCMZUCCQK-DLBZAZTESA-N 2 1 360.395 3.563 20 0 FHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126032 941615444 /nfs/dbraw/zinc/61/54/44/941615444.db2.gz LWMRNFRGCQOBKX-UTKZUKDTSA-N 2 1 369.557 3.550 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124650 941620604 /nfs/dbraw/zinc/62/06/04/941620604.db2.gz MWBNYYSLZWGMBR-RDJZCZTQSA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000415130115 941623438 /nfs/dbraw/zinc/62/34/38/941623438.db2.gz QKQZFTPZOSWTAH-SJORKVTESA-N 2 1 360.395 3.563 20 0 FHADMP C[NH2+]CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000415133229 941625071 /nfs/dbraw/zinc/62/50/71/941625071.db2.gz MTBTXIWARLOKQX-UHFFFAOYSA-N 2 1 354.523 3.701 20 0 FHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000415133229 941625076 /nfs/dbraw/zinc/62/50/76/941625076.db2.gz MTBTXIWARLOKQX-UHFFFAOYSA-N 2 1 354.523 3.701 20 0 FHADMP Cn1nc(CCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000472754342 941682859 /nfs/dbraw/zinc/68/28/59/941682859.db2.gz PPPOZKDGAGFYOW-OAQYLSRUSA-N 2 1 372.532 3.965 20 0 FHADMP Cn1nc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1-c1ccc(F)cc1 ZINC000472754342 941682860 /nfs/dbraw/zinc/68/28/60/941682860.db2.gz PPPOZKDGAGFYOW-OAQYLSRUSA-N 2 1 372.532 3.965 20 0 FHADMP Cn1nc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1-c1ccc(F)cc1 ZINC000472754342 941682863 /nfs/dbraw/zinc/68/28/63/941682863.db2.gz PPPOZKDGAGFYOW-OAQYLSRUSA-N 2 1 372.532 3.965 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000311945574 941697479 /nfs/dbraw/zinc/69/74/79/941697479.db2.gz IPWKJFGDSAOPCD-WMZOPIPTSA-N 2 1 364.534 3.739 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000513207972 941781604 /nfs/dbraw/zinc/78/16/04/941781604.db2.gz JZRRSEHDVRZIEA-FKVLARQCSA-N 2 1 371.569 3.713 20 0 FHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000513207972 941781605 /nfs/dbraw/zinc/78/16/05/941781605.db2.gz JZRRSEHDVRZIEA-FKVLARQCSA-N 2 1 371.569 3.713 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000513214505 941785005 /nfs/dbraw/zinc/78/50/05/941785005.db2.gz OGAVGNBGWXURCS-LJQANCHMSA-N 2 1 359.558 3.913 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2OC)c1 ZINC000430006497 941805014 /nfs/dbraw/zinc/80/50/14/941805014.db2.gz NUPLJDDPFOZBQL-UHFFFAOYSA-N 2 1 364.493 3.622 20 0 FHADMP Cc1cc([C@@H]2CCC[NH+]2C/C=C\C[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000613675325 941815265 /nfs/dbraw/zinc/81/52/65/941815265.db2.gz ZRHJSMKOONRZRY-OOUWWJCLSA-N 2 1 356.470 3.810 20 0 FHADMP Cc1cc([C@@H]2CCC[NH+]2C/C=C\C[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000613675325 941815269 /nfs/dbraw/zinc/81/52/69/941815269.db2.gz ZRHJSMKOONRZRY-OOUWWJCLSA-N 2 1 356.470 3.810 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530732 941827360 /nfs/dbraw/zinc/82/73/60/941827360.db2.gz LKYUPFSDIMSLDJ-NWSQWKLXSA-N 2 1 352.522 3.653 20 0 FHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1F ZINC000644530603 941827505 /nfs/dbraw/zinc/82/75/05/941827505.db2.gz JOLCFQNCCLKNAB-IBGZPJMESA-N 2 1 369.484 3.656 20 0 FHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000644551467 941832138 /nfs/dbraw/zinc/83/21/38/941832138.db2.gz CUDCSUVVODOTCU-DHVPZBTDSA-N 2 1 368.443 3.618 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2scnc2C)CC1 ZINC000513377473 941875813 /nfs/dbraw/zinc/87/58/13/941875813.db2.gz VFNYTJDFSRVVKT-UHFFFAOYSA-N 2 1 358.555 3.616 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2scnc2C)CC1 ZINC000513377473 941875818 /nfs/dbraw/zinc/87/58/18/941875818.db2.gz VFNYTJDFSRVVKT-UHFFFAOYSA-N 2 1 358.555 3.616 20 0 FHADMP CCOc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510282 941971748 /nfs/dbraw/zinc/97/17/48/941971748.db2.gz AWVLQYFUFFCFAP-ICSRJNTNSA-N 2 1 353.510 3.871 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549342060 942011771 /nfs/dbraw/zinc/01/17/71/942011771.db2.gz PCKUQNRTKPWJDT-RTBURBONSA-N 2 1 364.896 3.798 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513652495 942056407 /nfs/dbraw/zinc/05/64/07/942056407.db2.gz ASSZPRTVQULMKO-NJDAHSKKSA-N 2 1 352.526 3.958 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000513661698 942070938 /nfs/dbraw/zinc/07/09/38/942070938.db2.gz VKFBBZHAUNMFOL-NQIIRXRSSA-N 2 1 371.569 3.911 20 0 FHADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(-c2ccnn2C)c1 ZINC000549388504 942126978 /nfs/dbraw/zinc/12/69/78/942126978.db2.gz LWBPKNOYEWWSNE-UHFFFAOYSA-N 2 1 352.526 3.846 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415905888 942134202 /nfs/dbraw/zinc/13/42/02/942134202.db2.gz VZOWZOSDRZQZGJ-UHFFFAOYSA-N 2 1 358.530 3.526 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415914086 942136978 /nfs/dbraw/zinc/13/69/78/942136978.db2.gz UMEWZKFYAROXPG-HXUWFJFHSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000415916164 942139527 /nfs/dbraw/zinc/13/95/27/942139527.db2.gz AXPPEDKMUOCKJA-GOSISDBHSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000415927680 942163876 /nfs/dbraw/zinc/16/38/76/942163876.db2.gz DMMPQGUOPJNWSR-XLIONFOSSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931340 942166618 /nfs/dbraw/zinc/16/66/18/942166618.db2.gz KTGYNOMTTQRZQE-UWJYYQICSA-N 2 1 366.509 3.581 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000501991170 942167572 /nfs/dbraw/zinc/16/75/72/942167572.db2.gz VPNAINMLNNVJSW-JBACZVJFSA-N 2 1 359.558 3.570 20 0 FHADMP C[C@H](CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000472931385 942169466 /nfs/dbraw/zinc/16/94/66/942169466.db2.gz SLYQPJNLWZNCDH-QGZVFWFLSA-N 2 1 374.573 3.505 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415945953 942178833 /nfs/dbraw/zinc/17/88/33/942178833.db2.gz SGDNNDVQFAWGQU-XLIONFOSSA-N 2 1 366.509 3.753 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415947905 942180810 /nfs/dbraw/zinc/18/08/10/942180810.db2.gz XJSTXZLVGIKYPW-UHFFFAOYSA-N 2 1 360.546 3.772 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659878038 942183440 /nfs/dbraw/zinc/18/34/40/942183440.db2.gz YAMQWGAAKOKFEF-IBGZPJMESA-N 2 1 361.555 3.542 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415954039 942195195 /nfs/dbraw/zinc/19/51/95/942195195.db2.gz LVTBRJPUKJQTNX-XLIONFOSSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415960289 942207553 /nfs/dbraw/zinc/20/75/53/942207553.db2.gz UWUTWIIHSICKID-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415960289 942207555 /nfs/dbraw/zinc/20/75/55/942207555.db2.gz UWUTWIIHSICKID-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCCC[C@@H]1C ZINC000415978180 942220874 /nfs/dbraw/zinc/22/08/74/942220874.db2.gz XGEFLFFQPHZFQC-STQMWFEESA-N 2 1 372.435 3.549 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415981000 942225362 /nfs/dbraw/zinc/22/53/62/942225362.db2.gz UJHPVKKDOGOJFT-KRWDZBQOSA-N 2 1 366.509 3.841 20 0 FHADMP COc1ccc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420897399 942244526 /nfs/dbraw/zinc/24/45/26/942244526.db2.gz ASZALIIWJHXCFW-QFIPXVFZSA-N 2 1 366.505 3.517 20 0 FHADMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420897399 942244530 /nfs/dbraw/zinc/24/45/30/942244530.db2.gz ASZALIIWJHXCFW-QFIPXVFZSA-N 2 1 366.505 3.517 20 0 FHADMP Oc1ccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420899833 942245301 /nfs/dbraw/zinc/24/53/01/942245301.db2.gz HWWSMWOBESHEDX-UHFFFAOYSA-N 2 1 366.505 3.604 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000420931711 942260937 /nfs/dbraw/zinc/26/09/37/942260937.db2.gz GVLJAHINBJLQEM-HTAPYJJXSA-N 2 1 371.956 3.951 20 0 FHADMP COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420914848 942266499 /nfs/dbraw/zinc/26/64/99/942266499.db2.gz KMIDCOFQFMMNQV-OAQYLSRUSA-N 2 1 366.505 3.517 20 0 FHADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420914848 942266502 /nfs/dbraw/zinc/26/65/02/942266502.db2.gz KMIDCOFQFMMNQV-OAQYLSRUSA-N 2 1 366.505 3.517 20 0 FHADMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H](C)c1cccc(O)c1 ZINC000420916830 942267095 /nfs/dbraw/zinc/26/70/95/942267095.db2.gz PWQQTULKGGHBEP-GOSISDBHSA-N 2 1 354.494 3.808 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1cccc(O)c1 ZINC000420916830 942267099 /nfs/dbraw/zinc/26/70/99/942267099.db2.gz PWQQTULKGGHBEP-GOSISDBHSA-N 2 1 354.494 3.808 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1cccc(O)c1 ZINC000420916830 942267103 /nfs/dbraw/zinc/26/71/03/942267103.db2.gz PWQQTULKGGHBEP-GOSISDBHSA-N 2 1 354.494 3.808 20 0 FHADMP Cc1cccc(C)c1OCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046525 942273682 /nfs/dbraw/zinc/27/36/82/942273682.db2.gz PPEVSRLPMXRYTR-UHFFFAOYSA-N 2 1 353.510 3.926 20 0 FHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccsc1 ZINC000420998523 942296698 /nfs/dbraw/zinc/29/66/98/942296698.db2.gz BBWATKROOWLLDL-MRXNPFEDSA-N 2 1 351.560 3.509 20 0 FHADMP COc1ccc2cc(C[N@@H+](C)CCCN3CC[NH+](C(C)C)CC3)ccc2c1 ZINC000501113580 942315885 /nfs/dbraw/zinc/31/58/85/942315885.db2.gz AVYPKCXPDLTERW-UHFFFAOYSA-N 2 1 369.553 3.696 20 0 FHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292509 942337138 /nfs/dbraw/zinc/33/71/38/942337138.db2.gz XEMFHKGMQBKXNO-YLJYHZDGSA-N 2 1 360.542 3.797 20 0 FHADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292509 942337144 /nfs/dbraw/zinc/33/71/44/942337144.db2.gz XEMFHKGMQBKXNO-YLJYHZDGSA-N 2 1 360.542 3.797 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416156195 942415639 /nfs/dbraw/zinc/41/56/39/942415639.db2.gz FVCBWFBOBFCMAG-OAQYLSRUSA-N 2 1 359.558 3.650 20 0 FHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000312075701 942415689 /nfs/dbraw/zinc/41/56/89/942415689.db2.gz QARBVUCKQUKLPQ-SIKLNZKXSA-N 2 1 356.485 3.751 20 0 FHADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000312075700 942416031 /nfs/dbraw/zinc/41/60/31/942416031.db2.gz QARBVUCKQUKLPQ-KNQAVFIVSA-N 2 1 356.485 3.751 20 0 FHADMP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000414831790 942476642 /nfs/dbraw/zinc/47/66/42/942476642.db2.gz PTZPRAMNYVASAX-FOSCPWQOSA-N 2 1 374.120 3.584 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000421363608 942515459 /nfs/dbraw/zinc/51/54/59/942515459.db2.gz QGIFDCPHJHNBCU-WBVHZDCISA-N 2 1 370.497 3.518 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccn3CCC(C)C)CC2)CC1 ZINC000421372225 942523963 /nfs/dbraw/zinc/52/39/63/942523963.db2.gz KXOJOSIMJABVAA-UHFFFAOYSA-N 2 1 360.590 3.526 20 0 FHADMP COc1ccc(OC)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804032 942536501 /nfs/dbraw/zinc/53/65/01/942536501.db2.gz CDYSBMJLDIIWJH-TZIWHRDSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000395804032 942536506 /nfs/dbraw/zinc/53/65/06/942536506.db2.gz CDYSBMJLDIIWJH-TZIWHRDSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(OC)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000395804032 942536515 /nfs/dbraw/zinc/53/65/15/942536515.db2.gz CDYSBMJLDIIWJH-TZIWHRDSSA-N 2 1 366.505 3.658 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000513831148 942546465 /nfs/dbraw/zinc/54/64/65/942546465.db2.gz LGIXXCOUAYBLKO-NRFANRHFSA-N 2 1 357.542 3.523 20 0 FHADMP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000181457386 942549791 /nfs/dbraw/zinc/54/97/91/942549791.db2.gz KPBMTMQHVFIBCP-OAQYLSRUSA-N 2 1 357.542 3.752 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513919924 942595148 /nfs/dbraw/zinc/59/51/48/942595148.db2.gz HAYZTQMWHPEQOR-PKOBYXMFSA-N 2 1 359.558 3.570 20 0 FHADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302295 942611056 /nfs/dbraw/zinc/61/10/56/942611056.db2.gz JNEKNXARHSDSAX-ZDUSSCGKSA-N 2 1 358.313 3.644 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302351 942611359 /nfs/dbraw/zinc/61/13/59/942611359.db2.gz JSNZCQMQGUPUPP-AZUAARDMSA-N 2 1 370.493 3.592 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000420307096 942612994 /nfs/dbraw/zinc/61/29/94/942612994.db2.gz QYYKXZVKKYMSCM-POHNSKBLSA-N 2 1 363.590 3.560 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000420307097 942613193 /nfs/dbraw/zinc/61/31/93/942613193.db2.gz QYYKXZVKKYMSCM-XAYQJVIWSA-N 2 1 363.590 3.560 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000420309485 942613734 /nfs/dbraw/zinc/61/37/34/942613734.db2.gz TZEVGXZHICWIEU-KRWDZBQOSA-N 2 1 360.523 3.600 20 0 FHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420309982 942615311 /nfs/dbraw/zinc/61/53/11/942615311.db2.gz LVEYWPMHCUPQJW-SFHVURJKSA-N 2 1 363.505 3.511 20 0 FHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000163973594 942618061 /nfs/dbraw/zinc/61/80/61/942618061.db2.gz WKEYHHYTSVAJAG-SFHVURJKSA-N 2 1 372.509 3.928 20 0 FHADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420316660 942618349 /nfs/dbraw/zinc/61/83/49/942618349.db2.gz MXMGREFPKLYEDO-CYBMUJFWSA-N 2 1 358.313 3.644 20 0 FHADMP Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420319491 942620017 /nfs/dbraw/zinc/62/00/17/942620017.db2.gz AEYGZMPYGPSBOD-KBPBESRZSA-N 2 1 363.477 3.910 20 0 FHADMP FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347377 942627710 /nfs/dbraw/zinc/62/77/10/942627710.db2.gz YHTMLRRXAVMCDN-IYBDPMFKSA-N 2 1 356.432 3.796 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CC12CCOCC2 ZINC000420326288 942629428 /nfs/dbraw/zinc/62/94/28/942629428.db2.gz JSJBLMSPPPJWDA-HNNXBMFYSA-N 2 1 354.947 3.510 20 0 FHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000502673498 942634019 /nfs/dbraw/zinc/63/40/19/942634019.db2.gz YOELDSURESEEBB-UHFFFAOYSA-N 2 1 359.558 3.623 20 0 FHADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420353217 942634740 /nfs/dbraw/zinc/63/47/40/942634740.db2.gz BNOMSODHOSAOLR-IBGZPJMESA-N 2 1 355.482 3.771 20 0 FHADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000420381747 942647452 /nfs/dbraw/zinc/64/74/52/942647452.db2.gz ZJJRUBXTWAMIDC-INIZCTEOSA-N 2 1 357.420 3.531 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000501745663 942648416 /nfs/dbraw/zinc/64/84/16/942648416.db2.gz WUAGBJDSGBFDLZ-HXUWFJFHSA-N 2 1 373.541 3.754 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000502692340 942650457 /nfs/dbraw/zinc/65/04/57/942650457.db2.gz BOOSMDPNJUQLID-MRXNPFEDSA-N 2 1 356.514 3.578 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000502692340 942650461 /nfs/dbraw/zinc/65/04/61/942650461.db2.gz BOOSMDPNJUQLID-MRXNPFEDSA-N 2 1 356.514 3.578 20 0 FHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000420396430 942654543 /nfs/dbraw/zinc/65/45/43/942654543.db2.gz FEBRWYSXHMQWIH-ZJUUUORDSA-N 2 1 354.317 3.879 20 0 FHADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420403502 942661657 /nfs/dbraw/zinc/66/16/57/942661657.db2.gz LAGJBEOQAJNBDW-HKUYNNGSSA-N 2 1 351.494 3.599 20 0 FHADMP C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501788925 942673581 /nfs/dbraw/zinc/67/35/81/942673581.db2.gz JNHQEOLLSWQMDZ-HNNXBMFYSA-N 2 1 374.554 3.677 20 0 FHADMP Cc1nc(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000502719304 942681586 /nfs/dbraw/zinc/68/15/86/942681586.db2.gz XBLDJCPPICJEMD-UHFFFAOYSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1[nH]nc2ncc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc12 ZINC000513754171 942736033 /nfs/dbraw/zinc/73/60/33/942736033.db2.gz IPWGBLSSHKQHFD-UHFFFAOYSA-N 2 1 363.509 3.610 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000514089128 942740937 /nfs/dbraw/zinc/74/09/37/942740937.db2.gz ORYXMBWSQVIEPK-BZSNNMDCSA-N 2 1 356.432 3.728 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000514089997 942741050 /nfs/dbraw/zinc/74/10/50/942741050.db2.gz SGLQULBSAJBQEG-ACRUOGEOSA-N 2 1 351.494 3.623 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000514094242 942744132 /nfs/dbraw/zinc/74/41/32/942744132.db2.gz MQXLHMUIZCOQRK-XHSDSOJGSA-N 2 1 352.544 3.943 20 0 FHADMP C[N@@H+](CCCO[C@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000514130499 942763122 /nfs/dbraw/zinc/76/31/22/942763122.db2.gz LGAOQZVTANIYGL-NRFANRHFSA-N 2 1 361.530 3.553 20 0 FHADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000514138586 942776231 /nfs/dbraw/zinc/77/62/31/942776231.db2.gz QKTWENVCQHTDPN-KRWDZBQOSA-N 2 1 354.498 3.716 20 0 FHADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000514138587 942776445 /nfs/dbraw/zinc/77/64/45/942776445.db2.gz QKTWENVCQHTDPN-QGZVFWFLSA-N 2 1 354.498 3.716 20 0 FHADMP C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000378522405 942849794 /nfs/dbraw/zinc/84/97/94/942849794.db2.gz SLRLIJVBAMNHEQ-FUHWJXTLSA-N 2 1 374.573 3.586 20 0 FHADMP c1cnn(-c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)c1 ZINC000434679511 942849942 /nfs/dbraw/zinc/84/99/42/942849942.db2.gz CUECCPDLKSHFNJ-UHFFFAOYSA-N 2 1 361.493 3.785 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000421847452 942858786 /nfs/dbraw/zinc/85/87/86/942858786.db2.gz XMHKCWDEIWRHCZ-JVPBZIDWSA-N 2 1 366.933 3.767 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000273207609 942908204 /nfs/dbraw/zinc/90/82/04/942908204.db2.gz KYRPUHOUHXEENH-UHFFFAOYSA-N 2 1 354.498 3.725 20 0 FHADMP C[C@@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000309735973 942974566 /nfs/dbraw/zinc/97/45/66/942974566.db2.gz QNTDRDJVSYBZSA-IBGZPJMESA-N 2 1 374.326 3.846 20 0 FHADMP C[C@@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309735973 942974576 /nfs/dbraw/zinc/97/45/76/942974576.db2.gz QNTDRDJVSYBZSA-IBGZPJMESA-N 2 1 374.326 3.846 20 0 FHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856898 943016261 /nfs/dbraw/zinc/01/62/61/943016261.db2.gz BIKBDJPQUPFRTF-HNNXBMFYSA-N 2 1 362.315 3.545 20 0 FHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OCc1ccncc1 ZINC000414856972 943030774 /nfs/dbraw/zinc/03/07/74/943030774.db2.gz ZVHPHXITIBMAGZ-FQEVSTJZSA-N 2 1 369.509 3.666 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271839515 943058803 /nfs/dbraw/zinc/05/88/03/943058803.db2.gz YFKIMQVWKVKAIB-QGZVFWFLSA-N 2 1 350.466 3.906 20 0 FHADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)ccc1OCc1ccncc1 ZINC000414860187 943069912 /nfs/dbraw/zinc/06/99/12/943069912.db2.gz OSGRZNGNLMNDKX-UHFFFAOYSA-N 2 1 369.509 3.811 20 0 FHADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC000414651018 943097038 /nfs/dbraw/zinc/09/70/38/943097038.db2.gz DPJNOUYSCUVXEB-UHFFFAOYSA-N 2 1 360.505 3.830 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000414662364 943145692 /nfs/dbraw/zinc/14/56/92/943145692.db2.gz RDMDRHKSCZTPHE-AVRDEDQJSA-N 2 1 360.505 3.768 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663851 943151198 /nfs/dbraw/zinc/15/11/98/943151198.db2.gz RYBAPJOXWVAUEB-QAPCUYQASA-N 2 1 358.457 3.582 20 0 FHADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422695003 943248239 /nfs/dbraw/zinc/24/82/39/943248239.db2.gz OTFULIWIBOEVTO-FIKMYACPSA-N 2 1 356.441 3.741 20 0 FHADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713381 943254251 /nfs/dbraw/zinc/25/42/51/943254251.db2.gz JOIXIEWTJPORLM-WZYRSQIMSA-N 2 1 373.585 3.596 20 0 FHADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422716325 943256012 /nfs/dbraw/zinc/25/60/12/943256012.db2.gz UGMFFAMFYJGLJM-PMACEKPBSA-N 2 1 355.457 3.828 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422748860 943270348 /nfs/dbraw/zinc/27/03/48/943270348.db2.gz WNTGUGRJUZRHPA-AEFFLSMTSA-N 2 1 352.526 3.725 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768800 943276347 /nfs/dbraw/zinc/27/63/47/943276347.db2.gz UYLKECMGERJJEP-SKWUIDRYSA-N 2 1 369.475 3.676 20 0 FHADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797027 943287196 /nfs/dbraw/zinc/28/71/96/943287196.db2.gz KXXUDGAWKWCASB-DXBBTUNJSA-N 2 1 359.558 3.588 20 0 FHADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422806006 943290115 /nfs/dbraw/zinc/29/01/15/943290115.db2.gz HOYCVLVQZPQTLL-FGZHOGPDSA-N 2 1 365.521 3.752 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)c2ccccc21 ZINC000422808174 943290339 /nfs/dbraw/zinc/29/03/39/943290339.db2.gz APFOXJZGCAQBKV-MSOLQXFVSA-N 2 1 350.384 4.000 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828861 943297969 /nfs/dbraw/zinc/29/79/69/943297969.db2.gz BNJRPZQZGLDKLH-CWJKEVGVSA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828861 943297976 /nfs/dbraw/zinc/29/79/76/943297976.db2.gz BNJRPZQZGLDKLH-CWJKEVGVSA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828861 943297981 /nfs/dbraw/zinc/29/79/81/943297981.db2.gz BNJRPZQZGLDKLH-CWJKEVGVSA-N 2 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828861 943297985 /nfs/dbraw/zinc/29/79/85/943297985.db2.gz BNJRPZQZGLDKLH-CWJKEVGVSA-N 2 1 361.599 3.861 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422837477 943301126 /nfs/dbraw/zinc/30/11/26/943301126.db2.gz UQEJMWAZISTECJ-KRWDZBQOSA-N 2 1 363.509 3.529 20 0 FHADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCC(C)CC1 ZINC000422851545 943306523 /nfs/dbraw/zinc/30/65/23/943306523.db2.gz XCASCPVLQPSVHN-XPNTWCBSSA-N 2 1 371.569 3.588 20 0 FHADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1Br ZINC000422880077 943314922 /nfs/dbraw/zinc/31/49/22/943314922.db2.gz NDOSNOKXEIEJQL-GUYCJALGSA-N 2 1 363.299 3.506 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCC[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422888013 943318398 /nfs/dbraw/zinc/31/83/98/943318398.db2.gz ZPSPZVNTICEWKZ-BWAGFHJFSA-N 2 1 359.558 3.590 20 0 FHADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422902191 943325209 /nfs/dbraw/zinc/32/52/09/943325209.db2.gz TZKNXWNCUWYCQF-XPWALMASSA-N 2 1 355.570 3.860 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422911227 943328406 /nfs/dbraw/zinc/32/84/06/943328406.db2.gz KKJUMUFQEVVDAN-YTFSRNRJSA-N 2 1 371.569 3.562 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422895863 943331538 /nfs/dbraw/zinc/33/15/38/943331538.db2.gz XBFABDXLGWIHLI-NQIIRXRSSA-N 2 1 352.526 3.510 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414704955 943336310 /nfs/dbraw/zinc/33/63/10/943336310.db2.gz DZLKEBRAKCGVTC-KRWDZBQOSA-N 2 1 368.472 3.555 20 0 FHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422942464 943340277 /nfs/dbraw/zinc/34/02/77/943340277.db2.gz KIOGJQHUCWVBSN-FVJLSDCUSA-N 2 1 353.510 3.719 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922378 943347005 /nfs/dbraw/zinc/34/70/05/943347005.db2.gz KSNFJGYSYPVYET-ROUUACIJSA-N 2 1 351.560 3.512 20 0 FHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000514867079 943348937 /nfs/dbraw/zinc/34/89/37/943348937.db2.gz IOFMGDCJPMGBKP-HXUWFJFHSA-N 2 1 352.478 3.687 20 0 FHADMP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422959214 943350017 /nfs/dbraw/zinc/35/00/17/943350017.db2.gz RBDSHVZUCCLJMC-XQBPLPMBSA-N 2 1 350.462 3.582 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422994966 943353469 /nfs/dbraw/zinc/35/34/69/943353469.db2.gz WQSOZTNPXPCAPL-MJXNMMHHSA-N 2 1 364.411 3.591 20 0 FHADMP CC[N@@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435373787 943355085 /nfs/dbraw/zinc/35/50/85/943355085.db2.gz VMGMSNFLYJVVBT-HXUWFJFHSA-N 2 1 369.509 3.633 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000435374342 943355889 /nfs/dbraw/zinc/35/58/89/943355889.db2.gz QKUBDHFYRVWUAF-KUHUBIRLSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000435374342 943355893 /nfs/dbraw/zinc/35/58/93/943355893.db2.gz QKUBDHFYRVWUAF-KUHUBIRLSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435375348 943356700 /nfs/dbraw/zinc/35/67/00/943356700.db2.gz MHDHPGKPYQUFLL-QAPCUYQASA-N 2 1 352.507 3.770 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435375348 943356703 /nfs/dbraw/zinc/35/67/03/943356703.db2.gz MHDHPGKPYQUFLL-QAPCUYQASA-N 2 1 352.507 3.770 20 0 FHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895749 943357176 /nfs/dbraw/zinc/35/71/76/943357176.db2.gz BLSIUFZUYWUYRJ-NKKJXINNSA-N 2 1 367.581 3.871 20 0 FHADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895752 943357318 /nfs/dbraw/zinc/35/73/18/943357318.db2.gz BLSIUFZUYWUYRJ-ZTCOLXNVSA-N 2 1 367.581 3.871 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000414708323 943357831 /nfs/dbraw/zinc/35/78/31/943357831.db2.gz IVTQKBSSCJBCIE-GOSISDBHSA-N 2 1 358.530 3.715 20 0 FHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435368013 943362547 /nfs/dbraw/zinc/36/25/47/943362547.db2.gz DIYAQHSTGNTFOF-GOSISDBHSA-N 2 1 358.457 3.584 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435368013 943362552 /nfs/dbraw/zinc/36/25/52/943362552.db2.gz DIYAQHSTGNTFOF-GOSISDBHSA-N 2 1 358.457 3.584 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371587 943364814 /nfs/dbraw/zinc/36/48/14/943364814.db2.gz NSCAAHZVWODVSJ-MJGOQNOKSA-N 2 1 352.526 3.784 20 0 FHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371175 943364890 /nfs/dbraw/zinc/36/48/90/943364890.db2.gz LPKJLUXJVOFTKH-GDBMZVCRSA-N 2 1 357.885 3.761 20 0 FHADMP [NH3+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000435380706 943368647 /nfs/dbraw/zinc/36/86/47/943368647.db2.gz PBXPWCAOOLEZQV-UHFFFAOYSA-N 2 1 350.441 3.602 20 0 FHADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022894 943369166 /nfs/dbraw/zinc/36/91/66/943369166.db2.gz IMYLTRKAPRGFRW-ARKSPBFVSA-N 2 1 353.913 3.592 20 0 FHADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022901 943369743 /nfs/dbraw/zinc/36/97/43/943369743.db2.gz IMYLTRKAPRGFRW-UAFONNFLSA-N 2 1 353.913 3.592 20 0 FHADMP COc1cccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000505682588 943369858 /nfs/dbraw/zinc/36/98/58/943369858.db2.gz FWYZCWMJEPFWNR-UHFFFAOYSA-N 2 1 367.537 3.858 20 0 FHADMP COc1ccc([C@H](C)C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435394157 943380530 /nfs/dbraw/zinc/38/05/30/943380530.db2.gz MOCKYLLLRYTNKV-NQIIRXRSSA-N 2 1 353.510 3.838 20 0 FHADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1c[nH+]ccc1N ZINC000423070764 943381391 /nfs/dbraw/zinc/38/13/91/943381391.db2.gz NPCOCUXGFLSBJU-YPMHNXCESA-N 2 1 351.281 3.730 20 0 FHADMP OCC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC(c2ccccc2)C1 ZINC000423085477 943388863 /nfs/dbraw/zinc/38/88/63/943388863.db2.gz JZLLRXSSYQVBAP-NULCOVKLSA-N 2 1 350.506 3.626 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435396331 943390472 /nfs/dbraw/zinc/39/04/72/943390472.db2.gz YDIQUIVMWBJZLC-SFHVURJKSA-N 2 1 352.526 3.657 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435396331 943390476 /nfs/dbraw/zinc/39/04/76/943390476.db2.gz YDIQUIVMWBJZLC-SFHVURJKSA-N 2 1 352.526 3.657 20 0 FHADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423113319 943405953 /nfs/dbraw/zinc/40/59/53/943405953.db2.gz UANPRGWXIVIURT-LLVKDONJSA-N 2 1 369.387 3.607 20 0 FHADMP C[C@H]([NH2+]CCc1ccc(Br)cc1Cl)c1c[nH+]ccc1N ZINC000423143711 943419186 /nfs/dbraw/zinc/41/91/86/943419186.db2.gz DVQZLVFITJLTIY-JTQLQIEISA-N 2 1 354.679 3.803 20 0 FHADMP C[C@@H]([NH2+]CCc1ccc(Br)cc1Cl)c1c[nH+]ccc1N ZINC000423143712 943419235 /nfs/dbraw/zinc/41/92/35/943419235.db2.gz DVQZLVFITJLTIY-SNVBAGLBSA-N 2 1 354.679 3.803 20 0 FHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000423172247 943425258 /nfs/dbraw/zinc/42/52/58/943425258.db2.gz RYQVFUFTCKPBKB-RHSMWYFYSA-N 2 1 372.962 3.534 20 0 FHADMP Clc1ccccc1C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@@H]1CCCO1 ZINC000423188268 943435068 /nfs/dbraw/zinc/43/50/68/943435068.db2.gz NIHFNWDNWFNOEP-RTWAWAEBSA-N 2 1 373.928 3.595 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215896 943446430 /nfs/dbraw/zinc/44/64/30/943446430.db2.gz PDADYADARLAQSS-VZXCTWEBSA-N 3 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215896 943446432 /nfs/dbraw/zinc/44/64/32/943446432.db2.gz PDADYADARLAQSS-VZXCTWEBSA-N 2 1 353.554 3.550 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215896 943446435 /nfs/dbraw/zinc/44/64/35/943446435.db2.gz PDADYADARLAQSS-VZXCTWEBSA-N 2 1 353.554 3.550 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000423252629 943460256 /nfs/dbraw/zinc/46/02/56/943460256.db2.gz XXBGKZXPWODVHM-COPCDDAFSA-N 2 1 361.574 3.536 20 0 FHADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423279462 943469789 /nfs/dbraw/zinc/46/97/89/943469789.db2.gz RYEDSTMFCJCNGO-UZLBHIALSA-N 2 1 352.482 3.547 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066350 943484445 /nfs/dbraw/zinc/48/44/45/943484445.db2.gz OXSICUYSHQHPRE-YMPZKCBVSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000515066350 943484448 /nfs/dbraw/zinc/48/44/48/943484448.db2.gz OXSICUYSHQHPRE-YMPZKCBVSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515066350 943484452 /nfs/dbraw/zinc/48/44/52/943484452.db2.gz OXSICUYSHQHPRE-YMPZKCBVSA-N 2 1 355.570 3.847 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C1 ZINC000584723618 943490572 /nfs/dbraw/zinc/49/05/72/943490572.db2.gz ZWLPQGBPMDLRAM-IEBWSBKVSA-N 2 1 363.571 3.909 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000423444253 943513099 /nfs/dbraw/zinc/51/30/99/943513099.db2.gz WOIQMIRLDTWHGO-FOIQADDNSA-N 2 1 354.498 3.656 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414746796 943525126 /nfs/dbraw/zinc/52/51/26/943525126.db2.gz MCGQKQABWKUPOP-MKBNYLNASA-N 2 1 359.297 3.527 20 0 FHADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414746796 943525129 /nfs/dbraw/zinc/52/51/29/943525129.db2.gz MCGQKQABWKUPOP-MKBNYLNASA-N 2 1 359.297 3.527 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626281 943527099 /nfs/dbraw/zinc/52/70/99/943527099.db2.gz ODHYPXPGVUYQKC-GOSISDBHSA-N 2 1 367.493 3.881 20 0 FHADMP c1[nH+]c2cc(NC3(C4CCOCC4)CC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001167743396 943527737 /nfs/dbraw/zinc/52/77/37/943527737.db2.gz AOMUNOKKCHKNOK-SFHVURJKSA-N 2 1 354.498 3.722 20 0 FHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1OC ZINC000423506416 943531698 /nfs/dbraw/zinc/53/16/98/943531698.db2.gz IVLRXACISSQFQC-TVPLGVNVSA-N 2 1 365.949 3.606 20 0 FHADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512146 943542164 /nfs/dbraw/zinc/54/21/64/943542164.db2.gz OFIUNCBABXEZPM-WWDZGPRUSA-N 2 1 355.526 3.862 20 0 FHADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(N2CCCC2=O)c1 ZINC000423527469 943547243 /nfs/dbraw/zinc/54/72/43/943547243.db2.gz MODXMGDVFROPBI-VBVZNHOFSA-N 2 1 367.537 3.618 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1c(C)cccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435697875 943562796 /nfs/dbraw/zinc/56/27/96/943562796.db2.gz UIOKDYRLHGATBI-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1c(C)cccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435697875 943562801 /nfs/dbraw/zinc/56/28/01/943562801.db2.gz UIOKDYRLHGATBI-FQEVSTJZSA-N 2 1 352.526 3.664 20 0 FHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000423702851 943595591 /nfs/dbraw/zinc/59/55/91/943595591.db2.gz ZAUUFVHXAWLHRL-NFBKMPQASA-N 2 1 361.489 3.531 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773173 943714825 /nfs/dbraw/zinc/71/48/25/943714825.db2.gz DCNWJZJAWDBNAJ-NEPJUHHUSA-N 2 1 359.258 3.549 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773173 943714848 /nfs/dbraw/zinc/71/48/48/943714848.db2.gz DCNWJZJAWDBNAJ-NEPJUHHUSA-N 2 1 359.258 3.549 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(F)cc(C)cc3F)CC2)oc1C ZINC000424136371 943747772 /nfs/dbraw/zinc/74/77/72/943747772.db2.gz ALTADKRKNTXSSH-UHFFFAOYSA-N 2 1 363.452 3.880 20 0 FHADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846979 943760301 /nfs/dbraw/zinc/76/03/01/943760301.db2.gz VJRLBJAZWOHXKJ-OXJNMPFZSA-N 2 1 364.468 3.990 20 0 FHADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584846979 943760304 /nfs/dbraw/zinc/76/03/04/943760304.db2.gz VJRLBJAZWOHXKJ-OXJNMPFZSA-N 2 1 364.468 3.990 20 0 FHADMP [NH3+][C@H](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178774 943762344 /nfs/dbraw/zinc/76/23/44/943762344.db2.gz WVISLVKNSCUXSR-QKNQBKEWSA-N 2 1 361.574 3.540 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000516883030 943793104 /nfs/dbraw/zinc/79/31/04/943793104.db2.gz AZCYTTOFQIYNKK-UHFFFAOYSA-N 2 1 371.569 3.716 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256702 943804567 /nfs/dbraw/zinc/80/45/67/943804567.db2.gz NRSYLGNXAWIHGL-IPMKNSEASA-N 2 1 363.590 3.514 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1F ZINC000424296815 943826103 /nfs/dbraw/zinc/82/61/03/943826103.db2.gz SIFWKYYAZBWNLS-MRXNPFEDSA-N 2 1 372.488 3.581 20 0 FHADMP COCCC[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424273567 943829400 /nfs/dbraw/zinc/82/94/00/943829400.db2.gz SZRWXPKEAUJVRZ-LJQANCHMSA-N 2 1 359.539 3.517 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785574 943880959 /nfs/dbraw/zinc/88/09/59/943880959.db2.gz SVGGZFPHGMAOOV-PMACEKPBSA-N 2 1 351.494 3.579 20 0 FHADMP Cc1ccc(OCc2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424386163 943894416 /nfs/dbraw/zinc/89/44/16/943894416.db2.gz XBIUPCGHDHFAQE-QGZVFWFLSA-N 2 1 371.550 3.995 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)oc1C ZINC000417901781 943937657 /nfs/dbraw/zinc/93/76/57/943937657.db2.gz OMAFTRWFSFLESI-SFTDATJTSA-N 2 1 353.510 3.897 20 0 FHADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790529 943939282 /nfs/dbraw/zinc/93/92/82/943939282.db2.gz ZZIOKPACNPQNKW-HUUCEWRRSA-N 2 1 360.395 3.588 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437583258 943945265 /nfs/dbraw/zinc/94/52/65/943945265.db2.gz ONIYMYJONGPLFC-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437583258 943945268 /nfs/dbraw/zinc/94/52/68/943945268.db2.gz ONIYMYJONGPLFC-KRWDZBQOSA-N 2 1 356.432 3.791 20 0 FHADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515520643 943975343 /nfs/dbraw/zinc/97/53/43/943975343.db2.gz HGCZTKCGRQJPLQ-RDGPPVDQSA-N 2 1 359.558 3.557 20 0 FHADMP COc1cccc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000072726741 943985891 /nfs/dbraw/zinc/98/58/91/943985891.db2.gz DQDMTVYOKMRDMV-HSZRJFAPSA-N 2 1 367.537 3.552 20 0 FHADMP COc1ccc2c(c1)c(CC[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960285 944015771 /nfs/dbraw/zinc/01/57/71/944015771.db2.gz XLCNAZOAWYXYMQ-DFNIBXOVSA-N 2 1 353.510 3.729 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000417973408 944027668 /nfs/dbraw/zinc/02/76/68/944027668.db2.gz CKXMJXQAGWVKQA-RJGXRXQPSA-N 2 1 350.506 3.537 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500059458 944032017 /nfs/dbraw/zinc/03/20/17/944032017.db2.gz MASHWEUOSHPDKV-GMAHTHKFSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]1C[C@@H](NCc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195901 944079035 /nfs/dbraw/zinc/07/90/35/944079035.db2.gz FXEAKLBTFARETN-UGKGYDQZSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1Cc1ccccc1 ZINC000517195901 944079043 /nfs/dbraw/zinc/07/90/43/944079043.db2.gz FXEAKLBTFARETN-UGKGYDQZSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000517195901 944079051 /nfs/dbraw/zinc/07/90/51/944079051.db2.gz FXEAKLBTFARETN-UGKGYDQZSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000517195901 944079054 /nfs/dbraw/zinc/07/90/54/944079054.db2.gz FXEAKLBTFARETN-UGKGYDQZSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414816501 944116379 /nfs/dbraw/zinc/11/63/79/944116379.db2.gz XHBXXKBEPOSPTQ-XIKOKIGWSA-N 2 1 363.299 3.697 20 0 FHADMP CCC[C@H](C)[C@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000517245430 944138860 /nfs/dbraw/zinc/13/88/60/944138860.db2.gz UHMWNSQAPVONJP-GHTZIAJQSA-N 2 1 363.590 3.610 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515756404 944184819 /nfs/dbraw/zinc/18/48/19/944184819.db2.gz BTIVLBJNHGLOOT-MSOLQXFVSA-N 2 1 359.558 3.844 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(SC)cc2)[C@@H](C)C1 ZINC000436302537 944186244 /nfs/dbraw/zinc/18/62/44/944186244.db2.gz AYONEOMBDLSUHB-FXAWDEMLSA-N 2 1 350.572 3.678 20 0 FHADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000436415490 944287730 /nfs/dbraw/zinc/28/77/30/944287730.db2.gz RSZNCZJJTJCLRC-SFHVURJKSA-N 2 1 367.493 3.691 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474514 944303709 /nfs/dbraw/zinc/30/37/09/944303709.db2.gz NJCFZJPOFNIQNY-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474514 944303710 /nfs/dbraw/zinc/30/37/10/944303710.db2.gz NJCFZJPOFNIQNY-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474514 944303711 /nfs/dbraw/zinc/30/37/11/944303711.db2.gz NJCFZJPOFNIQNY-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474514 944303717 /nfs/dbraw/zinc/30/37/17/944303717.db2.gz NJCFZJPOFNIQNY-YPAWHYETSA-N 2 1 374.569 3.630 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000473736578 944313195 /nfs/dbraw/zinc/31/31/95/944313195.db2.gz BEZSNWOCRXWPNS-GHTZIAJQSA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000473736578 944313204 /nfs/dbraw/zinc/31/32/04/944313204.db2.gz BEZSNWOCRXWPNS-GHTZIAJQSA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000473736578 944313211 /nfs/dbraw/zinc/31/32/11/944313211.db2.gz BEZSNWOCRXWPNS-GHTZIAJQSA-N 2 1 374.573 3.591 20 0 FHADMP Cc1cc(N2CCC([N@H+](C)C[C@H](C)O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000436442821 944318075 /nfs/dbraw/zinc/31/80/75/944318075.db2.gz QYNZRBHKFFKVCJ-HNNXBMFYSA-N 2 1 361.917 3.786 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C)CC[C@H]2C)c1 ZINC000473731185 944318043 /nfs/dbraw/zinc/31/80/43/944318043.db2.gz DRUZWDCYZCKYMZ-LJQANCHMSA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000473731185 944318049 /nfs/dbraw/zinc/31/80/49/944318049.db2.gz DRUZWDCYZCKYMZ-LJQANCHMSA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000473731185 944318055 /nfs/dbraw/zinc/31/80/55/944318055.db2.gz DRUZWDCYZCKYMZ-LJQANCHMSA-N 2 1 374.573 3.544 20 0 FHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000550180374 944359605 /nfs/dbraw/zinc/35/96/05/944359605.db2.gz BLGIUZJJAAEXQT-LAUBAEHRSA-N 2 1 362.477 3.632 20 0 FHADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(C)ccc1OC ZINC000518607629 944531465 /nfs/dbraw/zinc/53/14/65/944531465.db2.gz IGYZXSKZGQWEEI-IBGZPJMESA-N 2 1 357.498 3.580 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964334 944532972 /nfs/dbraw/zinc/53/29/72/944532972.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964334 944532976 /nfs/dbraw/zinc/53/29/76/944532976.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964334 944532979 /nfs/dbraw/zinc/53/29/79/944532979.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964334 944532983 /nfs/dbraw/zinc/53/29/83/944532983.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167964334 944532987 /nfs/dbraw/zinc/53/29/87/944532987.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964334 944532991 /nfs/dbraw/zinc/53/29/91/944532991.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167964334 944532997 /nfs/dbraw/zinc/53/29/97/944532997.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 3 1 353.554 3.504 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219329 944582358 /nfs/dbraw/zinc/58/23/58/944582358.db2.gz ZZQGZPNPUOSFCE-VJBMBRPKSA-N 2 1 374.569 3.591 20 0 FHADMP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000550262671 944621427 /nfs/dbraw/zinc/62/14/27/944621427.db2.gz NKEYBQBXJDSZDL-FQEVSTJZSA-N 2 1 356.535 3.767 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000418475339 944674447 /nfs/dbraw/zinc/67/44/47/944674447.db2.gz ZBNNQTWYIBVKHH-HBFSDRIKSA-N 2 1 372.557 3.502 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000638739479 944693868 /nfs/dbraw/zinc/69/38/68/944693868.db2.gz SHTWBXSCSXIRSA-NLEAXPPASA-N 2 1 352.526 3.617 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390698236 944734038 /nfs/dbraw/zinc/73/40/38/944734038.db2.gz SFRLLPHBECFHSG-CBNMVNINSA-N 2 1 372.553 3.999 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390698236 944734042 /nfs/dbraw/zinc/73/40/42/944734042.db2.gz SFRLLPHBECFHSG-CBNMVNINSA-N 2 1 372.553 3.999 20 0 FHADMP CC[N@H+]1CCC[C@@H](CN(C)c2cc[nH+]c3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000509610277 944756843 /nfs/dbraw/zinc/75/68/43/944756843.db2.gz VBIZIWQRBIIPDU-HTAPYJJXSA-N 2 1 363.509 3.878 20 0 FHADMP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000517865817 944762891 /nfs/dbraw/zinc/76/28/91/944762891.db2.gz POBQSHYWWVPUDX-PZJWPPBQSA-N 2 1 359.558 3.698 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000438572710 944809692 /nfs/dbraw/zinc/80/96/92/944809692.db2.gz SZBYNJNIYZABNS-IBGZPJMESA-N 2 1 359.901 3.686 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000511695077 944909777 /nfs/dbraw/zinc/90/97/77/944909777.db2.gz GKKCTABHRKVBJB-MOPGFXCFSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000511695077 944909787 /nfs/dbraw/zinc/90/97/87/944909787.db2.gz GKKCTABHRKVBJB-MOPGFXCFSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000511695077 944909793 /nfs/dbraw/zinc/90/97/93/944909793.db2.gz GKKCTABHRKVBJB-MOPGFXCFSA-N 2 1 359.558 3.769 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698205 944912885 /nfs/dbraw/zinc/91/28/85/944912885.db2.gz YDMKWDPKSKAZFQ-MSOLQXFVSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698205 944912891 /nfs/dbraw/zinc/91/28/91/944912891.db2.gz YDMKWDPKSKAZFQ-MSOLQXFVSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698205 944912900 /nfs/dbraw/zinc/91/29/00/944912900.db2.gz YDMKWDPKSKAZFQ-MSOLQXFVSA-N 2 1 357.542 3.521 20 0 FHADMP Clc1ccc(SCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000660466686 944981856 /nfs/dbraw/zinc/98/18/56/944981856.db2.gz BABFQPGUZKFEGG-QGZVFWFLSA-N 2 1 354.947 3.619 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427053850 945036142 /nfs/dbraw/zinc/03/61/42/945036142.db2.gz VCRLPLYQHGWINZ-OAQYLSRUSA-N 2 1 371.569 3.770 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388792743 945043634 /nfs/dbraw/zinc/04/36/34/945043634.db2.gz SARXMDLGZPETMB-HBFSDRIKSA-N 2 1 351.494 3.514 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388792743 945043644 /nfs/dbraw/zinc/04/36/44/945043644.db2.gz SARXMDLGZPETMB-HBFSDRIKSA-N 2 1 351.494 3.514 20 0 FHADMP CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473879496 945572578 /nfs/dbraw/zinc/57/25/78/945572578.db2.gz URBJOUYRIGDGGV-CTNGQTDRSA-N 2 1 374.573 3.585 20 0 FHADMP COc1ccc(CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415083533 945591328 /nfs/dbraw/zinc/59/13/28/945591328.db2.gz NPIYRHWRXVBTDE-PMACEKPBSA-N 2 1 354.494 3.719 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC23CC3)cc1 ZINC000519541726 945697976 /nfs/dbraw/zinc/69/79/76/945697976.db2.gz LHXQQOOKOVGTHA-BQJUDKOJSA-N 2 1 352.522 3.731 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC23CC3)cc1 ZINC000519541726 945697981 /nfs/dbraw/zinc/69/79/81/945697981.db2.gz LHXQQOOKOVGTHA-BQJUDKOJSA-N 2 1 352.522 3.731 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000522735780 945731489 /nfs/dbraw/zinc/73/14/89/945731489.db2.gz PTSHFJNCWYAXGN-GOSISDBHSA-N 2 1 361.505 3.598 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000651719223 945771501 /nfs/dbraw/zinc/77/15/01/945771501.db2.gz MZVQGMVAXAJBDM-JXFKEZNVSA-N 2 1 367.522 3.502 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000651719223 945771508 /nfs/dbraw/zinc/77/15/08/945771508.db2.gz MZVQGMVAXAJBDM-JXFKEZNVSA-N 2 1 367.522 3.502 20 0 FHADMP CCc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[NH+](C)C)cc1 ZINC000110919225 945783916 /nfs/dbraw/zinc/78/39/16/945783916.db2.gz XIPNFUACOXBLHG-FCHUYYIVSA-N 2 1 367.537 3.661 20 0 FHADMP Cc1nc(C)c(C)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000301732104 945937976 /nfs/dbraw/zinc/93/79/76/945937976.db2.gz YJCRPSQOIXDELR-LEWJYISDSA-N 2 1 350.510 3.893 20 0 FHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(Cl)c1O ZINC001167974264 945958747 /nfs/dbraw/zinc/95/87/47/945958747.db2.gz SUHKXUNHLBXYOQ-MQVJKMGUSA-N 2 1 350.890 3.549 20 0 FHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(Cl)c1O ZINC001167974264 945958760 /nfs/dbraw/zinc/95/87/60/945958760.db2.gz SUHKXUNHLBXYOQ-MQVJKMGUSA-N 2 1 350.890 3.549 20 0 FHADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188117818 945975952 /nfs/dbraw/zinc/97/59/52/945975952.db2.gz DWDLKFIAJBTMHI-FQEVSTJZSA-N 2 1 358.505 3.986 20 0 FHADMP CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043490 946069792 /nfs/dbraw/zinc/06/97/92/946069792.db2.gz JNKRWSWBNMDAAU-OAHLLOKOSA-N 2 1 367.484 3.736 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043490 946069805 /nfs/dbraw/zinc/06/98/05/946069805.db2.gz JNKRWSWBNMDAAU-OAHLLOKOSA-N 2 1 367.484 3.736 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043490 946069814 /nfs/dbraw/zinc/06/98/14/946069814.db2.gz JNKRWSWBNMDAAU-OAHLLOKOSA-N 2 1 367.484 3.736 20 0 FHADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000045806804 946161751 /nfs/dbraw/zinc/16/17/51/946161751.db2.gz VSIIJSSXMNLUTM-SFHVURJKSA-N 2 1 373.541 3.610 20 0 FHADMP CC[N@H+](CCC[NH2+]Cc1cn(C)nc1-c1ccncc1)C1CCCCC1 ZINC000651909772 946232436 /nfs/dbraw/zinc/23/24/36/946232436.db2.gz WTEKITCAQNUIBR-UHFFFAOYSA-N 2 1 355.530 3.616 20 0 FHADMP CC[N@@H+](CCC[NH2+]Cc1cn(C)nc1-c1ccncc1)C1CCCCC1 ZINC000651909772 946232444 /nfs/dbraw/zinc/23/24/44/946232444.db2.gz WTEKITCAQNUIBR-UHFFFAOYSA-N 2 1 355.530 3.616 20 0 FHADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000302644574 946269233 /nfs/dbraw/zinc/26/92/33/946269233.db2.gz IYZPRYGUGKZOPG-QGZVFWFLSA-N 2 1 354.542 3.791 20 0 FHADMP C[C@@H]1C[C@@H](N2CCC([NH+](C)C3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056199 946352553 /nfs/dbraw/zinc/35/25/53/946352553.db2.gz DAQOYHMBUHDLKH-BBIADKPPSA-N 2 1 355.570 3.987 20 0 FHADMP C[C@@H]1C[C@@H](N2CCC([N@H+](C)C3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056199 946352564 /nfs/dbraw/zinc/35/25/64/946352564.db2.gz DAQOYHMBUHDLKH-BBIADKPPSA-N 2 1 355.570 3.987 20 0 FHADMP C[C@@H]1C[C@@H](N2CCC([N@@H+](C)C3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056199 946352575 /nfs/dbraw/zinc/35/25/75/946352575.db2.gz DAQOYHMBUHDLKH-BBIADKPPSA-N 2 1 355.570 3.987 20 0 FHADMP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000302868382 946359517 /nfs/dbraw/zinc/35/95/17/946359517.db2.gz WWIHWANZZIOMCT-OKILXGFUSA-N 2 1 360.299 3.612 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc2ccccc2c1 ZINC000441268067 946374888 /nfs/dbraw/zinc/37/48/88/946374888.db2.gz QSGZFFHPWJUISG-MZYLBHOOSA-N 2 1 368.521 3.792 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc2ccccc2c1 ZINC000441268066 946375347 /nfs/dbraw/zinc/37/53/47/946375347.db2.gz QSGZFFHPWJUISG-AKIFATBCSA-N 2 1 368.521 3.792 20 0 FHADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[NH+](CC)CC)CC3)n2)cc1 ZINC000047973736 946471778 /nfs/dbraw/zinc/47/17/78/946471778.db2.gz GTUPRHQULBKWAU-UHFFFAOYSA-N 2 1 356.514 3.853 20 0 FHADMP CC(C)Sc1cccc(Cl)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441376514 946529654 /nfs/dbraw/zinc/52/96/54/946529654.db2.gz ASUSTPRLYRTTTJ-UHFFFAOYSA-N 2 1 370.006 3.956 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475517987 946578320 /nfs/dbraw/zinc/57/83/20/946578320.db2.gz WWLQRHJVZGEUMU-HMFYCAOWSA-N 2 1 369.553 3.550 20 0 FHADMP COc1cccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000655719496 946625244 /nfs/dbraw/zinc/62/52/44/946625244.db2.gz KCNLHKVBHZRRDE-JOCHJYFZSA-N 2 1 366.505 3.705 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561371 946661668 /nfs/dbraw/zinc/66/16/68/946661668.db2.gz YFBQAYNGVXRIDZ-LZVFHYKOSA-N 3 1 367.581 3.894 20 0 FHADMP COC(=O)[C@@H]1C[C@H](C)C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059893 946742687 /nfs/dbraw/zinc/74/26/87/946742687.db2.gz HKPMYTMAYHXNSY-CGBFIWBNSA-N 2 1 358.526 3.559 20 0 FHADMP C[C@@H]1CC([N@H+]2CC[C@H](Oc3ccccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168060276 946780301 /nfs/dbraw/zinc/78/03/01/946780301.db2.gz WGHITPSXNXLXIN-KNKQGSTJSA-N 2 1 365.521 3.976 20 0 FHADMP Cc1cc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345616 946871747 /nfs/dbraw/zinc/87/17/47/946871747.db2.gz GUPZGUSDWGSSPU-CNNODRBYSA-N 2 1 360.542 3.716 20 0 FHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000652346076 946872310 /nfs/dbraw/zinc/87/23/10/946872310.db2.gz SUXGUVDNEICHSH-QKNQBKEWSA-N 2 1 358.526 3.533 20 0 FHADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347998 946879596 /nfs/dbraw/zinc/87/95/96/946879596.db2.gz RHSXPCRUXWNICY-GRZALLJUSA-N 2 1 354.441 3.567 20 0 FHADMP CC(C)c1noc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994728 946889136 /nfs/dbraw/zinc/88/91/36/946889136.db2.gz MHOIGGZZKYYSKN-KAKFPZCNSA-N 2 1 358.530 3.778 20 0 FHADMP CC(C)c1noc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001167994728 946889140 /nfs/dbraw/zinc/88/91/40/946889140.db2.gz MHOIGGZZKYYSKN-KAKFPZCNSA-N 2 1 358.530 3.778 20 0 FHADMP CC(C)c1noc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001167994728 946889150 /nfs/dbraw/zinc/88/91/50/946889150.db2.gz MHOIGGZZKYYSKN-KAKFPZCNSA-N 2 1 358.530 3.778 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976666 946889302 /nfs/dbraw/zinc/88/93/02/946889302.db2.gz RSYIAQXLNIDVMJ-BBWFWOEESA-N 2 1 363.933 3.687 20 0 FHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350449 946894770 /nfs/dbraw/zinc/89/47/70/946894770.db2.gz ZKZKKCSTUSRRJX-SIUPPRGNSA-N 2 1 367.331 3.728 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000523130822 946895393 /nfs/dbraw/zinc/89/53/93/946895393.db2.gz SNWARKAAIORFJG-UHFFFAOYSA-N 2 1 374.573 3.591 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000523130822 946895405 /nfs/dbraw/zinc/89/54/05/946895405.db2.gz SNWARKAAIORFJG-UHFFFAOYSA-N 2 1 374.573 3.591 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000523130822 946895416 /nfs/dbraw/zinc/89/54/16/946895416.db2.gz SNWARKAAIORFJG-UHFFFAOYSA-N 2 1 374.573 3.591 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCOc2cccc3ccccc32)C1 ZINC000652362408 946930617 /nfs/dbraw/zinc/93/06/17/946930617.db2.gz GNBQKJOHCIGWBB-LSWJPFSZSA-N 2 1 368.521 3.970 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2Oc2cccnc2)C1 ZINC000652362567 946930860 /nfs/dbraw/zinc/93/08/60/946930860.db2.gz JVNPXQOVCXFEJC-CBQOVEMMSA-N 2 1 367.493 3.735 20 0 FHADMP c1ccc(-n2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000647978554 946975206 /nfs/dbraw/zinc/97/52/06/946975206.db2.gz USGCOUQEAXKEGY-RBUKOAKNSA-N 2 1 364.537 3.573 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511921975 947006675 /nfs/dbraw/zinc/00/66/75/947006675.db2.gz JDJQBBFLGWAACR-MNKBLEIRSA-N 2 1 372.459 3.725 20 0 FHADMP CN(CC[N@@H+](C)Cc1ccc(-c2cccs2)cc1)C1CC[NH+](C)CC1 ZINC000444664248 947091577 /nfs/dbraw/zinc/09/15/77/947091577.db2.gz QLYFLFRLQIARPN-UHFFFAOYSA-N 2 1 357.567 3.873 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444669986 947093700 /nfs/dbraw/zinc/09/37/00/947093700.db2.gz HRAPHVAVLGHTMS-RXVVDRJESA-N 2 1 369.578 3.873 20 0 FHADMP COc1cc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)c(SC)cc1OC ZINC000662257156 947679543 /nfs/dbraw/zinc/67/95/43/947679543.db2.gz QIMIHWRRIAAWOY-UHFFFAOYSA-N 2 1 372.534 3.703 20 0 FHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265066 947684380 /nfs/dbraw/zinc/68/43/80/947684380.db2.gz WATJTVDBSVTNQF-AEFFLSMTSA-N 2 1 371.550 3.941 20 0 FHADMP C[NH+](CC1=CCSC1)Cc1cccc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000662263324 947684449 /nfs/dbraw/zinc/68/44/49/947684449.db2.gz JPIYVUPZMJVFCJ-UHFFFAOYSA-N 2 1 360.592 3.897 20 0 FHADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)nc2c1 ZINC000662275876 947699824 /nfs/dbraw/zinc/69/98/24/947699824.db2.gz BUBSDMWHFOHQAJ-LJQANCHMSA-N 2 1 360.505 3.897 20 0 FHADMP Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cccc5c4CC[NH2+]C5)C3)[nH]c2c1 ZINC000662275876 947699832 /nfs/dbraw/zinc/69/98/32/947699832.db2.gz BUBSDMWHFOHQAJ-LJQANCHMSA-N 2 1 360.505 3.897 20 0 FHADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)[nH]c2c1 ZINC000662275876 947699839 /nfs/dbraw/zinc/69/98/39/947699839.db2.gz BUBSDMWHFOHQAJ-LJQANCHMSA-N 2 1 360.505 3.897 20 0 FHADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295221 947716655 /nfs/dbraw/zinc/71/66/55/947716655.db2.gz GCMOZBQEYRORSF-FUHWJXTLSA-N 2 1 354.498 3.818 20 0 FHADMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000662294790 947717489 /nfs/dbraw/zinc/71/74/89/947717489.db2.gz NJRYJMDHJNACCM-AWEZNQCLSA-N 2 1 370.324 3.644 20 0 FHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000662294790 947717494 /nfs/dbraw/zinc/71/74/94/947717494.db2.gz NJRYJMDHJNACCM-AWEZNQCLSA-N 2 1 370.324 3.644 20 0 FHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1F ZINC000662295228 947718111 /nfs/dbraw/zinc/71/81/11/947718111.db2.gz UKJCKSCBHYKVSW-MRXNPFEDSA-N 2 1 361.436 3.831 20 0 FHADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662298005 947719675 /nfs/dbraw/zinc/71/96/75/947719675.db2.gz SYCYDDDFPCSXEW-SFHVURJKSA-N 2 1 355.482 3.562 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662299065 947720643 /nfs/dbraw/zinc/72/06/43/947720643.db2.gz ZKAGBSJAWQTJBT-GOSISDBHSA-N 2 1 355.482 3.562 20 0 FHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297272 947723838 /nfs/dbraw/zinc/72/38/38/947723838.db2.gz OXZVURNODCHIOC-LAUBAEHRSA-N 2 1 371.569 3.850 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189397843 947725753 /nfs/dbraw/zinc/72/57/53/947725753.db2.gz VKGOPUCWKQWJTA-FXAWDEMLSA-N 2 1 370.516 3.813 20 0 FHADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189397843 947725755 /nfs/dbraw/zinc/72/57/55/947725755.db2.gz VKGOPUCWKQWJTA-FXAWDEMLSA-N 2 1 370.516 3.813 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306301 947732965 /nfs/dbraw/zinc/73/29/65/947732965.db2.gz QDTNRGDHTKDJIJ-YLJYHZDGSA-N 2 1 358.457 3.722 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662313692 947746508 /nfs/dbraw/zinc/74/65/08/947746508.db2.gz WLRPLWIMIVUDCL-MLGOLLRUSA-N 2 1 358.313 3.771 20 0 FHADMP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(C)c1 ZINC000662327139 947752189 /nfs/dbraw/zinc/75/21/89/947752189.db2.gz KNISFIBWOWHLCE-UHFFFAOYSA-N 2 1 352.526 3.873 20 0 FHADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344087 947806860 /nfs/dbraw/zinc/80/68/60/947806860.db2.gz NNDTWAXKVLADCZ-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344087 947806864 /nfs/dbraw/zinc/80/68/64/947806864.db2.gz NNDTWAXKVLADCZ-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807694 /nfs/dbraw/zinc/80/76/94/947807694.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807700 /nfs/dbraw/zinc/80/77/00/947807700.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807703 /nfs/dbraw/zinc/80/77/03/947807703.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807714 /nfs/dbraw/zinc/80/77/14/947807714.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807718 /nfs/dbraw/zinc/80/77/18/947807718.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 2 1 367.581 3.895 20 0 FHADMP Fc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663344395 947811988 /nfs/dbraw/zinc/81/19/88/947811988.db2.gz SOVAWASORCVYHE-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663344395 947811990 /nfs/dbraw/zinc/81/19/90/947811990.db2.gz SOVAWASORCVYHE-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC(F)F ZINC000663347650 947820825 /nfs/dbraw/zinc/82/08/25/947820825.db2.gz RIQCXGCDPQWEBL-INIZCTEOSA-N 2 1 354.441 3.508 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359437 947847580 /nfs/dbraw/zinc/84/75/80/947847580.db2.gz LNOCAHKWMSADIS-LJQANCHMSA-N 2 1 365.521 3.855 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675950 947974151 /nfs/dbraw/zinc/97/41/51/947974151.db2.gz RHTIVPDGZILVMD-VLIAUNLRSA-N 2 1 373.447 3.978 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675950 947974155 /nfs/dbraw/zinc/97/41/55/947974155.db2.gz RHTIVPDGZILVMD-VLIAUNLRSA-N 2 1 373.447 3.978 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466061 948051049 /nfs/dbraw/zinc/05/10/49/948051049.db2.gz NQWFBOVJOUHWDT-ZFWWWQNUSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466061 948051057 /nfs/dbraw/zinc/05/10/57/948051057.db2.gz NQWFBOVJOUHWDT-ZFWWWQNUSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000663466061 948051066 /nfs/dbraw/zinc/05/10/66/948051066.db2.gz NQWFBOVJOUHWDT-ZFWWWQNUSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466995 948057162 /nfs/dbraw/zinc/05/71/62/948057162.db2.gz YNUKVLUBZUIUTE-HKUYNNGSSA-N 2 1 352.526 3.860 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(-c2ccccc2)nn1C ZINC000663466995 948057166 /nfs/dbraw/zinc/05/71/66/948057166.db2.gz YNUKVLUBZUIUTE-HKUYNNGSSA-N 2 1 352.526 3.860 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058486 /nfs/dbraw/zinc/05/84/86/948058486.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058493 /nfs/dbraw/zinc/05/84/93/948058493.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058501 /nfs/dbraw/zinc/05/85/01/948058501.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058506 /nfs/dbraw/zinc/05/85/06/948058506.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058512 /nfs/dbraw/zinc/05/85/12/948058512.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058516 /nfs/dbraw/zinc/05/85/16/948058516.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058521 /nfs/dbraw/zinc/05/85/21/948058521.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 3 1 367.581 3.894 20 0 FHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166216924 948094622 /nfs/dbraw/zinc/09/46/22/948094622.db2.gz NUGMQGIXXZSMFN-RTBURBONSA-N 2 1 367.493 3.989 20 0 FHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166216924 948094643 /nfs/dbraw/zinc/09/46/43/948094643.db2.gz NUGMQGIXXZSMFN-RTBURBONSA-N 2 1 367.493 3.989 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824230 948104381 /nfs/dbraw/zinc/10/43/81/948104381.db2.gz CTOKMZMXKSOMHN-ZWKOTPCHSA-N 2 1 355.567 3.734 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001167824269 948106820 /nfs/dbraw/zinc/10/68/20/948106820.db2.gz GKDCVOFVVWGKDM-OTWHNJEPSA-N 2 1 364.603 3.550 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824222 948108286 /nfs/dbraw/zinc/10/82/86/948108286.db2.gz CTOKMZMXKSOMHN-MSOLQXFVSA-N 2 1 355.567 3.734 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001167826306 948129958 /nfs/dbraw/zinc/12/99/58/948129958.db2.gz OTYVIYIOMDZFED-OAQYLSRUSA-N 3 1 372.601 3.880 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(CC)nc3)CC2)cs1 ZINC000512004857 948157753 /nfs/dbraw/zinc/15/77/53/948157753.db2.gz FKBPHHGVEOZWNH-UHFFFAOYSA-N 2 1 358.555 3.665 20 0 FHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344584 948172213 /nfs/dbraw/zinc/17/22/13/948172213.db2.gz DWCGZVDQBLPHDQ-IBGZPJMESA-N 2 1 368.521 3.953 20 0 FHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432344584 948172216 /nfs/dbraw/zinc/17/22/16/948172216.db2.gz DWCGZVDQBLPHDQ-IBGZPJMESA-N 2 1 368.521 3.953 20 0 FHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432344585 948172357 /nfs/dbraw/zinc/17/23/57/948172357.db2.gz DWCGZVDQBLPHDQ-LJQANCHMSA-N 2 1 368.521 3.953 20 0 FHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432344585 948172360 /nfs/dbraw/zinc/17/23/60/948172360.db2.gz DWCGZVDQBLPHDQ-LJQANCHMSA-N 2 1 368.521 3.953 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCCO1 ZINC000432346524 948179211 /nfs/dbraw/zinc/17/92/11/948179211.db2.gz LPQPKFGTRGYIRA-ZDUSSCGKSA-N 2 1 362.848 3.532 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001167833370 948221799 /nfs/dbraw/zinc/22/17/99/948221799.db2.gz AKZXWTWWXJFQTN-INIZCTEOSA-N 2 1 352.519 3.655 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167833406 948223563 /nfs/dbraw/zinc/22/35/63/948223563.db2.gz AWRQXPLEOAFPAT-OKYOBFRVSA-N 2 1 367.578 3.732 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000388821236 948227751 /nfs/dbraw/zinc/22/77/51/948227751.db2.gz WIAYCVROXNIUBR-MJGOQNOKSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000388821236 948227758 /nfs/dbraw/zinc/22/77/58/948227758.db2.gz WIAYCVROXNIUBR-MJGOQNOKSA-N 2 1 354.494 3.704 20 0 FHADMP Cc1cccc(C)c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002485 948251939 /nfs/dbraw/zinc/25/19/39/948251939.db2.gz UHTKUZJCQMYTHU-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP Cc1cccc(C)c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002485 948251946 /nfs/dbraw/zinc/25/19/46/948251946.db2.gz UHTKUZJCQMYTHU-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624316 948261031 /nfs/dbraw/zinc/26/10/31/948261031.db2.gz IBELXZBXYGTZET-IMNFJDCFSA-N 2 1 364.533 3.925 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834921 948275085 /nfs/dbraw/zinc/27/50/85/948275085.db2.gz NWGNWJHBGRIDRQ-FXAWDEMLSA-N 2 1 355.567 3.734 20 0 FHADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003653 948296178 /nfs/dbraw/zinc/29/61/78/948296178.db2.gz PWMCBPDPXCGKIM-CBQGHPETSA-N 2 1 350.510 3.710 20 0 FHADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003653 948296193 /nfs/dbraw/zinc/29/61/93/948296193.db2.gz PWMCBPDPXCGKIM-CBQGHPETSA-N 2 1 350.510 3.710 20 0 FHADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003653 948296199 /nfs/dbraw/zinc/29/61/99/948296199.db2.gz PWMCBPDPXCGKIM-CBQGHPETSA-N 2 1 350.510 3.710 20 0 FHADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003513 948300225 /nfs/dbraw/zinc/30/02/25/948300225.db2.gz OFDWXLMBTDLREM-DFNIBXOVSA-N 2 1 365.562 3.629 20 0 FHADMP C[NH+](CCCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003513 948300234 /nfs/dbraw/zinc/30/02/34/948300234.db2.gz OFDWXLMBTDLREM-DFNIBXOVSA-N 2 1 365.562 3.629 20 0 FHADMP C[NH+](CCCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003513 948300243 /nfs/dbraw/zinc/30/02/43/948300243.db2.gz OFDWXLMBTDLREM-DFNIBXOVSA-N 2 1 365.562 3.629 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001167836210 948308831 /nfs/dbraw/zinc/30/88/31/948308831.db2.gz XMRBDDJOPOTHTG-SQNIBIBYSA-N 2 1 353.551 3.581 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001167838091 948312417 /nfs/dbraw/zinc/31/24/17/948312417.db2.gz PSQQZPNQUOIXKP-ROUUACIJSA-N 2 1 355.567 3.876 20 0 FHADMP Cc1cc(N2CCC([NH2+]C/C=C\c3ccc(F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000512053191 948319978 /nfs/dbraw/zinc/31/99/78/948319978.db2.gz PIUZHGYSCBZEAX-ARJAWSKDSA-N 2 1 358.436 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001167840410 948336617 /nfs/dbraw/zinc/33/66/17/948336617.db2.gz GGMGZINNHDLRPV-SQNIBIBYSA-N 2 1 355.567 3.732 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410925 948357141 /nfs/dbraw/zinc/35/71/41/948357141.db2.gz SYEGPEIYXLVLEH-RTBURBONSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410925 948357146 /nfs/dbraw/zinc/35/71/46/948357146.db2.gz SYEGPEIYXLVLEH-RTBURBONSA-N 2 1 353.510 3.900 20 0 FHADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412366 948358837 /nfs/dbraw/zinc/35/88/37/948358837.db2.gz BPTZOLUHGXQIEJ-HOTGVXAUSA-N 2 1 352.544 3.569 20 0 FHADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412366 948358849 /nfs/dbraw/zinc/35/88/49/948358849.db2.gz BPTZOLUHGXQIEJ-HOTGVXAUSA-N 2 1 352.544 3.569 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000278984776 948366086 /nfs/dbraw/zinc/36/60/86/948366086.db2.gz PIQMPEFSRWKIFY-KBPBESRZSA-N 2 1 353.388 3.737 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001167841804 948368471 /nfs/dbraw/zinc/36/84/71/948368471.db2.gz RIFSFMSSOUTIPQ-LJQANCHMSA-N 2 1 351.579 3.612 20 0 FHADMP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000278986571 948368885 /nfs/dbraw/zinc/36/88/85/948368885.db2.gz ZXRXKBMWDXTTPG-CQSZACIVSA-N 2 1 357.454 3.540 20 0 FHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419956 948380398 /nfs/dbraw/zinc/38/03/98/948380398.db2.gz HKMXAQZSMJSVSS-CVEARBPZSA-N 2 1 354.922 3.890 20 0 FHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419956 948380404 /nfs/dbraw/zinc/38/04/04/948380404.db2.gz HKMXAQZSMJSVSS-CVEARBPZSA-N 2 1 354.922 3.890 20 0 FHADMP CCC[N@H+](C[C@@H]1CCO[C@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784762 948390730 /nfs/dbraw/zinc/39/07/30/948390730.db2.gz SWRIKLVKNBXPJF-TZIWHRDSSA-N 2 1 374.573 3.979 20 0 FHADMP CCC[N@@H+](C[C@@H]1CCO[C@H](CC)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000507784762 948390734 /nfs/dbraw/zinc/39/07/34/948390734.db2.gz SWRIKLVKNBXPJF-TZIWHRDSSA-N 2 1 374.573 3.979 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842955 948398864 /nfs/dbraw/zinc/39/88/64/948398864.db2.gz ZYLMYIQSVYXGNB-ROUUACIJSA-N 2 1 355.567 3.686 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000473212613 948403378 /nfs/dbraw/zinc/40/33/78/948403378.db2.gz HSQHWSKFDMWLTP-QUCCMNQESA-N 2 1 351.579 3.656 20 0 FHADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[NH+]1CCCC1 ZINC000512099159 948420950 /nfs/dbraw/zinc/42/09/50/948420950.db2.gz KEDDFBSSIKXZDP-OAHLLOKOSA-N 2 1 366.431 3.713 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000512113126 948454237 /nfs/dbraw/zinc/45/42/37/948454237.db2.gz CBVOQQLCHLYUCR-UHFFFAOYSA-N 2 1 363.387 3.576 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432451426 948457960 /nfs/dbraw/zinc/45/79/60/948457960.db2.gz ZWDSMIPYEDOHMC-VQIMIIECSA-N 2 1 366.933 3.953 20 0 FHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432451426 948457965 /nfs/dbraw/zinc/45/79/65/948457965.db2.gz ZWDSMIPYEDOHMC-VQIMIIECSA-N 2 1 366.933 3.953 20 0 FHADMP COC(=O)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1c1ccccc1 ZINC001168005135 948462120 /nfs/dbraw/zinc/46/21/20/948462120.db2.gz GOCWJMTYSGLSOF-OACCOTFLSA-N 2 1 368.521 3.628 20 0 FHADMP COC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001168005135 948462127 /nfs/dbraw/zinc/46/21/27/948462127.db2.gz GOCWJMTYSGLSOF-OACCOTFLSA-N 2 1 368.521 3.628 20 0 FHADMP COC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001168005135 948462133 /nfs/dbraw/zinc/46/21/33/948462133.db2.gz GOCWJMTYSGLSOF-OACCOTFLSA-N 2 1 368.521 3.628 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512135389 948524293 /nfs/dbraw/zinc/52/42/93/948524293.db2.gz JOPWZPRYIAICAO-KRWDZBQOSA-N 2 1 372.582 3.726 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512135389 948524298 /nfs/dbraw/zinc/52/42/98/948524298.db2.gz JOPWZPRYIAICAO-KRWDZBQOSA-N 2 1 372.582 3.726 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507797162 948580837 /nfs/dbraw/zinc/58/08/37/948580837.db2.gz RBSOKMFPNOLAPK-DBXWQHBBSA-N 2 1 372.532 3.996 20 0 FHADMP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152416089 948594433 /nfs/dbraw/zinc/59/44/33/948594433.db2.gz UOEGFPDYAOISAI-CXAGYDPISA-N 2 1 365.315 3.737 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452678 948783293 /nfs/dbraw/zinc/78/32/93/948783293.db2.gz SYLRRIHIKBVAGS-IYBDPMFKSA-N 2 1 374.447 3.607 20 0 FHADMP CCCCn1nc(C)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000067452836 948790058 /nfs/dbraw/zinc/79/00/58/948790058.db2.gz ZKDUGIIZZOCUSU-IYBDPMFKSA-N 2 1 370.969 3.624 20 0 FHADMP CSc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508530457 948813151 /nfs/dbraw/zinc/81/31/51/948813151.db2.gz HOHHPHNCPZGHOZ-ZDUSSCGKSA-N 2 1 357.361 3.945 20 0 FHADMP CSc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508530457 948813168 /nfs/dbraw/zinc/81/31/68/948813168.db2.gz HOHHPHNCPZGHOZ-ZDUSSCGKSA-N 2 1 357.361 3.945 20 0 FHADMP CSc1cc(Br)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000508530457 948813185 /nfs/dbraw/zinc/81/31/85/948813185.db2.gz HOHHPHNCPZGHOZ-ZDUSSCGKSA-N 2 1 357.361 3.945 20 0 FHADMP CSc1cc(Br)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000508530457 948813199 /nfs/dbraw/zinc/81/31/99/948813199.db2.gz HOHHPHNCPZGHOZ-ZDUSSCGKSA-N 2 1 357.361 3.945 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602672358 568008217 /nfs/dbraw/zinc/00/82/17/568008217.db2.gz XJKSICZFRAZLHO-GSPPDTAYSA-N 2 1 368.546 3.882 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602672358 568008219 /nfs/dbraw/zinc/00/82/19/568008219.db2.gz XJKSICZFRAZLHO-GSPPDTAYSA-N 2 1 368.546 3.882 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000521426925 568009884 /nfs/dbraw/zinc/00/98/84/568009884.db2.gz UPMYQXMLHBNRSU-OTYNDTSQSA-N 2 1 374.569 3.637 20 0 FHADMP [NH3+][C@@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccccc1 ZINC000563094359 568141245 /nfs/dbraw/zinc/14/12/45/568141245.db2.gz HKWAYFQJEFYMIO-KRWDZBQOSA-N 2 1 358.511 3.548 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H](NC3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119698 568224500 /nfs/dbraw/zinc/22/45/00/568224500.db2.gz FTCVNNIFPRYKFP-HWELCPFYSA-N 2 1 353.554 3.790 20 0 FHADMP COc1ncc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1Cl ZINC000516714715 568236495 /nfs/dbraw/zinc/23/64/95/568236495.db2.gz LWPSJRJKUSFTIO-UHFFFAOYSA-N 2 1 365.827 3.592 20 0 FHADMP Cc1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c2ccccc2n1 ZINC000365439744 568674319 /nfs/dbraw/zinc/67/43/19/568674319.db2.gz XRNLCPXBMRUODT-UHFFFAOYSA-N 2 1 353.510 3.618 20 0 FHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC001164417973 718893252 /nfs/dbraw/zinc/89/32/52/718893252.db2.gz MACMJXJFRSENDU-SFTDATJTSA-N 2 1 356.558 3.987 20 0 FHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812597 720143551 /nfs/dbraw/zinc/14/35/51/720143551.db2.gz PIMSNJSGNBRZDL-NFBKMPQASA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001164812597 720143559 /nfs/dbraw/zinc/14/35/59/720143559.db2.gz PIMSNJSGNBRZDL-NFBKMPQASA-N 2 1 365.521 3.728 20 0 FHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001164909978 721747607 /nfs/dbraw/zinc/74/76/07/721747607.db2.gz VYOCEGRMUDTJFR-UHFFFAOYSA-N 2 1 373.460 3.746 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001164909978 721747614 /nfs/dbraw/zinc/74/76/14/721747614.db2.gz VYOCEGRMUDTJFR-UHFFFAOYSA-N 2 1 373.460 3.746 20 0 FHADMP Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165026841 721808822 /nfs/dbraw/zinc/80/88/22/721808822.db2.gz RQZOYQCMMCIORR-JBACZVJFSA-N 2 1 350.510 3.830 20 0 FHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]21 ZINC001165028092 721808831 /nfs/dbraw/zinc/80/88/31/721808831.db2.gz YHURDKBUEVKQJZ-CZTZKLFOSA-N 2 1 362.521 3.702 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]21 ZINC001165028092 721808832 /nfs/dbraw/zinc/80/88/32/721808832.db2.gz YHURDKBUEVKQJZ-CZTZKLFOSA-N 2 1 362.521 3.702 20 0 FHADMP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026119 721811189 /nfs/dbraw/zinc/81/11/89/721811189.db2.gz PGAAMVMZFWNBRV-IOMROCGXSA-N 2 1 366.509 3.612 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001165025642 721826308 /nfs/dbraw/zinc/82/63/08/721826308.db2.gz NFDBMBIJAGCCTF-CEWLAPEOSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001165025645 721826375 /nfs/dbraw/zinc/82/63/75/721826375.db2.gz NFDBMBIJAGCCTF-SESVDKBCSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C)c(C)[nH+]4)CC3)C2)cc1 ZINC001164940901 721924272 /nfs/dbraw/zinc/92/42/72/721924272.db2.gz WATVGKGWEHVWEL-UHFFFAOYSA-N 2 1 365.521 3.878 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942989 936314547 /nfs/dbraw/zinc/31/45/47/936314547.db2.gz FMESUAQFHWUHLR-RBUKOAKNSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942989 936314552 /nfs/dbraw/zinc/31/45/52/936314552.db2.gz FMESUAQFHWUHLR-RBUKOAKNSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942989 936314557 /nfs/dbraw/zinc/31/45/57/936314557.db2.gz FMESUAQFHWUHLR-RBUKOAKNSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942989 936314562 /nfs/dbraw/zinc/31/45/62/936314562.db2.gz FMESUAQFHWUHLR-RBUKOAKNSA-N 2 1 367.537 3.625 20 0 FHADMP Cc1cc[nH+]c2cc(NC3(C(=O)OC(C)(C)C)CCC([NH3+])CC3)ccc12 ZINC001167642883 936329281 /nfs/dbraw/zinc/32/92/81/936329281.db2.gz CAOKNKQKMOLCGP-UHFFFAOYSA-N 2 1 355.482 3.937 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(F)c1 ZINC000162230116 936364766 /nfs/dbraw/zinc/36/47/66/936364766.db2.gz UQYFTRRTLYPVRK-CQSZACIVSA-N 2 1 358.461 3.561 20 0 FHADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000579757637 927309901 /nfs/dbraw/zinc/30/99/01/927309901.db2.gz FVKGPHNIQDFBBP-QGZVFWFLSA-N 2 1 362.315 3.992 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000510055280 927493442 /nfs/dbraw/zinc/49/34/42/927493442.db2.gz LKSUWXHLIKFPJU-KRWDZBQOSA-N 2 1 366.937 3.528 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000078926755 927764333 /nfs/dbraw/zinc/76/43/33/927764333.db2.gz TVAZMKKNJLYGLG-UHFFFAOYSA-N 2 1 359.489 3.593 20 0 FHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000579844483 928407152 /nfs/dbraw/zinc/40/71/52/928407152.db2.gz CAFAOEAKWZUECL-VQIMIIECSA-N 2 1 366.509 3.767 20 0 FHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000579844483 928407161 /nfs/dbraw/zinc/40/71/61/928407161.db2.gz CAFAOEAKWZUECL-VQIMIIECSA-N 2 1 366.509 3.767 20 0 FHADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000583218323 937246302 /nfs/dbraw/zinc/24/63/02/937246302.db2.gz UXQPPQOINOJHIK-GBESFXJTSA-N 2 1 373.447 3.683 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154477756 928859421 /nfs/dbraw/zinc/85/94/21/928859421.db2.gz JYENRDZTQAGRQZ-MRXNPFEDSA-N 2 1 353.551 3.616 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547732293 929062096 /nfs/dbraw/zinc/06/20/96/929062096.db2.gz UVCHTXCCOIOFOV-UHFFFAOYSA-N 2 1 371.569 3.730 20 0 FHADMP C[N@@H+](CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000547737951 929150074 /nfs/dbraw/zinc/15/00/74/929150074.db2.gz HNNIDPCMKHZKMG-UHFFFAOYSA-N 2 1 363.590 3.756 20 0 FHADMP Fc1cccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)c1 ZINC000075625756 929285327 /nfs/dbraw/zinc/28/53/27/929285327.db2.gz MATCKZIXTHAXBU-UHFFFAOYSA-N 2 1 372.488 3.964 20 0 FHADMP C[N@@H+](CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000547751812 929319993 /nfs/dbraw/zinc/31/99/93/929319993.db2.gz KMFOIFRDRIYIAT-UHFFFAOYSA-N 2 1 365.521 3.534 20 0 FHADMP Cn1cc([C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2cccc(F)c2)cn1 ZINC000180043463 929334772 /nfs/dbraw/zinc/33/47/72/929334772.db2.gz PGQBXQWQYZHGIQ-NRFANRHFSA-N 2 1 352.457 3.500 20 0 FHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196362 929413595 /nfs/dbraw/zinc/41/35/95/929413595.db2.gz VQXKUHNHDTZOQQ-DZGCQCFKSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196362 929413600 /nfs/dbraw/zinc/41/36/00/929413600.db2.gz VQXKUHNHDTZOQQ-DZGCQCFKSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196362 929413604 /nfs/dbraw/zinc/41/36/04/929413604.db2.gz VQXKUHNHDTZOQQ-DZGCQCFKSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196362 929413608 /nfs/dbraw/zinc/41/36/08/929413608.db2.gz VQXKUHNHDTZOQQ-DZGCQCFKSA-N 2 1 362.315 3.912 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070170471 929649796 /nfs/dbraw/zinc/64/97/96/929649796.db2.gz JCGMNEAGNYQWQZ-GFCCVEGCSA-N 2 1 361.711 3.542 20 0 FHADMP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312572964 929694882 /nfs/dbraw/zinc/69/48/82/929694882.db2.gz VCTMBSVMMXPHIK-XLIONFOSSA-N 2 1 361.489 3.941 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000275653886 929726734 /nfs/dbraw/zinc/72/67/34/929726734.db2.gz NDBPXJSXUSTSMZ-NRFANRHFSA-N 2 1 365.521 3.641 20 0 FHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657753084 937356490 /nfs/dbraw/zinc/35/64/90/937356490.db2.gz TWYFSUYUEBDCOJ-WTQUMQLASA-N 2 1 366.452 3.534 20 0 FHADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843373 929765186 /nfs/dbraw/zinc/76/51/86/929765186.db2.gz XFDZREKDTXHCGS-LJQANCHMSA-N 2 1 351.494 3.713 20 0 FHADMP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843373 929765191 /nfs/dbraw/zinc/76/51/91/929765191.db2.gz XFDZREKDTXHCGS-LJQANCHMSA-N 2 1 351.494 3.713 20 0 FHADMP C[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843373 929765195 /nfs/dbraw/zinc/76/51/95/929765195.db2.gz XFDZREKDTXHCGS-LJQANCHMSA-N 2 1 351.494 3.713 20 0 FHADMP C[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843373 929765201 /nfs/dbraw/zinc/76/52/01/929765201.db2.gz XFDZREKDTXHCGS-LJQANCHMSA-N 2 1 351.494 3.713 20 0 FHADMP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000162916254 937364768 /nfs/dbraw/zinc/36/47/68/937364768.db2.gz BYQAYXSMQKIANN-QVVXBBKSSA-N 2 1 359.539 3.911 20 0 FHADMP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC[NH+]1CCCCC1 ZINC001167329234 929903887 /nfs/dbraw/zinc/90/38/87/929903887.db2.gz AFHZNIGHRPDJJC-UHFFFAOYSA-N 2 1 358.505 3.956 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000275731537 930061703 /nfs/dbraw/zinc/06/17/03/930061703.db2.gz XIMKKTKTNQOZGH-NRFANRHFSA-N 2 1 369.484 3.533 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000275731537 930061712 /nfs/dbraw/zinc/06/17/12/930061712.db2.gz XIMKKTKTNQOZGH-NRFANRHFSA-N 2 1 369.484 3.533 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000160354534 930197134 /nfs/dbraw/zinc/19/71/34/930197134.db2.gz ACWUADZIFAIWRK-QGZVFWFLSA-N 2 1 372.944 3.723 20 0 FHADMP Cc1ccccc1[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000160363411 930225640 /nfs/dbraw/zinc/22/56/40/930225640.db2.gz BUHYMBLJAGAIFZ-QHCPKHFHSA-N 2 1 352.522 3.872 20 0 FHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099477 930247678 /nfs/dbraw/zinc/24/76/78/930247678.db2.gz IABBVWVVQHTCGL-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099477 930247685 /nfs/dbraw/zinc/24/76/85/930247685.db2.gz IABBVWVVQHTCGL-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099477 930247696 /nfs/dbraw/zinc/24/76/96/930247696.db2.gz IABBVWVVQHTCGL-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1)CC(C)C ZINC000580128549 930283570 /nfs/dbraw/zinc/28/35/70/930283570.db2.gz MCMBUUYHSSTVGU-UHFFFAOYSA-N 2 1 373.589 3.657 20 0 FHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000580232939 930390977 /nfs/dbraw/zinc/39/09/77/930390977.db2.gz DSQQRGQLEUACHY-OALUTQOASA-N 2 1 361.549 3.543 20 0 FHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000580324539 930500934 /nfs/dbraw/zinc/50/09/34/930500934.db2.gz YKORQSNQGGISQT-HXUWFJFHSA-N 2 1 365.521 3.520 20 0 FHADMP CCOc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000160463699 930535258 /nfs/dbraw/zinc/53/52/58/930535258.db2.gz XHIREKHLBIRBCR-GOSISDBHSA-N 2 1 354.494 3.768 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000458515625 937420457 /nfs/dbraw/zinc/42/04/57/937420457.db2.gz DDTFGMVTFWMFKC-INIZCTEOSA-N 2 1 371.529 3.661 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000458515626 937420515 /nfs/dbraw/zinc/42/05/15/937420515.db2.gz DDTFGMVTFWMFKC-MRXNPFEDSA-N 2 1 371.529 3.661 20 0 FHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548084212 930568394 /nfs/dbraw/zinc/56/83/94/930568394.db2.gz UTHJFPONGJMTEN-GOSISDBHSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125182129 930584309 /nfs/dbraw/zinc/58/43/09/930584309.db2.gz DBGBEQNCBPBNDT-KGVIQGDOSA-N 2 1 362.521 3.903 20 0 FHADMP CN(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC001167429256 930998399 /nfs/dbraw/zinc/99/83/99/930998399.db2.gz IBGJQADUAQZKDZ-GOSISDBHSA-N 2 1 352.526 3.609 20 0 FHADMP CN(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC001167429256 930998407 /nfs/dbraw/zinc/99/84/07/930998407.db2.gz IBGJQADUAQZKDZ-GOSISDBHSA-N 2 1 352.526 3.609 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000580768821 931123838 /nfs/dbraw/zinc/12/38/38/931123838.db2.gz HKYMFRZDIPNQFZ-MRXNPFEDSA-N 2 1 351.922 3.770 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434448 931142433 /nfs/dbraw/zinc/14/24/33/931142433.db2.gz VUOPYYXOTMNRPI-JZWVFAODSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434448 931142435 /nfs/dbraw/zinc/14/24/35/931142435.db2.gz VUOPYYXOTMNRPI-JZWVFAODSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001167434448 931142437 /nfs/dbraw/zinc/14/24/37/931142437.db2.gz VUOPYYXOTMNRPI-JZWVFAODSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001167434448 931142441 /nfs/dbraw/zinc/14/24/41/931142441.db2.gz VUOPYYXOTMNRPI-JZWVFAODSA-N 2 1 368.496 3.641 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801764 931166034 /nfs/dbraw/zinc/16/60/34/931166034.db2.gz WYSDEHUNVQQQMR-ZIAGYGMSSA-N 2 1 357.311 3.839 20 0 FHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@@H]3C[N@@H+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404509 931593593 /nfs/dbraw/zinc/59/35/93/931593593.db2.gz ZMTGICAUYSFDFN-YCSHWKNNSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4CC[C@H]3[C@@H]3C[NH+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404509 931593594 /nfs/dbraw/zinc/59/35/94/931593594.db2.gz ZMTGICAUYSFDFN-YCSHWKNNSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@@H+]3C[C@@H]4CC[C@H]3[C@@H]3C[NH+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404509 931593600 /nfs/dbraw/zinc/59/36/00/931593600.db2.gz ZMTGICAUYSFDFN-YCSHWKNNSA-N 2 1 372.516 3.905 20 0 FHADMP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156444 931718646 /nfs/dbraw/zinc/71/86/46/931718646.db2.gz ZAFNCHNWIQOUHI-PZJWPPBQSA-N 2 1 367.537 3.950 20 0 FHADMP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156434 931718674 /nfs/dbraw/zinc/71/86/74/931718674.db2.gz ZAFNCHNWIQOUHI-CTNGQTDRSA-N 2 1 367.537 3.950 20 0 FHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000581273832 931771509 /nfs/dbraw/zinc/77/15/09/931771509.db2.gz ZTZFSHXZRVIWPA-UHFFFAOYSA-N 2 1 373.444 3.782 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000581326741 931840586 /nfs/dbraw/zinc/84/05/86/931840586.db2.gz SDJVKJCXWPNFEV-UHFFFAOYSA-N 2 1 353.466 3.532 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000581326741 931840589 /nfs/dbraw/zinc/84/05/89/931840589.db2.gz SDJVKJCXWPNFEV-UHFFFAOYSA-N 2 1 353.466 3.532 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000581360951 931893823 /nfs/dbraw/zinc/89/38/23/931893823.db2.gz QXAGAJNUHPLOTQ-MPGHIAIKSA-N 2 1 369.937 3.531 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000581360951 931893827 /nfs/dbraw/zinc/89/38/27/931893827.db2.gz QXAGAJNUHPLOTQ-MPGHIAIKSA-N 2 1 369.937 3.531 20 0 FHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000430570257 931903345 /nfs/dbraw/zinc/90/33/45/931903345.db2.gz MYEGYDHALCCERB-NQIIRXRSSA-N 2 1 373.566 3.649 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C[NH3+] ZINC000430582571 931953478 /nfs/dbraw/zinc/95/34/78/931953478.db2.gz KFNABGGZGIBGFA-UHFFFAOYSA-N 2 1 355.482 3.724 20 0 FHADMP C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163159 931974750 /nfs/dbraw/zinc/97/47/50/931974750.db2.gz YTSGAYONLOXJHK-HFSMHLIXSA-N 2 1 357.567 3.851 20 0 FHADMP COc1ccc(Br)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164199 932195256 /nfs/dbraw/zinc/19/52/56/932195256.db2.gz JLFOZYOAZGFLOS-MQVJKMGUSA-N 2 1 353.304 3.563 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430616975 932305822 /nfs/dbraw/zinc/30/58/22/932305822.db2.gz IZEFLUGCLAZLPN-INIZCTEOSA-N 2 1 369.534 3.836 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342850 932376130 /nfs/dbraw/zinc/37/61/30/932376130.db2.gz JHBAAIVAIDRCSB-RXVVDRJESA-N 2 1 359.558 3.719 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342850 932376135 /nfs/dbraw/zinc/37/61/35/932376135.db2.gz JHBAAIVAIDRCSB-RXVVDRJESA-N 2 1 359.558 3.719 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342850 932376142 /nfs/dbraw/zinc/37/61/42/932376142.db2.gz JHBAAIVAIDRCSB-RXVVDRJESA-N 2 1 359.558 3.719 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccccc2F)c1)C1CCOCC1 ZINC000076399887 932377322 /nfs/dbraw/zinc/37/73/22/932377322.db2.gz ZJDZGKHDDCWGSA-UHFFFAOYSA-N 2 1 372.484 3.605 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784069 932419846 /nfs/dbraw/zinc/41/98/46/932419846.db2.gz CJRTUFIEZYNBPF-HNNXBMFYSA-N 2 1 360.452 3.567 20 0 FHADMP Clc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647192268 932873451 /nfs/dbraw/zinc/87/34/51/932873451.db2.gz WYEVQARWZQEXOD-LJQANCHMSA-N 2 1 371.912 3.901 20 0 FHADMP Clc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647192268 932873459 /nfs/dbraw/zinc/87/34/59/932873459.db2.gz WYEVQARWZQEXOD-LJQANCHMSA-N 2 1 371.912 3.901 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000647193521 932901340 /nfs/dbraw/zinc/90/13/40/932901340.db2.gz DRDOEVWDMCUWQS-TUNNFDKTSA-N 2 1 372.578 3.828 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000647193521 932901343 /nfs/dbraw/zinc/90/13/43/932901343.db2.gz DRDOEVWDMCUWQS-TUNNFDKTSA-N 2 1 372.578 3.828 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829932 933072782 /nfs/dbraw/zinc/07/27/82/933072782.db2.gz GVBXGGMBGORFHQ-QZTJIDSGSA-N 2 1 358.448 3.628 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000610575119 933156811 /nfs/dbraw/zinc/15/68/11/933156811.db2.gz DIILVJSGGYORBJ-VWLOTQADSA-N 2 1 358.551 3.672 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000610575119 933156812 /nfs/dbraw/zinc/15/68/12/933156812.db2.gz DIILVJSGGYORBJ-VWLOTQADSA-N 2 1 358.551 3.672 20 0 FHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000510511907 933175090 /nfs/dbraw/zinc/17/50/90/933175090.db2.gz YNHQCJRTFLGFDK-JBYIUTFZSA-N 2 1 359.533 3.694 20 0 FHADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000430948501 933473430 /nfs/dbraw/zinc/47/34/30/933473430.db2.gz JQIOLXCYCXVQDA-UPJWGTAASA-N 2 1 374.554 3.642 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000610658745 933664644 /nfs/dbraw/zinc/66/46/44/933664644.db2.gz UQMYKOPMLQLFOP-AUBMYDRESA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000610658745 933664649 /nfs/dbraw/zinc/66/46/49/933664649.db2.gz UQMYKOPMLQLFOP-AUBMYDRESA-N 2 1 356.535 3.567 20 0 FHADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000431042175 933738836 /nfs/dbraw/zinc/73/88/36/933738836.db2.gz DGRJQLYVDFLDAI-ILWGZMRPSA-N 2 1 371.569 3.666 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000548449885 933893481 /nfs/dbraw/zinc/89/34/81/933893481.db2.gz QITAXPYUXQDHLI-ROUUACIJSA-N 2 1 359.558 3.701 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000548449484 933895405 /nfs/dbraw/zinc/89/54/05/933895405.db2.gz JMENDGFONIYMKI-MSOLQXFVSA-N 2 1 359.558 3.844 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960857 934228255 /nfs/dbraw/zinc/22/82/55/934228255.db2.gz KSCCOCAEHPGKLK-KDOFPFPSSA-N 2 1 367.331 3.527 20 0 FHADMP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510987587 934462555 /nfs/dbraw/zinc/46/25/55/934462555.db2.gz SRDNWYMFEOAIJH-NYVOZVTQSA-N 2 1 350.506 3.880 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000510990211 934549245 /nfs/dbraw/zinc/54/92/45/934549245.db2.gz AILDEHQPQKHMNQ-GFCCVEGCSA-N 2 1 354.267 3.704 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000510997492 934838319 /nfs/dbraw/zinc/83/83/19/934838319.db2.gz UUTZXDANMWIKEY-MRXNPFEDSA-N 2 1 357.502 3.806 20 0 FHADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510999783 934842330 /nfs/dbraw/zinc/84/23/30/934842330.db2.gz NZQDWSGOWHNFPZ-AZUAARDMSA-N 2 1 359.558 3.524 20 0 FHADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510999783 934842333 /nfs/dbraw/zinc/84/23/33/934842333.db2.gz NZQDWSGOWHNFPZ-AZUAARDMSA-N 2 1 359.558 3.524 20 0 FHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000439909350 945072187 /nfs/dbraw/zinc/07/21/87/945072187.db2.gz FNOPMGMFXJZGLK-CTNGQTDRSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909350 945072196 /nfs/dbraw/zinc/07/21/96/945072196.db2.gz FNOPMGMFXJZGLK-CTNGQTDRSA-N 2 1 372.557 3.703 20 0 FHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000439909350 945072203 /nfs/dbraw/zinc/07/22/03/945072203.db2.gz FNOPMGMFXJZGLK-CTNGQTDRSA-N 2 1 372.557 3.703 20 0 FHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472109956 935052972 /nfs/dbraw/zinc/05/29/72/935052972.db2.gz FXADVXDDOAXTDH-CTNGQTDRSA-N 2 1 374.573 3.585 20 0 FHADMP COCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000511055108 935124269 /nfs/dbraw/zinc/12/42/69/935124269.db2.gz VIIFGNIBRWQHPA-HXUWFJFHSA-N 2 1 350.522 3.873 20 0 FHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000582050936 935177176 /nfs/dbraw/zinc/17/71/76/935177176.db2.gz QVDJKTDFGIIZSF-BEFAXECRSA-N 2 1 370.522 3.556 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000582050971 935177456 /nfs/dbraw/zinc/17/74/56/935177456.db2.gz SOCCRGYWWJMISX-LPHOPBHVSA-N 2 1 372.538 3.672 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657332956 935247702 /nfs/dbraw/zinc/24/77/02/935247702.db2.gz VNKYMFREBNNLFT-QHCPKHFHSA-N 2 1 368.521 3.984 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947605 935309378 /nfs/dbraw/zinc/30/93/78/935309378.db2.gz FDVKYYJFNGQWFK-VJANTYMQSA-N 2 1 365.562 3.629 20 0 FHADMP Cc1ncsc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000657363992 935379402 /nfs/dbraw/zinc/37/94/02/935379402.db2.gz GVVJIXRSLCCOSX-SFHVURJKSA-N 2 1 371.550 3.709 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657374658 935453704 /nfs/dbraw/zinc/45/37/04/935453704.db2.gz PHLIDWBEIBGKJH-LRDDRELGSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657374658 935453708 /nfs/dbraw/zinc/45/37/08/935453708.db2.gz PHLIDWBEIBGKJH-LRDDRELGSA-N 2 1 372.460 3.673 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000657374500 935455660 /nfs/dbraw/zinc/45/56/60/935455660.db2.gz MIFLPLDZNCFERU-UHFFFAOYSA-N 2 1 364.493 3.812 20 0 FHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716830 935464606 /nfs/dbraw/zinc/46/46/06/935464606.db2.gz NHWPOVKJGJKQSF-UHFFFAOYSA-N 2 1 359.558 3.751 20 0 FHADMP Cc1cc(F)ccc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000509567538 945120038 /nfs/dbraw/zinc/12/00/38/945120038.db2.gz DWHNBIHTCPLWSE-QFIPXVFZSA-N 2 1 355.501 3.603 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C1 ZINC000161289215 935760915 /nfs/dbraw/zinc/76/09/15/935760915.db2.gz DDXSCBVLQXXMAV-SFHVURJKSA-N 2 1 358.526 3.694 20 0 FHADMP COc1cc(CCC2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc(OC)c1 ZINC000582494830 935777486 /nfs/dbraw/zinc/77/74/86/935777486.db2.gz LAFMKAAKBHLJKR-UHFFFAOYSA-N 2 1 371.525 3.715 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000159240294 935819464 /nfs/dbraw/zinc/81/94/64/935819464.db2.gz RHMNWVSGWRMOPP-MRXNPFEDSA-N 2 1 369.484 3.752 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586399 935849239 /nfs/dbraw/zinc/84/92/39/935849239.db2.gz MINCXZMSQLQKRO-NOCIGQNYSA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586399 935849241 /nfs/dbraw/zinc/84/92/41/935849241.db2.gz MINCXZMSQLQKRO-NOCIGQNYSA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586399 935849244 /nfs/dbraw/zinc/84/92/44/935849244.db2.gz MINCXZMSQLQKRO-NOCIGQNYSA-N 2 1 370.459 3.973 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000582661040 935918641 /nfs/dbraw/zinc/91/86/41/935918641.db2.gz WHEVYVGISWTXMG-MRXNPFEDSA-N 2 1 351.922 3.770 20 0 FHADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000075835732 936020383 /nfs/dbraw/zinc/02/03/83/936020383.db2.gz UDBAMKBRTCQCLW-QGZVFWFLSA-N 2 1 356.466 3.527 20 0 FHADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2o1 ZINC000075835732 936020386 /nfs/dbraw/zinc/02/03/86/936020386.db2.gz UDBAMKBRTCQCLW-QGZVFWFLSA-N 2 1 356.466 3.527 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000414960664 945140666 /nfs/dbraw/zinc/14/06/66/945140666.db2.gz YFOHAGHDDLVDBJ-VQIMIIECSA-N 2 1 370.493 3.513 20 0 FHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237472225 936068793 /nfs/dbraw/zinc/06/87/93/936068793.db2.gz JAIIHJNQTVGAGI-VAMGGRTRSA-N 2 1 371.569 3.561 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597230 936073112 /nfs/dbraw/zinc/07/31/12/936073112.db2.gz RBEFFKREFSPOPK-WOJBJXKFSA-N 2 1 370.924 3.554 20 0 FHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596233 936076636 /nfs/dbraw/zinc/07/66/36/936076636.db2.gz MPWLQCDJIDHQBM-KKSFZXQISA-N 2 1 358.913 3.627 20 0 FHADMP CC(C)Sc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000511195535 936100098 /nfs/dbraw/zinc/10/00/98/936100098.db2.gz DDEWFZWFCJXDHJ-GHTZIAJQSA-N 2 1 361.599 3.645 20 0 FHADMP CC(C)Sc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000511195535 936100102 /nfs/dbraw/zinc/10/01/02/936100102.db2.gz DDEWFZWFCJXDHJ-GHTZIAJQSA-N 2 1 361.599 3.645 20 0 FHADMP CC(C)Sc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000511195536 936100196 /nfs/dbraw/zinc/10/01/96/936100196.db2.gz DDEWFZWFCJXDHJ-NQIIRXRSSA-N 2 1 361.599 3.645 20 0 FHADMP CC(C)Sc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000511195536 936100199 /nfs/dbraw/zinc/10/01/99/936100199.db2.gz DDEWFZWFCJXDHJ-NQIIRXRSSA-N 2 1 361.599 3.645 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237519865 936104612 /nfs/dbraw/zinc/10/46/12/936104612.db2.gz LUJDVOPBJKYSKT-PGRDOPGGSA-N 2 1 365.521 3.767 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000120191489 936197366 /nfs/dbraw/zinc/19/73/66/936197366.db2.gz BCSBZWCLLUYJOD-UHFFFAOYSA-N 2 1 369.484 3.581 20 0 FHADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080338701 938249363 /nfs/dbraw/zinc/24/93/63/938249363.db2.gz WZSGQJBBOYHKSP-SIKLNZKXSA-N 2 1 368.521 3.855 20 0 FHADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080338701 938249365 /nfs/dbraw/zinc/24/93/65/938249365.db2.gz WZSGQJBBOYHKSP-SIKLNZKXSA-N 2 1 368.521 3.855 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000536021361 938250007 /nfs/dbraw/zinc/25/00/07/938250007.db2.gz GAJXAHUWBMFETD-SFHVURJKSA-N 2 1 357.498 3.583 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000536021361 938250008 /nfs/dbraw/zinc/25/00/08/938250008.db2.gz GAJXAHUWBMFETD-SFHVURJKSA-N 2 1 357.498 3.583 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000650707488 938289515 /nfs/dbraw/zinc/28/95/15/938289515.db2.gz HBZNIIBFTDLHPA-TUNNFDKTSA-N 2 1 369.484 3.606 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000650719032 938306949 /nfs/dbraw/zinc/30/69/49/938306949.db2.gz AVBHVQKASZVTLC-UHFFFAOYSA-N 2 1 362.399 3.601 20 0 FHADMP CCCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657772393 938308685 /nfs/dbraw/zinc/30/86/85/938308685.db2.gz MSGHKXXILAMCTM-NRFANRHFSA-N 2 1 352.526 3.685 20 0 FHADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000657773868 938318918 /nfs/dbraw/zinc/31/89/18/938318918.db2.gz UZQCQTBNWNDKBK-LJQANCHMSA-N 2 1 354.494 3.818 20 0 FHADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000657773868 938318919 /nfs/dbraw/zinc/31/89/19/938318919.db2.gz UZQCQTBNWNDKBK-LJQANCHMSA-N 2 1 354.494 3.818 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657778521 938337602 /nfs/dbraw/zinc/33/76/02/938337602.db2.gz QPEGMBAIMNILMP-KZNAEPCWSA-N 2 1 351.332 3.987 20 0 FHADMP OC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC(F)(F)CC1 ZINC000657778790 938348334 /nfs/dbraw/zinc/34/83/34/938348334.db2.gz VKXLGUPZPKIHPP-SFHVURJKSA-N 2 1 364.480 3.714 20 0 FHADMP OC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC(F)(F)CC1 ZINC000657778790 938348337 /nfs/dbraw/zinc/34/83/37/938348337.db2.gz VKXLGUPZPKIHPP-SFHVURJKSA-N 2 1 364.480 3.714 20 0 FHADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665590 938348926 /nfs/dbraw/zinc/34/89/26/938348926.db2.gz FGMVTQMSXLEIMI-FGZHOGPDSA-N 2 1 371.569 3.606 20 0 FHADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665591 938349361 /nfs/dbraw/zinc/34/93/61/938349361.db2.gz FGMVTQMSXLEIMI-VXKWHMMOSA-N 2 1 371.569 3.606 20 0 FHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000583761689 938394935 /nfs/dbraw/zinc/39/49/35/938394935.db2.gz ZHSQJXSRJNYFLZ-LJQANCHMSA-N 2 1 365.949 3.523 20 0 FHADMP Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cn2cc[nH+]c12 ZINC000583795887 938416368 /nfs/dbraw/zinc/41/63/68/938416368.db2.gz GHPLISGXSBSIHD-UHFFFAOYSA-N 2 1 363.465 3.560 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795505 938416805 /nfs/dbraw/zinc/41/68/05/938416805.db2.gz KCIXWXNUBPHRFE-WTIAFYNJSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795505 938416806 /nfs/dbraw/zinc/41/68/06/938416806.db2.gz KCIXWXNUBPHRFE-WTIAFYNJSA-N 2 1 364.533 3.938 20 0 FHADMP Cc1csc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000157917732 938453426 /nfs/dbraw/zinc/45/34/26/938453426.db2.gz KXADCTUDTRCZCF-MRXNPFEDSA-N 2 1 350.576 3.522 20 0 FHADMP CCCO[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158050083 938467746 /nfs/dbraw/zinc/46/77/46/938467746.db2.gz VQJJMXJQPSBUMB-SFTDATJTSA-N 2 1 354.579 3.939 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCN3Cc3ccccc3)CC2)cc1 ZINC000657806159 938480600 /nfs/dbraw/zinc/48/06/00/938480600.db2.gz HRDDMOXCQMWZBB-DEOSSOPVSA-N 2 1 363.549 3.558 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541682 945188732 /nfs/dbraw/zinc/18/87/32/945188732.db2.gz XNCPYKWMAKRBPF-HSZRJFAPSA-N 2 1 358.489 3.728 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000584108214 938600705 /nfs/dbraw/zinc/60/07/05/938600705.db2.gz RTOBDIZMVBOIHD-LPHOPBHVSA-N 2 1 372.538 3.720 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657831204 938619583 /nfs/dbraw/zinc/61/95/83/938619583.db2.gz ZCNDEZUHTJCBEE-MRXNPFEDSA-N 2 1 351.332 3.987 20 0 FHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000584289838 938672370 /nfs/dbraw/zinc/67/23/70/938672370.db2.gz LUVMRGSWTAOCLH-QUCCMNQESA-N 2 1 365.521 3.691 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000657838610 938676296 /nfs/dbraw/zinc/67/62/96/938676296.db2.gz WQALRCPGQMTVIO-CVDCTZTESA-N 2 1 374.569 3.982 20 0 FHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635476 938800538 /nfs/dbraw/zinc/80/05/38/938800538.db2.gz IAQZOBZOKOYVNX-NRFANRHFSA-N 2 1 365.521 3.824 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635476 938800543 /nfs/dbraw/zinc/80/05/43/938800543.db2.gz IAQZOBZOKOYVNX-NRFANRHFSA-N 2 1 365.521 3.824 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635476 938800547 /nfs/dbraw/zinc/80/05/47/938800547.db2.gz IAQZOBZOKOYVNX-NRFANRHFSA-N 2 1 365.521 3.824 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000081635476 938800554 /nfs/dbraw/zinc/80/05/54/938800554.db2.gz IAQZOBZOKOYVNX-NRFANRHFSA-N 2 1 365.521 3.824 20 0 FHADMP C[N@H+](CCN1CC[NH+](CCc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000518220593 945207188 /nfs/dbraw/zinc/20/71/88/945207188.db2.gz MUMSYPUANORHNK-UHFFFAOYSA-N 2 1 371.956 3.632 20 0 FHADMP C[N@@H+](CCN1CC[NH+](CCc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000518220593 945207197 /nfs/dbraw/zinc/20/71/97/945207197.db2.gz MUMSYPUANORHNK-UHFFFAOYSA-N 2 1 371.956 3.632 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000584426377 938860238 /nfs/dbraw/zinc/86/02/38/938860238.db2.gz NGJBTBTUPJZZMX-ZRBLBEILSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000584426377 938860239 /nfs/dbraw/zinc/86/02/39/938860239.db2.gz NGJBTBTUPJZZMX-ZRBLBEILSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000584426377 938860241 /nfs/dbraw/zinc/86/02/41/938860241.db2.gz NGJBTBTUPJZZMX-ZRBLBEILSA-N 3 1 367.537 3.874 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000089641522 938861974 /nfs/dbraw/zinc/86/19/74/938861974.db2.gz XMNQNCKAXXCUCR-IEBWSBKVSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000089641522 938861976 /nfs/dbraw/zinc/86/19/76/938861976.db2.gz XMNQNCKAXXCUCR-IEBWSBKVSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000090943716 938879283 /nfs/dbraw/zinc/87/92/83/938879283.db2.gz ZZAGTQHLJJJHOQ-HZMBPMFUSA-N 2 1 365.237 3.898 20 0 FHADMP O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090543758 938880059 /nfs/dbraw/zinc/88/00/59/938880059.db2.gz LTJFKGBOTGIETQ-KNQAVFIVSA-N 2 1 362.533 3.754 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091336536 938900194 /nfs/dbraw/zinc/90/01/94/938900194.db2.gz XBVNBKQCAUSGIP-MOPGFXCFSA-N 2 1 370.459 3.983 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093769482 938930114 /nfs/dbraw/zinc/93/01/14/938930114.db2.gz YLAZUVNYERHZBV-UHFFFAOYSA-N 2 1 365.587 3.981 20 0 FHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770109 938930147 /nfs/dbraw/zinc/93/01/47/938930147.db2.gz SESHQNDERYQJRN-IBGZPJMESA-N 2 1 374.960 3.975 20 0 FHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770109 938930148 /nfs/dbraw/zinc/93/01/48/938930148.db2.gz SESHQNDERYQJRN-IBGZPJMESA-N 2 1 374.960 3.975 20 0 FHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770109 938930150 /nfs/dbraw/zinc/93/01/50/938930150.db2.gz SESHQNDERYQJRN-IBGZPJMESA-N 2 1 374.960 3.975 20 0 FHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770109 938930152 /nfs/dbraw/zinc/93/01/52/938930152.db2.gz SESHQNDERYQJRN-IBGZPJMESA-N 2 1 374.960 3.975 20 0 FHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657882112 938969591 /nfs/dbraw/zinc/96/95/91/938969591.db2.gz IPLMPCUKATZPBY-KRWDZBQOSA-N 2 1 358.448 3.727 20 0 FHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431567729 938975606 /nfs/dbraw/zinc/97/56/06/938975606.db2.gz WWSHGMAWULDXSW-VQTJNVASSA-N 2 1 373.541 3.720 20 0 FHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567729 938975608 /nfs/dbraw/zinc/97/56/08/938975608.db2.gz WWSHGMAWULDXSW-VQTJNVASSA-N 2 1 373.541 3.720 20 0 FHADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442264 938986753 /nfs/dbraw/zinc/98/67/53/938986753.db2.gz NXPUTMNXXNEQQH-TZIWHRDSSA-N 2 1 360.542 3.677 20 0 FHADMP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000685456402 938987707 /nfs/dbraw/zinc/98/77/07/938987707.db2.gz AEVPJMFLEBVBEA-UHFFFAOYSA-N 2 1 354.494 3.745 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(OC)cc(OC)cc1OC ZINC000685456449 938987744 /nfs/dbraw/zinc/98/77/44/938987744.db2.gz RDDCRZINODTSFS-UHFFFAOYSA-N 2 1 372.509 3.796 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(OC)cc(OC)cc1OC ZINC000685456449 938987745 /nfs/dbraw/zinc/98/77/45/938987745.db2.gz RDDCRZINODTSFS-UHFFFAOYSA-N 2 1 372.509 3.796 20 0 FHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457605 938987890 /nfs/dbraw/zinc/98/78/90/938987890.db2.gz GLHMVDALBYESBZ-LJQANCHMSA-N 2 1 369.475 3.614 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572098 938992042 /nfs/dbraw/zinc/99/20/42/938992042.db2.gz CTKJLKDHBQNZQX-FUHWJXTLSA-N 2 1 368.912 3.845 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653815 939009074 /nfs/dbraw/zinc/00/90/74/939009074.db2.gz XECVKWPPFOZJNP-UWJYYQICSA-N 2 1 361.489 3.652 20 0 FHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657974572 939014970 /nfs/dbraw/zinc/01/49/70/939014970.db2.gz QSFKJCSKJAHFNF-NPPFBWRTSA-N 2 1 354.494 3.544 20 0 FHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657974572 939014971 /nfs/dbraw/zinc/01/49/71/939014971.db2.gz QSFKJCSKJAHFNF-NPPFBWRTSA-N 2 1 354.494 3.544 20 0 FHADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)cc(Br)c1 ZINC000657981981 939015534 /nfs/dbraw/zinc/01/55/34/939015534.db2.gz JVZUXKVFONXGNT-MRXNPFEDSA-N 2 1 354.267 3.851 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136418 939029870 /nfs/dbraw/zinc/02/98/70/939029870.db2.gz IIIIOQKLBXFGOG-GAJHUEQPSA-N 2 1 350.506 3.981 20 0 FHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CC2)cc1 ZINC000658134497 939030236 /nfs/dbraw/zinc/03/02/36/939030236.db2.gz AZYMLQARKQYJTG-XZOQPEGZSA-N 2 1 350.506 3.803 20 0 FHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658136512 939031042 /nfs/dbraw/zinc/03/10/42/939031042.db2.gz DHIHTAPXIFMGEA-UGKGYDQZSA-N 2 1 350.506 3.765 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658118341 939031371 /nfs/dbraw/zinc/03/13/71/939031371.db2.gz DUJZMUSPXGXTCU-HKUYNNGSSA-N 2 1 354.494 3.704 20 0 FHADMP COc1cccc(OC)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658118341 939031374 /nfs/dbraw/zinc/03/13/74/939031374.db2.gz DUJZMUSPXGXTCU-HKUYNNGSSA-N 2 1 354.494 3.704 20 0 FHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142903 939035447 /nfs/dbraw/zinc/03/54/47/939035447.db2.gz ZVAVSQBZTVQTEG-FHZYATBESA-N 2 1 350.506 3.666 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143178 939035854 /nfs/dbraw/zinc/03/58/54/939035854.db2.gz XHKHKROPPPOUCY-UNMCSNQZSA-N 2 1 354.494 3.503 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138010 939040597 /nfs/dbraw/zinc/04/05/97/939040597.db2.gz LSLSBGPWLLPOBD-KSSFIOAISA-N 2 1 362.876 3.897 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138849 939041194 /nfs/dbraw/zinc/04/11/94/939041194.db2.gz OOICFGUOBJSCFK-PZJWPPBQSA-N 2 1 356.897 3.684 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)[C@@H](C)C2 ZINC000658139382 939042843 /nfs/dbraw/zinc/04/28/43/939042843.db2.gz QDZBBALSNIRTIS-AMHTUMDSSA-N 2 1 350.506 3.585 20 0 FHADMP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658139510 939042901 /nfs/dbraw/zinc/04/29/01/939042901.db2.gz MHYLCLICLZYMRX-OXJNMPFZSA-N 2 1 356.535 3.826 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000658209782 939070409 /nfs/dbraw/zinc/07/04/09/939070409.db2.gz SEYNFKKFJQMRGW-YOEHRIQHSA-N 2 1 351.332 3.844 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236835 939078296 /nfs/dbraw/zinc/07/82/96/939078296.db2.gz XOGANSJHXCPFFA-FDTGPBLFSA-N 2 1 366.553 3.632 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000414900817 945227616 /nfs/dbraw/zinc/22/76/16/945227616.db2.gz FCTAZYNCYSATMR-QGZVFWFLSA-N 2 1 369.513 3.648 20 0 FHADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319252 939109880 /nfs/dbraw/zinc/10/98/80/939109880.db2.gz YJTYRMXZXPDTHH-XLIONFOSSA-N 2 1 350.510 3.738 20 0 FHADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000312932171 945266988 /nfs/dbraw/zinc/26/69/88/945266988.db2.gz ODFBRPCYFLSRGY-XMSQKQJNSA-N 2 1 374.475 3.890 20 0 FHADMP C[C@H](CC[NH2+]C1CCN(CCC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000507496402 945267563 /nfs/dbraw/zinc/26/75/63/945267563.db2.gz OPOMEPYKXCRZME-QGZVFWFLSA-N 2 1 371.491 3.903 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000507536271 945295244 /nfs/dbraw/zinc/29/52/44/945295244.db2.gz WLXJOJWILQQYKX-PSWRPDDJSA-N 2 1 356.554 3.675 20 0 FHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000376000420 940167721 /nfs/dbraw/zinc/16/77/21/940167721.db2.gz PBEQEOKOUPGJMZ-UHFFFAOYSA-N 2 1 352.482 3.577 20 0 FHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO[C@@H]1C1CC1 ZINC000570272287 940225551 /nfs/dbraw/zinc/22/55/51/940225551.db2.gz AFAJDCBEFGPQOE-XNBWIAOKSA-N 2 1 354.538 3.977 20 0 FHADMP CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000647497430 940379957 /nfs/dbraw/zinc/37/99/57/940379957.db2.gz HNQSISCSNDHIGZ-FXAWDEMLSA-N 2 1 352.526 3.784 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000647497430 940379960 /nfs/dbraw/zinc/37/99/60/940379960.db2.gz HNQSISCSNDHIGZ-FXAWDEMLSA-N 2 1 352.526 3.784 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c(C)n2n1 ZINC000376162186 940392397 /nfs/dbraw/zinc/39/23/97/940392397.db2.gz LNQOYLKWIXUTIZ-NBCNXNJRSA-N 2 1 363.509 3.690 20 0 FHADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376166980 940404696 /nfs/dbraw/zinc/40/46/96/940404696.db2.gz NVUGVFHDEKJXLC-LJQANCHMSA-N 2 1 374.573 3.731 20 0 FHADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376166979 940404712 /nfs/dbraw/zinc/40/47/12/940404712.db2.gz NVUGVFHDEKJXLC-IBGZPJMESA-N 2 1 374.573 3.731 20 0 FHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000531141752 940434071 /nfs/dbraw/zinc/43/40/71/940434071.db2.gz AGCNQSSZSADZPB-HNNXBMFYSA-N 2 1 374.481 3.582 20 0 FHADMP C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000472503096 940445538 /nfs/dbraw/zinc/44/55/38/940445538.db2.gz RVSDZFNBVAPBOF-DYQZNNLLSA-N 2 1 371.569 3.524 20 0 FHADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)o2)n[nH]1 ZINC000685850964 940467698 /nfs/dbraw/zinc/46/76/98/940467698.db2.gz XMENMOFBUDDFTF-RBUKOAKNSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)o2)n[nH]1 ZINC000685850964 940467699 /nfs/dbraw/zinc/46/76/99/940467699.db2.gz XMENMOFBUDDFTF-RBUKOAKNSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)n[nH]1 ZINC000685850964 940467701 /nfs/dbraw/zinc/46/77/01/940467701.db2.gz XMENMOFBUDDFTF-RBUKOAKNSA-N 2 1 362.477 3.624 20 0 FHADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)o2)n[nH]1 ZINC000685850964 940467703 /nfs/dbraw/zinc/46/77/03/940467703.db2.gz XMENMOFBUDDFTF-RBUKOAKNSA-N 2 1 362.477 3.624 20 0 FHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H]1C[C@H]1C ZINC000414062283 940470278 /nfs/dbraw/zinc/47/02/78/940470278.db2.gz BKMDWHJUCWPXAM-WTNAPCKOSA-N 2 1 360.542 3.700 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777271 940492682 /nfs/dbraw/zinc/49/26/82/940492682.db2.gz APZHCDIZHPXUSA-VQTJNVASSA-N 2 1 373.541 3.638 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000431777271 940492683 /nfs/dbraw/zinc/49/26/83/940492683.db2.gz APZHCDIZHPXUSA-VQTJNVASSA-N 2 1 373.541 3.638 20 0 FHADMP CC(C)Oc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000613256900 940496325 /nfs/dbraw/zinc/49/63/25/940496325.db2.gz FUBKJDPBBASZQD-FQEVSTJZSA-N 2 1 373.566 3.614 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431801966 940606338 /nfs/dbraw/zinc/60/63/38/940606338.db2.gz QTLVGRAGJSEZTI-CEMLEFRQSA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801966 940606341 /nfs/dbraw/zinc/60/63/41/940606341.db2.gz QTLVGRAGJSEZTI-CEMLEFRQSA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801966 940606344 /nfs/dbraw/zinc/60/63/44/940606344.db2.gz QTLVGRAGJSEZTI-CEMLEFRQSA-N 2 1 371.569 3.762 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000519359137 945337064 /nfs/dbraw/zinc/33/70/64/945337064.db2.gz HJCVAZXIBLEUBU-OALUTQOASA-N 2 1 359.558 3.910 20 0 FHADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168371 940704087 /nfs/dbraw/zinc/70/40/87/940704087.db2.gz ACDZFIAOHMXSNY-ZBFHGGJFSA-N 2 1 361.921 3.612 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414178048 940717265 /nfs/dbraw/zinc/71/72/65/940717265.db2.gz KBILSPPXQHBPSO-ZWKOTPCHSA-N 2 1 360.546 3.943 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000613492397 940775455 /nfs/dbraw/zinc/77/54/55/940775455.db2.gz LQFZNKKBMHCKCN-LEWJYISDSA-N 2 1 363.590 3.612 20 0 FHADMP CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000174819826 940780151 /nfs/dbraw/zinc/78/01/51/940780151.db2.gz JDXMNETVMMGDRP-IBGZPJMESA-N 2 1 360.546 3.519 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892580482 940835698 /nfs/dbraw/zinc/83/56/98/940835698.db2.gz KSUMCANXOGILNX-KRWDZBQOSA-N 2 1 352.526 3.962 20 0 FHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660651947 945353919 /nfs/dbraw/zinc/35/39/19/945353919.db2.gz FIFBSSZZTWZJSM-HSZRJFAPSA-N 2 1 363.505 3.857 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660651947 945353929 /nfs/dbraw/zinc/35/39/29/945353929.db2.gz FIFBSSZZTWZJSM-HSZRJFAPSA-N 2 1 363.505 3.857 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660651947 945353938 /nfs/dbraw/zinc/35/39/38/945353938.db2.gz FIFBSSZZTWZJSM-HSZRJFAPSA-N 2 1 363.505 3.857 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660651947 945353949 /nfs/dbraw/zinc/35/39/49/945353949.db2.gz FIFBSSZZTWZJSM-HSZRJFAPSA-N 2 1 363.505 3.857 20 0 FHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000310874062 940963366 /nfs/dbraw/zinc/96/33/66/940963366.db2.gz GMENVLHQZRKDSZ-NQIIRXRSSA-N 2 1 358.913 3.875 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000187804248 941126617 /nfs/dbraw/zinc/12/66/17/941126617.db2.gz DOKZBMCIMNYTEA-QFIPXVFZSA-N 2 1 355.501 3.814 20 0 FHADMP Cc1noc(C)c1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000166164552 941220592 /nfs/dbraw/zinc/22/05/92/941220592.db2.gz URXCYZYYPVTJQV-UHFFFAOYSA-N 2 1 359.489 3.660 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178367982 941237681 /nfs/dbraw/zinc/23/76/81/941237681.db2.gz HZPFVYJGIUFMMB-VQIMIIECSA-N 2 1 369.475 3.656 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000178367982 941237684 /nfs/dbraw/zinc/23/76/84/941237684.db2.gz HZPFVYJGIUFMMB-VQIMIIECSA-N 2 1 369.475 3.656 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832543 941443536 /nfs/dbraw/zinc/44/35/36/941443536.db2.gz VWMSINIIVBCYTO-VPWXQRGCSA-N 2 1 367.522 3.672 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832543 941443537 /nfs/dbraw/zinc/44/35/37/941443537.db2.gz VWMSINIIVBCYTO-VPWXQRGCSA-N 2 1 367.522 3.672 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000518033609 941457101 /nfs/dbraw/zinc/45/71/01/941457101.db2.gz DFLKXHXFTAFQHV-CABCVRRESA-N 2 1 354.336 3.863 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000518033609 941457102 /nfs/dbraw/zinc/45/71/02/941457102.db2.gz DFLKXHXFTAFQHV-CABCVRRESA-N 2 1 354.336 3.863 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000189016399 941535380 /nfs/dbraw/zinc/53/53/80/941535380.db2.gz LKSPXDPWCPLNEA-SDVLMSEASA-N 2 1 355.570 3.672 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044850 941568504 /nfs/dbraw/zinc/56/85/04/941568504.db2.gz CAVHBJPPRWIEBG-LRDDRELGSA-N 2 1 357.420 3.530 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044848 941568603 /nfs/dbraw/zinc/56/86/03/941568603.db2.gz CAVHBJPPRWIEBG-BLLLJJGKSA-N 2 1 357.420 3.530 20 0 FHADMP CC1(c2ccccc2)CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000415059262 941570958 /nfs/dbraw/zinc/57/09/58/941570958.db2.gz UYZTWSBMUPIUPM-UHFFFAOYSA-N 2 1 355.570 3.693 20 0 FHADMP c1ccc([C@@H]2CCCC[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000415057666 941570985 /nfs/dbraw/zinc/57/09/85/941570985.db2.gz RZLAFDANUOAQBD-NHIVGREZSA-N 2 1 355.570 3.909 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000549169826 941572434 /nfs/dbraw/zinc/57/24/34/941572434.db2.gz CQYCHSYWNFSNRD-CQSZACIVSA-N 2 1 365.315 3.545 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056573 941576092 /nfs/dbraw/zinc/57/60/92/941576092.db2.gz SKNQGOMKDQCUDS-FPOVZHCZSA-N 2 1 350.510 3.814 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415056957 941576598 /nfs/dbraw/zinc/57/65/98/941576598.db2.gz RKGPCTZHMFOQBL-OPAMFIHVSA-N 2 1 354.494 3.788 20 0 FHADMP Cc1ccccc1-c1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415060667 941579315 /nfs/dbraw/zinc/57/93/15/941579315.db2.gz XGTSJIWMGCVREB-UHFFFAOYSA-N 2 1 363.549 3.968 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)C[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000415097323 941600542 /nfs/dbraw/zinc/60/05/42/941600542.db2.gz CUCYGYMGDOILSP-WMZOPIPTSA-N 2 1 355.482 3.893 20 0 FHADMP c1sc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1-c1ccccn1 ZINC000415104194 941606017 /nfs/dbraw/zinc/60/60/17/941606017.db2.gz KUXXKKKWDSSHKU-HKUYNNGSSA-N 2 1 364.518 3.831 20 0 FHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)C1 ZINC000415118936 941614609 /nfs/dbraw/zinc/61/46/09/941614609.db2.gz DTXSJKRXNRQRLO-RDJZCZTQSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000415124395 941619543 /nfs/dbraw/zinc/61/95/43/941619543.db2.gz MPNOTVMZVWXKJC-SJORKVTESA-N 2 1 360.395 3.563 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134860 941621884 /nfs/dbraw/zinc/62/18/84/941621884.db2.gz WHBPJZWFZRAFEH-QFBILLFUSA-N 2 1 372.484 3.830 20 0 FHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000415130114 941623516 /nfs/dbraw/zinc/62/35/16/941623516.db2.gz QKQZFTPZOSWTAH-IRXDYDNUSA-N 2 1 360.395 3.563 20 0 FHADMP CCCCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415131128 941624182 /nfs/dbraw/zinc/62/41/82/941624182.db2.gz SBWPAAWBFHDNJA-QGZVFWFLSA-N 2 1 367.497 3.663 20 0 FHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958685 941716354 /nfs/dbraw/zinc/71/63/54/941716354.db2.gz IZECRZQJFFOQPA-QFIPXVFZSA-N 3 1 355.570 3.895 20 0 FHADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958685 941716359 /nfs/dbraw/zinc/71/63/59/941716359.db2.gz IZECRZQJFFOQPA-QFIPXVFZSA-N 3 1 355.570 3.895 20 0 FHADMP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000729330071 941720321 /nfs/dbraw/zinc/72/03/21/941720321.db2.gz ICAZSSCAGLIUAL-RBBKRZOGSA-N 2 1 371.569 3.937 20 0 FHADMP CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000377551530 941805236 /nfs/dbraw/zinc/80/52/36/941805236.db2.gz YHYIFOAAIYYVNX-INIZCTEOSA-N 2 1 364.497 3.733 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)CC1 ZINC000093132653 941813505 /nfs/dbraw/zinc/81/35/05/941813505.db2.gz VPRBYQNFGITLTC-KRWDZBQOSA-N 2 1 373.541 3.766 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513329160 941855031 /nfs/dbraw/zinc/85/50/31/941855031.db2.gz BGPUARPWOJCIQN-OIBXWCBGSA-N 2 1 352.522 3.887 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513329160 941855034 /nfs/dbraw/zinc/85/50/34/941855034.db2.gz BGPUARPWOJCIQN-OIBXWCBGSA-N 2 1 352.522 3.887 20 0 FHADMP COc1nccc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)c1F ZINC000893018065 941891424 /nfs/dbraw/zinc/89/14/24/941891424.db2.gz CTAUAAPHYVHHAI-UHFFFAOYSA-N 2 1 369.440 3.744 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn2ccnc2s1 ZINC000893019907 941895175 /nfs/dbraw/zinc/89/51/75/941895175.db2.gz WTRRUDFFXKTSCJ-UHFFFAOYSA-N 2 1 366.490 3.911 20 0 FHADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)c2)c1 ZINC000513406693 941901311 /nfs/dbraw/zinc/90/13/11/941901311.db2.gz WEXVZEZKJMNUFR-OAQYLSRUSA-N 2 1 352.526 3.960 20 0 FHADMP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)c2)c1 ZINC000513406693 941901314 /nfs/dbraw/zinc/90/13/14/941901314.db2.gz WEXVZEZKJMNUFR-OAQYLSRUSA-N 2 1 352.526 3.960 20 0 FHADMP C[N@@H+](Cc1ccc(Br)o1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377688654 941903503 /nfs/dbraw/zinc/90/35/03/941903503.db2.gz CRJAROWSUMCIIY-UHFFFAOYSA-N 2 1 350.260 3.538 20 0 FHADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713494 941919427 /nfs/dbraw/zinc/91/94/27/941919427.db2.gz XXLGIBGDJCZXOA-GOSISDBHSA-N 2 1 350.466 3.925 20 0 FHADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000377720454 941934407 /nfs/dbraw/zinc/93/44/07/941934407.db2.gz NIMDGCQRBBQMFE-MRXNPFEDSA-N 2 1 358.461 3.639 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133210 941943504 /nfs/dbraw/zinc/94/35/04/941943504.db2.gz JWYIBQVNLDZGRF-HXUWFJFHSA-N 2 1 369.578 3.935 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)CC1 ZINC000093133408 941950207 /nfs/dbraw/zinc/95/02/07/941950207.db2.gz CDCMMGFTEVHXFD-LJQANCHMSA-N 2 1 373.541 3.766 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@H+]1Cc1ccccc1 ZINC000513502463 941974305 /nfs/dbraw/zinc/97/43/05/941974305.db2.gz ZYZYHUDIJWSVJN-IEBWSBKVSA-N 2 1 352.478 3.806 20 0 FHADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462874494 941997877 /nfs/dbraw/zinc/99/78/77/941997877.db2.gz CTWXPEZPMBKVQZ-CZIWCDLHSA-N 2 1 360.299 3.946 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3nccc4ccccc43)CC2)nc(C)[nH+]1 ZINC000377802845 942002540 /nfs/dbraw/zinc/00/25/40/942002540.db2.gz OKFVGDBRCYKFQI-MRXNPFEDSA-N 2 1 361.493 3.961 20 0 FHADMP Cc1ccc(-c2ccc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)o2)cc1 ZINC000513536366 942003248 /nfs/dbraw/zinc/00/32/48/942003248.db2.gz JDPAIWFJMNCRIU-GOSISDBHSA-N 2 1 356.510 3.780 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513545354 942005200 /nfs/dbraw/zinc/00/52/00/942005200.db2.gz PVBQHVWRMGQNQD-WIYYLYMNSA-N 2 1 366.505 3.848 20 0 FHADMP COc1cccc(-c2csc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)n2)c1 ZINC000893086837 942005788 /nfs/dbraw/zinc/00/57/88/942005788.db2.gz SEGWFOMEFBPXMX-ALOPSCKCSA-N 2 1 357.523 3.924 20 0 FHADMP COc1cccc(-c2csc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)n2)c1 ZINC000893086837 942005791 /nfs/dbraw/zinc/00/57/91/942005791.db2.gz SEGWFOMEFBPXMX-ALOPSCKCSA-N 2 1 357.523 3.924 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549342058 942011791 /nfs/dbraw/zinc/01/17/91/942011791.db2.gz PCKUQNRTKPWJDT-OALUTQOASA-N 2 1 364.896 3.798 20 0 FHADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000414132734 942031143 /nfs/dbraw/zinc/03/11/43/942031143.db2.gz ZVMAGRFPGZPFNE-MSOLQXFVSA-N 2 1 353.510 3.836 20 0 FHADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513661848 942071053 /nfs/dbraw/zinc/07/10/53/942071053.db2.gz RERAOVSYPHUGDG-PWRODBHTSA-N 2 1 371.569 3.572 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000415904272 942130849 /nfs/dbraw/zinc/13/08/49/942130849.db2.gz AHKWFLGJCZQUPE-UHFFFAOYSA-N 2 1 366.509 3.536 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000415913822 942136574 /nfs/dbraw/zinc/13/65/74/942136574.db2.gz RRYCNQPDGCZHNC-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000415914377 942137608 /nfs/dbraw/zinc/13/76/08/942137608.db2.gz ADXQOGPEEDHTJV-UHFFFAOYSA-N 2 1 358.530 3.526 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415912477 942146230 /nfs/dbraw/zinc/14/62/30/942146230.db2.gz LLMQBWWZSKLUCC-FXAWDEMLSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415935247 942162113 /nfs/dbraw/zinc/16/21/13/942162113.db2.gz RHOCVCJTHVESMH-UWJYYQICSA-N 2 1 366.509 3.753 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415935241 942162317 /nfs/dbraw/zinc/16/23/17/942162317.db2.gz RHOCVCJTHVESMH-UTKZUKDTSA-N 2 1 366.509 3.753 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000415929888 942165830 /nfs/dbraw/zinc/16/58/30/942165830.db2.gz YZOQQBAUFDYECN-QFIPXVFZSA-N 2 1 366.509 3.582 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000415936852 942168607 /nfs/dbraw/zinc/16/86/07/942168607.db2.gz XCMHEJJXDIMFHJ-IBGZPJMESA-N 2 1 358.530 3.715 20 0 FHADMP Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414469812 942185998 /nfs/dbraw/zinc/18/59/98/942185998.db2.gz NACZDFMONPLMKS-QFIPXVFZSA-N 2 1 364.537 3.908 20 0 FHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415983075 942222422 /nfs/dbraw/zinc/22/24/22/942222422.db2.gz YXCCBDBKUJYLJJ-LAUBAEHRSA-N 2 1 366.509 3.662 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415981002 942224935 /nfs/dbraw/zinc/22/49/35/942224935.db2.gz UJHPVKKDOGOJFT-QGZVFWFLSA-N 2 1 366.509 3.841 20 0 FHADMP C[C@H]1C[C@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000415981059 942224992 /nfs/dbraw/zinc/22/49/92/942224992.db2.gz UOTOMNUOWQZPBJ-PXNSSMCTSA-N 2 1 366.509 3.568 20 0 FHADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000415981090 942225266 /nfs/dbraw/zinc/22/52/66/942225266.db2.gz IHKOVJCZRMMVNI-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP Oc1ccc(C2=CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420901247 942244877 /nfs/dbraw/zinc/24/48/77/942244877.db2.gz KIMMDGOJZAGSBC-UHFFFAOYSA-N 2 1 364.489 3.514 20 0 FHADMP Oc1ccc(C2=CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420901247 942244879 /nfs/dbraw/zinc/24/48/79/942244879.db2.gz KIMMDGOJZAGSBC-UHFFFAOYSA-N 2 1 364.489 3.514 20 0 FHADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500985165 942246335 /nfs/dbraw/zinc/24/63/35/942246335.db2.gz QQEXRIQSAJHZNX-MRXNPFEDSA-N 2 1 371.491 3.767 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000420931713 942260884 /nfs/dbraw/zinc/26/08/84/942260884.db2.gz GVLJAHINBJLQEM-VGOFRKELSA-N 2 1 371.956 3.951 20 0 FHADMP C[N@H+](CC(=O)Nc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023831 942267231 /nfs/dbraw/zinc/26/72/31/942267231.db2.gz ACOYNUWMUKMKNQ-UHFFFAOYSA-N 2 1 372.900 3.522 20 0 FHADMP O[C@H]1C[C@@H](C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420973346 942285951 /nfs/dbraw/zinc/28/59/51/942285951.db2.gz NBDJHKCSJQUZJV-AKIFATBCSA-N 2 1 356.554 3.914 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134953 942380087 /nfs/dbraw/zinc/38/00/87/942380087.db2.gz QBFWOCRZPKSZPW-BVYCBKJFSA-N 2 1 365.521 3.631 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4cc(F)ccc34)cc2)C1 ZINC000664239934 942383267 /nfs/dbraw/zinc/38/32/67/942383267.db2.gz UDQXPJHXNRZFQG-GOSISDBHSA-N 2 1 351.425 3.553 20 0 FHADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000647909247 942462053 /nfs/dbraw/zinc/46/20/53/942462053.db2.gz YYOUDQKXXFTAMA-MRXNPFEDSA-N 2 1 354.947 3.702 20 0 FHADMP Cc1ccc([C@H](Cn2ccnc2)NCc2cn3ccnc3s2)c(C)c1 ZINC000893184324 942463096 /nfs/dbraw/zinc/46/30/96/942463096.db2.gz XADDUGCLFHEPFX-SFHVURJKSA-N 2 1 351.479 3.740 20 0 FHADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414833428 942495384 /nfs/dbraw/zinc/49/53/84/942495384.db2.gz FRAABBYVRZTMGQ-NSHDSACASA-N 2 1 351.235 3.514 20 0 FHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364295 942516373 /nfs/dbraw/zinc/51/63/73/942516373.db2.gz OCCRLRMHUXPVCA-PKTZIBPZSA-N 2 1 350.506 3.537 20 0 FHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421364295 942516380 /nfs/dbraw/zinc/51/63/80/942516380.db2.gz OCCRLRMHUXPVCA-PKTZIBPZSA-N 2 1 350.506 3.537 20 0 FHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000501519962 942522539 /nfs/dbraw/zinc/52/25/39/942522539.db2.gz WAORQJOQKACVCN-RTBURBONSA-N 2 1 374.573 3.591 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374098 942526089 /nfs/dbraw/zinc/52/60/89/942526089.db2.gz NKNHUGOLKUHTBC-RPWUZVMVSA-N 2 1 369.597 3.989 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)CCc3ccccc3)CC2)CC1 ZINC000421375915 942526993 /nfs/dbraw/zinc/52/69/93/942526993.db2.gz PIPMIDOGJXRJOT-OAQYLSRUSA-N 2 1 357.586 3.747 20 0 FHADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCCC[NH+]3CCN(CC)CC3)oc21 ZINC000181493048 942557292 /nfs/dbraw/zinc/55/72/92/942557292.db2.gz ZBTKXUMXUAEAHC-GOSISDBHSA-N 2 1 373.541 3.900 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@H]2CCCO2)c1 ZINC000513718167 942576777 /nfs/dbraw/zinc/57/67/77/942576777.db2.gz VZUKXCQREHOOGM-PLACYPQZSA-N 2 1 358.526 3.515 20 0 FHADMP CCc1csc([C@@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323069 942608893 /nfs/dbraw/zinc/60/88/93/942608893.db2.gz TVMHGLYSKMLBLT-SJORKVTESA-N 2 1 359.539 3.636 20 0 FHADMP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299283 942610304 /nfs/dbraw/zinc/61/03/04/942610304.db2.gz IQDRXFVJICJMRT-CZUORRHYSA-N 2 1 353.304 3.594 20 0 FHADMP Clc1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000420301768 942611283 /nfs/dbraw/zinc/61/12/83/942611283.db2.gz AYJDLHFVXSCNIQ-LJQANCHMSA-N 2 1 359.901 3.758 20 0 FHADMP Clc1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000420301768 942611285 /nfs/dbraw/zinc/61/12/85/942611285.db2.gz AYJDLHFVXSCNIQ-LJQANCHMSA-N 2 1 359.901 3.758 20 0 FHADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302293 942611345 /nfs/dbraw/zinc/61/13/45/942611345.db2.gz JNEKNXARHSDSAX-CYBMUJFWSA-N 2 1 358.313 3.644 20 0 FHADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311742 942614972 /nfs/dbraw/zinc/61/49/72/942614972.db2.gz RJWWBFKMRNGWBU-KFKAGJAMSA-N 2 1 356.901 3.665 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000420315685 942617998 /nfs/dbraw/zinc/61/79/98/942617998.db2.gz XFAUQHWIVKJJSI-GDBMZVCRSA-N 2 1 351.450 3.673 20 0 FHADMP Cc1ccccc1OCCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420314827 942618371 /nfs/dbraw/zinc/61/83/71/942618371.db2.gz QWKRHICFGBVZCR-NRFANRHFSA-N 2 1 353.510 3.803 20 0 FHADMP Cc1ccccc1OCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420314827 942618374 /nfs/dbraw/zinc/61/83/74/942618374.db2.gz QWKRHICFGBVZCR-NRFANRHFSA-N 2 1 353.510 3.803 20 0 FHADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)c1cc2ccccc2o1 ZINC000420316113 942618956 /nfs/dbraw/zinc/61/89/56/942618956.db2.gz MLMAESZIBQLHPG-UXPWSPDFSA-N 2 1 352.478 3.747 20 0 FHADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000420316116 942619152 /nfs/dbraw/zinc/61/91/52/942619152.db2.gz MLMAESZIBQLHPG-VDGAXYAQSA-N 2 1 352.478 3.747 20 0 FHADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320346 942620659 /nfs/dbraw/zinc/62/06/59/942620659.db2.gz BIZLDAOENQGXQP-UAGQMJEPSA-N 2 1 358.461 3.567 20 0 FHADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320344 942621391 /nfs/dbraw/zinc/62/13/91/942621391.db2.gz BIZLDAOENQGXQP-BHYGNILZSA-N 2 1 358.461 3.567 20 0 FHADMP Clc1cc(Cl)c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cn2c1 ZINC000420336558 942622009 /nfs/dbraw/zinc/62/20/09/942622009.db2.gz MGJXPHMCFUALDQ-INIZCTEOSA-N 2 1 353.297 3.605 20 0 FHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345666 942626726 /nfs/dbraw/zinc/62/67/26/942626726.db2.gz WHPYORIRGWLVTF-WOJBJXKFSA-N 2 1 363.505 3.614 20 0 FHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345659 942626763 /nfs/dbraw/zinc/62/67/63/942626763.db2.gz WHPYORIRGWLVTF-PMACEKPBSA-N 2 1 363.505 3.614 20 0 FHADMP CC(C)c1ccc([C@@H](NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)C(C)C)cc1 ZINC000420358754 942636643 /nfs/dbraw/zinc/63/66/43/942636643.db2.gz JDBGCHIRMOAHTA-FPOVZHCZSA-N 2 1 359.558 3.601 20 0 FHADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365395 942640638 /nfs/dbraw/zinc/64/06/38/942640638.db2.gz SAKQIQXBJJJHOY-MAUKXSAKSA-N 2 1 359.539 3.766 20 0 FHADMP c1ccc(C(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000420366652 942641601 /nfs/dbraw/zinc/64/16/01/942641601.db2.gz JLTUZFPRJYHNJK-QHCPKHFHSA-N 2 1 350.506 3.868 20 0 FHADMP c1ccc(C(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000420366652 942641607 /nfs/dbraw/zinc/64/16/07/942641607.db2.gz JLTUZFPRJYHNJK-QHCPKHFHSA-N 2 1 350.506 3.868 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420371981 942644325 /nfs/dbraw/zinc/64/43/25/942644325.db2.gz DXUQHWQHFGEURP-AOIWGVFYSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420371981 942644328 /nfs/dbraw/zinc/64/43/28/942644328.db2.gz DXUQHWQHFGEURP-AOIWGVFYSA-N 2 1 351.494 3.597 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420386525 942649639 /nfs/dbraw/zinc/64/96/39/942649639.db2.gz GABGFXHRWMQVEH-UNMCSNQZSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420386525 942649643 /nfs/dbraw/zinc/64/96/43/942649643.db2.gz GABGFXHRWMQVEH-UNMCSNQZSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405572 942662895 /nfs/dbraw/zinc/66/28/95/942662895.db2.gz TYOAIQHPKYIMKS-IRLDBZIGSA-N 2 1 363.505 3.903 20 0 FHADMP COc1cc(CCC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000502706442 942672242 /nfs/dbraw/zinc/67/22/42/942672242.db2.gz QPTSODYPBFEFKD-HXUWFJFHSA-N 2 1 360.542 3.833 20 0 FHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000182376590 942726557 /nfs/dbraw/zinc/72/65/57/942726557.db2.gz CGGFZPPAMJULNY-MSOLQXFVSA-N 3 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000182376590 942726559 /nfs/dbraw/zinc/72/65/59/942726559.db2.gz CGGFZPPAMJULNY-MSOLQXFVSA-N 2 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000182376590 942726562 /nfs/dbraw/zinc/72/65/62/942726562.db2.gz CGGFZPPAMJULNY-MSOLQXFVSA-N 2 1 359.558 3.672 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414541234 942728353 /nfs/dbraw/zinc/72/83/53/942728353.db2.gz CFVSRGDPJHEYIV-QFIPXVFZSA-N 2 1 374.488 3.929 20 0 FHADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000514094241 942744298 /nfs/dbraw/zinc/74/42/98/942744298.db2.gz MQXLHMUIZCOQRK-OWCLPIDISA-N 2 1 352.544 3.943 20 0 FHADMP CC[NH+](CC)CCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000514123791 942770017 /nfs/dbraw/zinc/77/00/17/942770017.db2.gz XQSNKGSLFYIELE-UHFFFAOYSA-N 2 1 372.384 3.885 20 0 FHADMP Cc1cc(C(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000434590293 942773685 /nfs/dbraw/zinc/77/36/85/942773685.db2.gz ZYWZCYNXNQCMHF-GOSISDBHSA-N 2 1 371.525 3.591 20 0 FHADMP CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000514143015 942778674 /nfs/dbraw/zinc/77/86/74/942778674.db2.gz ZJWJNLMQGZINMZ-KRWDZBQOSA-N 2 1 372.340 3.588 20 0 FHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000544227202 942781591 /nfs/dbraw/zinc/78/15/91/942781591.db2.gz DHLPGFIOTKKSEJ-LJQANCHMSA-N 2 1 367.537 3.779 20 0 FHADMP CC[C@@H](C)[NH+](C)CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000544227202 942781594 /nfs/dbraw/zinc/78/15/94/942781594.db2.gz DHLPGFIOTKKSEJ-LJQANCHMSA-N 2 1 367.537 3.779 20 0 FHADMP CC[C@@H](C)[NH+](C)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000544227202 942781597 /nfs/dbraw/zinc/78/15/97/942781597.db2.gz DHLPGFIOTKKSEJ-LJQANCHMSA-N 2 1 367.537 3.779 20 0 FHADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000414549492 942794402 /nfs/dbraw/zinc/79/44/02/942794402.db2.gz ASZPRISNMJZOQU-WMZOPIPTSA-N 2 1 371.550 3.812 20 0 FHADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000414549492 942794406 /nfs/dbraw/zinc/79/44/06/942794406.db2.gz ASZPRISNMJZOQU-WMZOPIPTSA-N 2 1 371.550 3.812 20 0 FHADMP C[N@@H+](CCCNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1)C1CCCCC1 ZINC000425147843 942874328 /nfs/dbraw/zinc/87/43/28/942874328.db2.gz RTLXZROYYWFPLX-FQEVSTJZSA-N 2 1 368.525 3.703 20 0 FHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000502960370 942877368 /nfs/dbraw/zinc/87/73/68/942877368.db2.gz NVSKEYHKQAPBPM-QYZOEREBSA-N 2 1 374.573 3.678 20 0 FHADMP C[C@@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414559185 942882729 /nfs/dbraw/zinc/88/27/29/942882729.db2.gz PHGVHSRUHBDCQT-RKWZGBHDSA-N 2 1 368.565 3.674 20 0 FHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115950 942928705 /nfs/dbraw/zinc/92/87/05/942928705.db2.gz HDKLWEYTKJVOAH-KCZVDYSFSA-N 2 1 357.586 3.807 20 0 FHADMP C[C@@H]1C[C@H]1[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115950 942928711 /nfs/dbraw/zinc/92/87/11/942928711.db2.gz HDKLWEYTKJVOAH-KCZVDYSFSA-N 2 1 357.586 3.807 20 0 FHADMP C[C@@H]1C[C@H]1[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115950 942928716 /nfs/dbraw/zinc/92/87/16/942928716.db2.gz HDKLWEYTKJVOAH-KCZVDYSFSA-N 2 1 357.586 3.807 20 0 FHADMP CN1CC[C@@H](C[N@@H+](C)CCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC000434746440 942937633 /nfs/dbraw/zinc/93/76/33/942937633.db2.gz IZQBWEYRAASQKV-PXNSSMCTSA-N 2 1 359.901 3.739 20 0 FHADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514472 942955614 /nfs/dbraw/zinc/95/56/14/942955614.db2.gz WMGFPJFHXBUQQS-QGZVFWFLSA-N 2 1 370.447 3.726 20 0 FHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514472 942955621 /nfs/dbraw/zinc/95/56/21/942955621.db2.gz WMGFPJFHXBUQQS-QGZVFWFLSA-N 2 1 370.447 3.726 20 0 FHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514472 942955629 /nfs/dbraw/zinc/95/56/29/942955629.db2.gz WMGFPJFHXBUQQS-QGZVFWFLSA-N 2 1 370.447 3.726 20 0 FHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514472 942955635 /nfs/dbraw/zinc/95/56/35/942955635.db2.gz WMGFPJFHXBUQQS-QGZVFWFLSA-N 2 1 370.447 3.726 20 0 FHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856446 943002825 /nfs/dbraw/zinc/00/28/25/943002825.db2.gz ZDOUFWFRIYXZJS-BEFAXECRSA-N 2 1 365.949 3.574 20 0 FHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856899 943017217 /nfs/dbraw/zinc/01/72/17/943017217.db2.gz BIKBDJPQUPFRTF-OAHLLOKOSA-N 2 1 362.315 3.545 20 0 FHADMP C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000414858671 943052636 /nfs/dbraw/zinc/05/26/36/943052636.db2.gz SGUAXEATKNHDEP-IEBWSBKVSA-N 2 1 354.542 3.707 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414650695 943096216 /nfs/dbraw/zinc/09/62/16/943096216.db2.gz BFEUEVYBBUUJPO-PXNSSMCTSA-N 2 1 354.494 3.833 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000414650695 943096221 /nfs/dbraw/zinc/09/62/21/943096221.db2.gz BFEUEVYBBUUJPO-PXNSSMCTSA-N 2 1 354.494 3.833 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272381938 943146520 /nfs/dbraw/zinc/14/65/20/943146520.db2.gz BZCQXFGIUIVYBF-LAUBAEHRSA-N 2 1 351.494 3.645 20 0 FHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2C1 ZINC000514659167 943188239 /nfs/dbraw/zinc/18/82/39/943188239.db2.gz ONWNVHKGNDXKFM-GOSISDBHSA-N 2 1 373.566 3.568 20 0 FHADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2C1 ZINC000514659167 943188244 /nfs/dbraw/zinc/18/82/44/943188244.db2.gz ONWNVHKGNDXKFM-GOSISDBHSA-N 2 1 373.566 3.568 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674906 943199638 /nfs/dbraw/zinc/19/96/38/943199638.db2.gz SJPYTFYPDHVPQZ-BEVDRBHNSA-N 2 1 358.917 3.702 20 0 FHADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000363956244 943208363 /nfs/dbraw/zinc/20/83/63/943208363.db2.gz AJIULTHQNGJJNW-UHFFFAOYSA-N 2 1 367.522 3.516 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSc1cccc(Cl)c1 ZINC000660115997 943209325 /nfs/dbraw/zinc/20/93/25/943209325.db2.gz GCDDGQOIFPHHLS-BPQIPLTHSA-N 2 1 354.947 3.616 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000514687643 943216273 /nfs/dbraw/zinc/21/62/73/943216273.db2.gz UDQSCVDDHPUBHV-CHWSQXEVSA-N 2 1 368.294 3.950 20 0 FHADMP Cc1sc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1C(C)C ZINC000422704153 943239390 /nfs/dbraw/zinc/23/93/90/943239390.db2.gz JXSGSTLCRQKILB-UZLBHIALSA-N 2 1 357.523 3.920 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757796 943262702 /nfs/dbraw/zinc/26/27/02/943262702.db2.gz IYZXRTXOKMVNOL-WQCNXYOZSA-N 2 1 369.475 3.818 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1O ZINC000093006797 943270159 /nfs/dbraw/zinc/27/01/59/943270159.db2.gz IHFGUNYRVPKKQN-UHFFFAOYSA-N 2 1 354.494 3.745 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764318 943284816 /nfs/dbraw/zinc/28/48/16/943284816.db2.gz PWNHAOKXVUMNDT-DNUAJFIVSA-N 2 1 357.464 3.804 20 0 FHADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764318 943284818 /nfs/dbraw/zinc/28/48/18/943284818.db2.gz PWNHAOKXVUMNDT-DNUAJFIVSA-N 2 1 357.464 3.804 20 0 FHADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)ccc2NC1=O ZINC000422805443 943290021 /nfs/dbraw/zinc/29/00/21/943290021.db2.gz GVJZAJRYTLWDQE-GJGHSUIPSA-N 2 1 351.450 3.592 20 0 FHADMP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696288 943300328 /nfs/dbraw/zinc/30/03/28/943300328.db2.gz HDVXNAQLYKIQBC-RBUKOAKNSA-N 2 1 365.521 3.544 20 0 FHADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854213 943306383 /nfs/dbraw/zinc/30/63/83/943306383.db2.gz ZWBXPALGGWNVDZ-XPWALMASSA-N 2 1 355.570 3.594 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854213 943306390 /nfs/dbraw/zinc/30/63/90/943306390.db2.gz ZWBXPALGGWNVDZ-XPWALMASSA-N 3 1 355.570 3.594 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862615 943309229 /nfs/dbraw/zinc/30/92/29/943309229.db2.gz NTTQKZGJAUXNJZ-MSOLQXFVSA-N 3 1 366.553 3.931 20 0 FHADMP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422885459 943317566 /nfs/dbraw/zinc/31/75/66/943317566.db2.gz YRYKXJWUHYWHEW-GUYCJALGSA-N 2 1 357.325 3.772 20 0 FHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887560 943319048 /nfs/dbraw/zinc/31/90/48/943319048.db2.gz BGGJFWMLBSNJGX-VQTJNVASSA-N 2 1 355.457 3.828 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422873802 943322903 /nfs/dbraw/zinc/32/29/03/943322903.db2.gz BCLSOFLZZKXEAO-ROUUACIJSA-N 3 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422873802 943322909 /nfs/dbraw/zinc/32/29/09/943322909.db2.gz BCLSOFLZZKXEAO-ROUUACIJSA-N 2 1 366.553 3.931 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422873802 943322911 /nfs/dbraw/zinc/32/29/11/943322911.db2.gz BCLSOFLZZKXEAO-ROUUACIJSA-N 2 1 366.553 3.931 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1c[nH+]ccc1N ZINC000422904599 943326579 /nfs/dbraw/zinc/32/65/79/943326579.db2.gz HBCDWQBQGRNBSO-CZUORRHYSA-N 2 1 362.880 3.602 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCC[NH2+]C1CC1)C1CCCCC1 ZINC000414704201 943332881 /nfs/dbraw/zinc/33/28/81/943332881.db2.gz CXUJUURNFWWZDF-UHFFFAOYSA-N 2 1 358.530 3.715 20 0 FHADMP COc1ccc([C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422924414 943333275 /nfs/dbraw/zinc/33/32/75/943333275.db2.gz YFQCAJKSQHCVEV-RTWAWAEBSA-N 2 1 358.526 3.817 20 0 FHADMP Cc1cc(C(=O)C[NH+]2CCC(CC[NH3+])CC2)c(C)n1CCc1cccs1 ZINC000584638820 943341488 /nfs/dbraw/zinc/34/14/88/943341488.db2.gz QFDMDVLWFSZQTO-UHFFFAOYSA-N 2 1 373.566 3.653 20 0 FHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](C)C[NH2+]1 ZINC000414707452 943343521 /nfs/dbraw/zinc/34/35/21/943343521.db2.gz HYWGIIMEPVEKLH-IAGOWNOFSA-N 2 1 358.530 3.665 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000422999095 943360088 /nfs/dbraw/zinc/36/00/88/943360088.db2.gz DQTANMFHPFBIFO-HNAYVOBHSA-N 2 1 366.427 3.814 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000422999097 943360470 /nfs/dbraw/zinc/36/04/70/943360470.db2.gz DQTANMFHPFBIFO-KXBFYZLASA-N 2 1 366.427 3.814 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1c[nH+]ccc1N ZINC000423022240 943366877 /nfs/dbraw/zinc/36/68/77/943366877.db2.gz HFCRBPGLJNIPIO-BBEJJTJUSA-N 2 1 362.880 3.630 20 0 FHADMP CCC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)C1CC[NH2+]CC1 ZINC000435378076 943367484 /nfs/dbraw/zinc/36/74/84/943367484.db2.gz GZABUIOWTPEPNS-UHFFFAOYSA-N 2 1 359.539 3.995 20 0 FHADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022899 943369419 /nfs/dbraw/zinc/36/94/19/943369419.db2.gz IMYLTRKAPRGFRW-LLBUTXAOSA-N 2 1 353.913 3.592 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1 ZINC000435393106 943379837 /nfs/dbraw/zinc/37/98/37/943379837.db2.gz YYXVCJPGEZVXPY-LJQANCHMSA-N 2 1 360.505 3.889 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1 ZINC000435393106 943379844 /nfs/dbraw/zinc/37/98/44/943379844.db2.gz YYXVCJPGEZVXPY-LJQANCHMSA-N 2 1 360.505 3.889 20 0 FHADMP COc1ccc([C@@H](C)C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435394158 943380962 /nfs/dbraw/zinc/38/09/62/943380962.db2.gz MOCKYLLLRYTNKV-RXVVDRJESA-N 2 1 353.510 3.838 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])OC(C)C ZINC000423052030 943384446 /nfs/dbraw/zinc/38/44/46/943384446.db2.gz OWNNAIJKKDEIRR-WEYGHZABSA-N 2 1 356.510 3.709 20 0 FHADMP OCC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC(c2ccccc2)C1 ZINC000423085475 943388942 /nfs/dbraw/zinc/38/89/42/943388942.db2.gz JZLLRXSSYQVBAP-JSPDHQCPSA-N 2 1 350.506 3.626 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000505690513 943394586 /nfs/dbraw/zinc/39/45/86/943394586.db2.gz RWKNSROUTDJSHT-IBGZPJMESA-N 2 1 352.526 3.597 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000505690513 943394592 /nfs/dbraw/zinc/39/45/92/943394592.db2.gz RWKNSROUTDJSHT-IBGZPJMESA-N 2 1 352.526 3.597 20 0 FHADMP C[NH2+]CC1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000414718711 943395702 /nfs/dbraw/zinc/39/57/02/943395702.db2.gz WOPGPQYMQNOEGD-UHFFFAOYSA-N 2 1 372.557 3.914 20 0 FHADMP CCn1ccnc1C[N@@H+](C[C@H](C)Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433255 943396970 /nfs/dbraw/zinc/39/69/70/943396970.db2.gz MZONXZCELNCORC-TZIWHRDSSA-N 2 1 366.553 3.726 20 0 FHADMP C[C@@H](CCc1ccccc1)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420369 943400644 /nfs/dbraw/zinc/40/06/44/943400644.db2.gz BUNGCGSYCMFKOC-PZJWPPBQSA-N 2 1 366.553 3.633 20 0 FHADMP C[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423107693 943403518 /nfs/dbraw/zinc/40/35/18/943403518.db2.gz QANYTWARTQTUAV-KKXDTOCCSA-N 2 1 356.432 3.903 20 0 FHADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1O ZINC000435426196 943406733 /nfs/dbraw/zinc/40/67/33/943406733.db2.gz GUGHIXHEPRMZAM-IBGZPJMESA-N 2 1 358.507 3.607 20 0 FHADMP c1cc(C[N@@H+](Cc2ccc3c(c2)OCCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430054 943408726 /nfs/dbraw/zinc/40/87/26/943408726.db2.gz XREKIWANELTSJW-HXUWFJFHSA-N 2 1 370.518 3.664 20 0 FHADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000423143895 943419255 /nfs/dbraw/zinc/41/92/55/943419255.db2.gz FJZQEBIXXUZZLP-MHTWAQMVSA-N 2 1 361.599 3.912 20 0 FHADMP Clc1ccccc1C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H]1CCCO1 ZINC000423188263 943434911 /nfs/dbraw/zinc/43/49/11/943434911.db2.gz NIHFNWDNWFNOEP-LEWJYISDSA-N 2 1 373.928 3.595 20 0 FHADMP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893297122 943447858 /nfs/dbraw/zinc/44/78/58/943447858.db2.gz JQWJXOARBSMZKO-BVXMROAISA-N 2 1 367.331 3.740 20 0 FHADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)cc1Br ZINC000423240818 943456777 /nfs/dbraw/zinc/45/67/77/943456777.db2.gz XMFICJMAJMQHKL-DTWKUNHWSA-N 2 1 350.098 3.600 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423326931 943481385 /nfs/dbraw/zinc/48/13/85/943481385.db2.gz NDKGNPLCMYVOJF-GOSISDBHSA-N 2 1 354.498 3.772 20 0 FHADMP OC[C@@H]([C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720186 943482008 /nfs/dbraw/zinc/48/20/08/943482008.db2.gz WYZRFDOPESLLQJ-VSKRKVRLSA-N 2 1 354.538 3.570 20 0 FHADMP OC[C@@H]([C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720186 943482009 /nfs/dbraw/zinc/48/20/09/943482009.db2.gz WYZRFDOPESLLQJ-VSKRKVRLSA-N 2 1 354.538 3.570 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000584718723 943482069 /nfs/dbraw/zinc/48/20/69/943482069.db2.gz ZNFGLYICBBXVFM-KGVIQGDOSA-N 2 1 365.521 3.831 20 0 FHADMP OC[C@@H]([C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720187 943482130 /nfs/dbraw/zinc/48/21/30/943482130.db2.gz WYZRFDOPESLLQJ-YPAWHYETSA-N 2 1 354.538 3.570 20 0 FHADMP OC[C@@H]([C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1)C1CC1 ZINC000584720187 943482132 /nfs/dbraw/zinc/48/21/32/943482132.db2.gz WYZRFDOPESLLQJ-YPAWHYETSA-N 2 1 354.538 3.570 20 0 FHADMP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414736209 943485787 /nfs/dbraw/zinc/48/57/87/943485787.db2.gz MUHSBEHYAJCHTJ-CHWSQXEVSA-N 2 1 358.313 3.642 20 0 FHADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000423354645 943488269 /nfs/dbraw/zinc/48/82/69/943488269.db2.gz NTCYVMPDJSGPKD-DYESRHJHSA-N 2 1 359.558 3.687 20 0 FHADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423357417 943489963 /nfs/dbraw/zinc/48/99/63/943489963.db2.gz AKEKDBMXKPKMRY-MUXCANPHSA-N 2 1 354.510 3.922 20 0 FHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000469214860 943494875 /nfs/dbraw/zinc/49/48/75/943494875.db2.gz RPPRILLNPSTJDI-AYOQOUSVSA-N 2 1 367.940 3.936 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000469214860 943494879 /nfs/dbraw/zinc/49/48/79/943494879.db2.gz RPPRILLNPSTJDI-AYOQOUSVSA-N 2 1 367.940 3.936 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318410 943504504 /nfs/dbraw/zinc/50/45/04/943504504.db2.gz YVWXFXRHZWHZIC-BWUHRYBWSA-N 2 1 370.562 3.713 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318410 943504507 /nfs/dbraw/zinc/50/45/07/943504507.db2.gz YVWXFXRHZWHZIC-BWUHRYBWSA-N 2 1 370.562 3.713 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435624174 943526358 /nfs/dbraw/zinc/52/63/58/943526358.db2.gz WVNWPFJFGPLASW-IBGZPJMESA-N 2 1 351.494 3.756 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000423499015 943529604 /nfs/dbraw/zinc/52/96/04/943529604.db2.gz AAYPVLNGYNLICO-IUDNXUCKSA-N 2 1 356.341 3.860 20 0 FHADMP Clc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)cc1 ZINC000423501192 943530042 /nfs/dbraw/zinc/53/00/42/943530042.db2.gz AZQGKQNJRGSYHZ-CBNMVNINSA-N 2 1 361.961 3.987 20 0 FHADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1F ZINC000423507859 943531571 /nfs/dbraw/zinc/53/15/71/943531571.db2.gz JXPVWXURGNZWLZ-LBXVMSDZSA-N 2 1 367.940 3.982 20 0 FHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423532732 943540114 /nfs/dbraw/zinc/54/01/14/943540114.db2.gz RSUYMBTWJBOQFH-YAJHFMINSA-N 2 1 354.494 3.541 20 0 FHADMP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1F ZINC000423509032 943540692 /nfs/dbraw/zinc/54/06/92/943540692.db2.gz LDPQEFFFLCBBKK-JTTJXQCZSA-N 2 1 353.913 3.736 20 0 FHADMP Clc1cccc([C@H]2CC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)c1 ZINC000423517371 943543468 /nfs/dbraw/zinc/54/34/68/943543468.db2.gz YEFJMPOXCLRQCA-RCKXYERXSA-N 2 1 361.961 3.782 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423522228 943545402 /nfs/dbraw/zinc/54/54/02/943545402.db2.gz UFIBUZBWJKKYSE-MRLCAUJQSA-N 2 1 372.582 3.594 20 0 FHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423522639 943545443 /nfs/dbraw/zinc/54/54/43/943545443.db2.gz VBXQRVRLVBRAQU-ZLPCBKJTSA-N 2 1 365.949 3.606 20 0 FHADMP Cc1cc2cc([C@@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc2cc1C ZINC000423525769 943546423 /nfs/dbraw/zinc/54/64/23/943546423.db2.gz YOXZHFNRXQXZFF-QHGAOEGBSA-N 2 1 355.526 3.917 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000423526375 943547285 /nfs/dbraw/zinc/54/72/85/943547285.db2.gz ZFQZNHLBKIUBIV-RWBZWWBESA-N 2 1 361.917 3.953 20 0 FHADMP CC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423579905 943563126 /nfs/dbraw/zinc/56/31/26/943563126.db2.gz WVTKWCSSRHMHMF-NRFANRHFSA-N 2 1 373.491 3.999 20 0 FHADMP COc1cc(OC)cc(C2(F)CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000549472017 943631854 /nfs/dbraw/zinc/63/18/54/943631854.db2.gz OZCOZSAWGFKJDI-UHFFFAOYSA-N 2 1 364.505 3.840 20 0 FHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424143968 943749980 /nfs/dbraw/zinc/74/99/80/943749980.db2.gz KLJRPMHTXSVAKH-RTBURBONSA-N 2 1 360.546 3.687 20 0 FHADMP FC(F)(F)c1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905243 943806368 /nfs/dbraw/zinc/80/63/68/943806368.db2.gz NKRHFLMZGWPFCQ-GFCCVEGCSA-N 2 1 351.210 3.700 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424244609 943817406 /nfs/dbraw/zinc/81/74/06/943817406.db2.gz SUIGRHBPNZTCBF-SFHVURJKSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(CCc3ccccc3)n1)CC[NH2+]CC2 ZINC000424294439 943823235 /nfs/dbraw/zinc/82/32/35/943823235.db2.gz QJXKRIAEJVKWFI-KRWDZBQOSA-N 2 1 355.551 3.892 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781173 943830325 /nfs/dbraw/zinc/83/03/25/943830325.db2.gz MQRZVGJNUFLWHM-CVEARBPZSA-N 2 1 354.441 3.508 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781181 943831430 /nfs/dbraw/zinc/83/14/30/943831430.db2.gz MQRZVGJNUFLWHM-JKSUJKDBSA-N 2 1 354.441 3.508 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000414906065 943842209 /nfs/dbraw/zinc/84/22/09/943842209.db2.gz LYJOEMXGHSQUPE-GOSISDBHSA-N 2 1 369.513 3.564 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000515383921 943845095 /nfs/dbraw/zinc/84/50/95/943845095.db2.gz YQKXWFHALKUBCC-BGYRXZFFSA-N 2 1 364.537 3.657 20 0 FHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3[C@H](C)C[N@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424301995 943851199 /nfs/dbraw/zinc/85/11/99/943851199.db2.gz LPADEJQRYWAJEW-KQVFKAFJSA-N 2 1 356.554 3.936 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784202 943866382 /nfs/dbraw/zinc/86/63/82/943866382.db2.gz QWWMIIQAICVBMO-IRXDYDNUSA-N 2 1 358.917 3.656 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1OCc1ccccn1)CC[NH2+]CC2 ZINC000424381984 943890122 /nfs/dbraw/zinc/89/01/22/943890122.db2.gz RRLLALVAEHGRNY-SFHVURJKSA-N 2 1 351.494 3.625 20 0 FHADMP CCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC(F)F ZINC000424385639 943892734 /nfs/dbraw/zinc/89/27/34/943892734.db2.gz WGPQXEIUOMOKJV-AWEZNQCLSA-N 2 1 354.441 3.651 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000516998541 943902100 /nfs/dbraw/zinc/90/21/00/943902100.db2.gz XGMBGOPXZPOJCC-MRXNPFEDSA-N 2 1 356.466 3.553 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)o1 ZINC000516998541 943902105 /nfs/dbraw/zinc/90/21/05/943902105.db2.gz XGMBGOPXZPOJCC-MRXNPFEDSA-N 2 1 356.466 3.553 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000424428171 943923971 /nfs/dbraw/zinc/92/39/71/943923971.db2.gz RUAQESOESZNLBG-RBUKOAKNSA-N 2 1 372.900 3.674 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000424428171 943923976 /nfs/dbraw/zinc/92/39/76/943923976.db2.gz RUAQESOESZNLBG-RBUKOAKNSA-N 2 1 372.900 3.674 20 0 FHADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000418037657 944087196 /nfs/dbraw/zinc/08/71/96/944087196.db2.gz RDRDMAAMVRBRJD-VABKMULXSA-N 2 1 350.506 3.671 20 0 FHADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000418037657 944087201 /nfs/dbraw/zinc/08/72/01/944087201.db2.gz RDRDMAAMVRBRJD-VABKMULXSA-N 2 1 350.506 3.671 20 0 FHADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1O ZINC000515697170 944138024 /nfs/dbraw/zinc/13/80/24/944138024.db2.gz CORUZJUWRICSTO-HUUCEWRRSA-N 2 1 354.922 3.902 20 0 FHADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1O ZINC000515697169 944138063 /nfs/dbraw/zinc/13/80/63/944138063.db2.gz CORUZJUWRICSTO-GJZGRUSLSA-N 2 1 354.922 3.902 20 0 FHADMP CCOc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)c1O ZINC000515697166 944138193 /nfs/dbraw/zinc/13/81/93/944138193.db2.gz CORUZJUWRICSTO-GASCZTMLSA-N 2 1 354.922 3.902 20 0 FHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)c1O ZINC000515697166 944138197 /nfs/dbraw/zinc/13/81/97/944138197.db2.gz CORUZJUWRICSTO-GASCZTMLSA-N 2 1 354.922 3.902 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000414914734 944150308 /nfs/dbraw/zinc/15/03/08/944150308.db2.gz YBPVGQWFUZXLSW-UHFFFAOYSA-N 2 1 357.502 3.503 20 0 FHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000437842455 944157517 /nfs/dbraw/zinc/15/75/17/944157517.db2.gz LGFLPVKBFLEDJG-QFIPXVFZSA-N 2 1 369.553 3.809 20 0 FHADMP C[C@H](C[NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000414881074 944166563 /nfs/dbraw/zinc/16/65/63/944166563.db2.gz QXQWYPGJQQDQPP-OAHLLOKOSA-N 2 1 362.315 3.717 20 0 FHADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc(Cl)c1 ZINC000518346353 944286867 /nfs/dbraw/zinc/28/68/67/944286867.db2.gz FPOLHACBKSUJJO-GOSISDBHSA-N 2 1 365.949 3.714 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNc2ccccn2)CC1 ZINC000518348953 944289755 /nfs/dbraw/zinc/28/97/55/944289755.db2.gz IPSNYQJIYIUNQE-UHFFFAOYSA-N 2 1 352.526 3.916 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475569 944293672 /nfs/dbraw/zinc/29/36/72/944293672.db2.gz XZNSFMYGKUOVDR-RTWAWAEBSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475569 944293685 /nfs/dbraw/zinc/29/36/85/944293685.db2.gz XZNSFMYGKUOVDR-RTWAWAEBSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000506475569 944293693 /nfs/dbraw/zinc/29/36/93/944293693.db2.gz XZNSFMYGKUOVDR-RTWAWAEBSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000506475569 944293706 /nfs/dbraw/zinc/29/37/06/944293706.db2.gz XZNSFMYGKUOVDR-RTWAWAEBSA-N 2 1 360.542 3.668 20 0 FHADMP c1cn(C2CC2)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000894601482 944296625 /nfs/dbraw/zinc/29/66/25/944296625.db2.gz UEVDNUJPYQQGKN-UHFFFAOYSA-N 2 1 350.510 3.706 20 0 FHADMP c1cn(C2CC2)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000894601482 944296630 /nfs/dbraw/zinc/29/66/30/944296630.db2.gz UEVDNUJPYQQGKN-UHFFFAOYSA-N 2 1 350.510 3.706 20 0 FHADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000111556654 944310980 /nfs/dbraw/zinc/31/09/80/944310980.db2.gz VOQLFWZXOMFIET-GOSISDBHSA-N 2 1 363.505 3.668 20 0 FHADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000111556654 944310988 /nfs/dbraw/zinc/31/09/88/944310988.db2.gz VOQLFWZXOMFIET-GOSISDBHSA-N 2 1 363.505 3.668 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000473736580 944313105 /nfs/dbraw/zinc/31/31/05/944313105.db2.gz BEZSNWOCRXWPNS-RXVVDRJESA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000473736580 944313115 /nfs/dbraw/zinc/31/31/15/944313115.db2.gz BEZSNWOCRXWPNS-RXVVDRJESA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000473736580 944313122 /nfs/dbraw/zinc/31/31/22/944313122.db2.gz BEZSNWOCRXWPNS-RXVVDRJESA-N 2 1 374.573 3.591 20 0 FHADMP CC(C)NC(=O)CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836572 944347221 /nfs/dbraw/zinc/34/72/21/944347221.db2.gz OSWUIFAQWBDCCN-QFIPXVFZSA-N 2 1 371.569 3.524 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001167752259 944354504 /nfs/dbraw/zinc/35/45/04/944354504.db2.gz SSAWGBDOLOJFQI-GOSISDBHSA-N 2 1 368.525 3.748 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000517530620 944377408 /nfs/dbraw/zinc/37/74/08/944377408.db2.gz UIFYTQRPRSZJGF-OAQYLSRUSA-N 2 1 363.590 3.661 20 0 FHADMP Cc1nnc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837572 944392544 /nfs/dbraw/zinc/39/25/44/944392544.db2.gz PGFUFAAQVXQTPD-UZLBHIALSA-N 2 1 367.541 3.797 20 0 FHADMP Cc1nnc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837572 944392553 /nfs/dbraw/zinc/39/25/53/944392553.db2.gz PGFUFAAQVXQTPD-UZLBHIALSA-N 2 1 367.541 3.797 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCCCOc3ccccc3)c2)CCO1 ZINC000438197236 944397546 /nfs/dbraw/zinc/39/75/46/944397546.db2.gz FBLNYPSBXNDEGM-HXUWFJFHSA-N 2 1 368.521 3.856 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCCCOc3ccccc3)c2)CCO1 ZINC000438197236 944397551 /nfs/dbraw/zinc/39/75/51/944397551.db2.gz FBLNYPSBXNDEGM-HXUWFJFHSA-N 2 1 368.521 3.856 20 0 FHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426295316 944398299 /nfs/dbraw/zinc/39/82/99/944398299.db2.gz TYCCCISHOPWZEB-LAUBAEHRSA-N 2 1 367.537 3.671 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000518461152 944401396 /nfs/dbraw/zinc/40/13/96/944401396.db2.gz YADHPTWNYRDJIN-IBGZPJMESA-N 2 1 372.557 3.711 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301100 944412992 /nfs/dbraw/zinc/41/29/92/944412992.db2.gz LLSRIXJEMMBNNH-FUHWJXTLSA-N 2 1 358.555 3.704 20 0 FHADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001167978132 944428095 /nfs/dbraw/zinc/42/80/95/944428095.db2.gz KJWRZKPVGHITMY-GFSYIJCISA-N 2 1 368.521 3.846 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000518515386 944458503 /nfs/dbraw/zinc/45/85/03/944458503.db2.gz YOZZNWPSIMIQMC-DENIHFKCSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000518515386 944458508 /nfs/dbraw/zinc/45/85/08/944458508.db2.gz YOZZNWPSIMIQMC-DENIHFKCSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000518515386 944458516 /nfs/dbraw/zinc/45/85/16/944458516.db2.gz YOZZNWPSIMIQMC-DENIHFKCSA-N 2 1 371.569 3.540 20 0 FHADMP COc1cccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cc(F)ccc2OC)c1 ZINC000516194060 944566359 /nfs/dbraw/zinc/56/63/59/944566359.db2.gz XCPHXQPTOJHLKM-LZJOCLMNSA-N 2 1 358.457 3.792 20 0 FHADMP Cc1cccc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000516195668 944567931 /nfs/dbraw/zinc/56/79/31/944567931.db2.gz GDEGFUICEKEPSA-QHCPKHFHSA-N 2 1 369.528 3.841 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219327 944582147 /nfs/dbraw/zinc/58/21/47/944582147.db2.gz ZZQGZPNPUOSFCE-AJSBUHFISA-N 2 1 374.569 3.591 20 0 FHADMP CC[C@H]1C[NH+](Cc2ccc(C[N@H+]3CCCO[C@@H](CC)C3)cc2)CCCO1 ZINC000439469976 944647980 /nfs/dbraw/zinc/64/79/80/944647980.db2.gz BMUVVQLQSACWLK-VXKWHMMOSA-N 2 1 360.542 3.688 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@H]3C(C)C)CC2)cs1 ZINC000925033100 944667887 /nfs/dbraw/zinc/66/78/87/944667887.db2.gz YUNJILUQBQFRBL-RBUKOAKNSA-N 2 1 365.587 3.568 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742505 944722748 /nfs/dbraw/zinc/72/27/48/944722748.db2.gz JJXYFBSGLBWNJK-SFHVURJKSA-N 2 1 367.493 3.816 20 0 FHADMP Cc1ccc(CCC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000544128234 944728956 /nfs/dbraw/zinc/72/89/56/944728956.db2.gz VGEHEVMQYQAVDX-NHCUHLMSSA-N 2 1 374.569 3.518 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000516397473 944794445 /nfs/dbraw/zinc/79/44/45/944794445.db2.gz BDGJLUNZNXXHNW-IBGZPJMESA-N 2 1 357.542 3.524 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681904 944914015 /nfs/dbraw/zinc/91/40/15/944914015.db2.gz QGLBZEUQJRMOAD-OTWHNJEPSA-N 2 1 371.569 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681904 944914027 /nfs/dbraw/zinc/91/40/27/944914027.db2.gz QGLBZEUQJRMOAD-OTWHNJEPSA-N 2 1 371.569 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681904 944914036 /nfs/dbraw/zinc/91/40/36/944914036.db2.gz QGLBZEUQJRMOAD-OTWHNJEPSA-N 2 1 371.569 3.767 20 0 FHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCc1ccccc1 ZINC000262066021 944932547 /nfs/dbraw/zinc/93/25/47/944932547.db2.gz RPPZTCMDERWZDG-UHFFFAOYSA-N 2 1 366.505 3.850 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414950368 945012780 /nfs/dbraw/zinc/01/27/80/945012780.db2.gz OODZBBIYXPOQDP-KBXCAEBGSA-N 2 1 357.885 3.822 20 0 FHADMP C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440276887 945369749 /nfs/dbraw/zinc/36/97/49/945369749.db2.gz ODUWOBPAKWEREP-SIKLNZKXSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276887 945369757 /nfs/dbraw/zinc/36/97/57/945369757.db2.gz ODUWOBPAKWEREP-SIKLNZKXSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276887 945369771 /nfs/dbraw/zinc/36/97/71/945369771.db2.gz ODUWOBPAKWEREP-SIKLNZKXSA-N 2 1 369.553 3.516 20 0 FHADMP COc1ccc(OCCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660674594 945378708 /nfs/dbraw/zinc/37/87/08/945378708.db2.gz SARMFCBESLSVAS-UHFFFAOYSA-N 2 1 354.494 3.718 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000660692691 945397881 /nfs/dbraw/zinc/39/78/81/945397881.db2.gz PUBYEVQAZIBIQI-UHFFFAOYSA-N 2 1 352.522 3.849 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)CCSc2ccccc2)CC1 ZINC000660696743 945401277 /nfs/dbraw/zinc/40/12/77/945401277.db2.gz OULSRVGLPVLGRI-GOSISDBHSA-N 2 1 350.572 3.630 20 0 FHADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000415044664 945512016 /nfs/dbraw/zinc/51/20/16/945512016.db2.gz AVDNGDJVAABZFA-KSCNFPHJSA-N 2 1 355.570 3.765 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000660835569 945526208 /nfs/dbraw/zinc/52/62/08/945526208.db2.gz VOOWAHAGTIDDJE-OAQYLSRUSA-N 2 1 355.570 3.599 20 0 FHADMP c1ccc(CC[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167969415 945690934 /nfs/dbraw/zinc/69/09/34/945690934.db2.gz BYYXHPDKENVZHE-CWAQXLGLSA-N 2 1 367.581 3.689 20 0 FHADMP FC(F)(F)Oc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000519715017 945691668 /nfs/dbraw/zinc/69/16/68/945691668.db2.gz UCQGSVHEFUTOEA-UHFFFAOYSA-N 2 1 367.209 3.533 20 0 FHADMP CCc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[NH+](C)C)cc1 ZINC000110919232 945783806 /nfs/dbraw/zinc/78/38/06/945783806.db2.gz XIPNFUACOXBLHG-VXKWHMMOSA-N 2 1 367.537 3.661 20 0 FHADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000281727522 945825111 /nfs/dbraw/zinc/82/51/11/945825111.db2.gz PPKUSOQQRLNRGV-YHBROIRLSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000281727522 945825123 /nfs/dbraw/zinc/82/51/23/945825123.db2.gz PPKUSOQQRLNRGV-YHBROIRLSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000281727522 945825137 /nfs/dbraw/zinc/82/51/37/945825137.db2.gz PPKUSOQQRLNRGV-YHBROIRLSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000281727525 945825164 /nfs/dbraw/zinc/82/51/64/945825164.db2.gz PPKUSOQQRLNRGV-YHDSQAASSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000281727525 945825178 /nfs/dbraw/zinc/82/51/78/945825178.db2.gz PPKUSOQQRLNRGV-YHDSQAASSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000281727525 945825192 /nfs/dbraw/zinc/82/51/92/945825192.db2.gz PPKUSOQQRLNRGV-YHDSQAASSA-N 2 1 360.542 3.685 20 0 FHADMP Cc1cc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C(C)C)n1 ZINC000301545321 945840104 /nfs/dbraw/zinc/84/01/04/945840104.db2.gz KYLBKUNISSZJQS-HDICACEKSA-N 2 1 360.546 3.624 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700505 945922963 /nfs/dbraw/zinc/92/29/63/945922963.db2.gz FLBHWXAFKCYAEN-LPHOPBHVSA-N 2 1 369.509 3.953 20 0 FHADMP C[C@@]12CC3([NH3+])CC([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)(C1)C[C@](C)(C3)C2 ZINC001167973883 945975567 /nfs/dbraw/zinc/97/55/67/945975567.db2.gz PWOGNCUJVNEEGP-SDFAFODESA-N 3 1 357.586 3.812 20 0 FHADMP C[C@@]12CC3([NH3+])CC(NC4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)(C1)C[C@](C)(C3)C2 ZINC001167973883 945975576 /nfs/dbraw/zinc/97/55/76/945975576.db2.gz PWOGNCUJVNEEGP-SDFAFODESA-N 2 1 357.586 3.812 20 0 FHADMP C[C@@]12CC3([NH3+])CC(NC4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)(C1)C[C@](C)(C3)C2 ZINC001167973883 945975585 /nfs/dbraw/zinc/97/55/85/945975585.db2.gz PWOGNCUJVNEEGP-SDFAFODESA-N 2 1 357.586 3.812 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522847558 945995905 /nfs/dbraw/zinc/99/59/05/945995905.db2.gz ZWERCIQNUADNNV-GOSISDBHSA-N 2 1 366.509 3.632 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000522860640 946009073 /nfs/dbraw/zinc/00/90/73/946009073.db2.gz JAKXTSIMXAIHSO-QFIPXVFZSA-N 2 1 371.569 3.942 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000522860640 946009081 /nfs/dbraw/zinc/00/90/81/946009081.db2.gz JAKXTSIMXAIHSO-QFIPXVFZSA-N 2 1 371.569 3.942 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000522860640 946009084 /nfs/dbraw/zinc/00/90/84/946009084.db2.gz JAKXTSIMXAIHSO-QFIPXVFZSA-N 2 1 371.569 3.942 20 0 FHADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000444173260 946020122 /nfs/dbraw/zinc/02/01/22/946020122.db2.gz UFIALAXIZXAHOS-IBGZPJMESA-N 2 1 353.510 3.975 20 0 FHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)CC[C@@H]1CCCC[N@@H+]1C ZINC000444173260 946020130 /nfs/dbraw/zinc/02/01/30/946020130.db2.gz UFIALAXIZXAHOS-IBGZPJMESA-N 2 1 353.510 3.975 20 0 FHADMP C[NH+](CCC(=O)Nc1cccc2ccccc21)CC[C@@H]1CCCC[N@H+]1C ZINC000444173260 946020139 /nfs/dbraw/zinc/02/01/39/946020139.db2.gz UFIALAXIZXAHOS-IBGZPJMESA-N 2 1 353.510 3.975 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCSC(F)(F)F)CC2)cc1 ZINC000178418441 946089237 /nfs/dbraw/zinc/08/92/37/946089237.db2.gz ISGXXNRHERWRJD-UHFFFAOYSA-N 2 1 350.425 3.675 20 0 FHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc3cc[nH]c32)[C@H](c2ccccc2)C1 ZINC000520206813 946268303 /nfs/dbraw/zinc/26/83/03/946268303.db2.gz PFEGDJFPRRKYDU-QFIPXVFZSA-N 2 1 362.521 3.636 20 0 FHADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000520290341 946366486 /nfs/dbraw/zinc/36/64/86/946366486.db2.gz GNPBNBJYXWXTJH-ICSRJNTNSA-N 2 1 357.542 3.641 20 0 FHADMP C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893487459 946424351 /nfs/dbraw/zinc/42/43/51/946424351.db2.gz JWVLENDEUWKSGJ-QWHCGFSZSA-N 2 1 361.477 3.991 20 0 FHADMP C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893487459 946424358 /nfs/dbraw/zinc/42/43/58/946424358.db2.gz JWVLENDEUWKSGJ-QWHCGFSZSA-N 2 1 361.477 3.991 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000652237721 946508347 /nfs/dbraw/zinc/50/83/47/946508347.db2.gz BCRRKBDIXBITFL-UFYCRDLUSA-N 2 1 355.457 3.975 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000652237721 946508350 /nfs/dbraw/zinc/50/83/50/946508350.db2.gz BCRRKBDIXBITFL-UFYCRDLUSA-N 2 1 355.457 3.975 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)C3)cc1 ZINC000652247371 946528652 /nfs/dbraw/zinc/52/86/52/946528652.db2.gz JISIDLCUTRGOLT-KAOXLYBCSA-N 2 1 354.538 3.977 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C ZINC000531381859 946539820 /nfs/dbraw/zinc/53/98/20/946539820.db2.gz OBZKPBHZMZNSCO-WIYYLYMNSA-N 2 1 353.510 3.965 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C ZINC000531381859 946539829 /nfs/dbraw/zinc/53/98/29/946539829.db2.gz OBZKPBHZMZNSCO-WIYYLYMNSA-N 2 1 353.510 3.965 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C ZINC000531381859 946539839 /nfs/dbraw/zinc/53/98/39/946539839.db2.gz OBZKPBHZMZNSCO-WIYYLYMNSA-N 2 1 353.510 3.965 20 0 FHADMP Clc1ccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000655719078 946557342 /nfs/dbraw/zinc/55/73/42/946557342.db2.gz PDPLPWFMZWDPRI-QGZVFWFLSA-N 2 1 357.325 3.769 20 0 FHADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410297 946564144 /nfs/dbraw/zinc/56/41/44/946564144.db2.gz LBGFVPSCOQJEAM-GCJKJVERSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441410297 946564149 /nfs/dbraw/zinc/56/41/49/946564149.db2.gz LBGFVPSCOQJEAM-GCJKJVERSA-N 2 1 358.526 3.803 20 0 FHADMP CCCOc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441410297 946564153 /nfs/dbraw/zinc/56/41/53/946564153.db2.gz LBGFVPSCOQJEAM-GCJKJVERSA-N 2 1 358.526 3.803 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059193 946660850 /nfs/dbraw/zinc/66/08/50/946660850.db2.gz SFFUSTSYHLRSQR-IRFCIJBXSA-N 2 1 371.569 3.665 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059193 946660854 /nfs/dbraw/zinc/66/08/54/946660854.db2.gz SFFUSTSYHLRSQR-IRFCIJBXSA-N 2 1 371.569 3.665 20 0 FHADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000475225875 946735352 /nfs/dbraw/zinc/73/53/52/946735352.db2.gz VLHLBQYDGVZYRD-CTNGQTDRSA-N 2 1 350.506 3.664 20 0 FHADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000661856009 946772450 /nfs/dbraw/zinc/77/24/50/946772450.db2.gz GLQISQRDTBFBML-ZRNYENFQSA-N 2 1 360.542 3.685 20 0 FHADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000550358143 946775186 /nfs/dbraw/zinc/77/51/86/946775186.db2.gz ZIMSAULFOOLRLH-VQTJNVASSA-N 2 1 359.558 3.656 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000119453047 946784559 /nfs/dbraw/zinc/78/45/59/946784559.db2.gz OCJUIOKLHPWDCR-GCJKJVERSA-N 2 1 365.521 3.625 20 0 FHADMP COc1cc(C)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000475272520 946807659 /nfs/dbraw/zinc/80/76/59/946807659.db2.gz YOXVXZLHGKQSLF-LJQANCHMSA-N 2 1 354.494 3.624 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000112918670 946816415 /nfs/dbraw/zinc/81/64/15/946816415.db2.gz FKCRQFDSYSIYAI-UHFFFAOYSA-N 2 1 371.569 3.867 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000579268475 946822629 /nfs/dbraw/zinc/82/26/29/946822629.db2.gz CEABSYJTSNMTFU-QHCPKHFHSA-N 2 1 366.553 3.774 20 0 FHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475283866 946822579 /nfs/dbraw/zinc/82/25/79/946822579.db2.gz XDCYLDVAKPHENP-LJQANCHMSA-N 2 1 364.468 3.623 20 0 FHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000475283866 946822593 /nfs/dbraw/zinc/82/25/93/946822593.db2.gz XDCYLDVAKPHENP-LJQANCHMSA-N 2 1 364.468 3.623 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000579268475 946822645 /nfs/dbraw/zinc/82/26/45/946822645.db2.gz CEABSYJTSNMTFU-QHCPKHFHSA-N 2 1 366.553 3.774 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000579268475 946822660 /nfs/dbraw/zinc/82/26/60/946822660.db2.gz CEABSYJTSNMTFU-QHCPKHFHSA-N 2 1 366.553 3.774 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000579268475 946822671 /nfs/dbraw/zinc/82/26/71/946822671.db2.gz CEABSYJTSNMTFU-QHCPKHFHSA-N 2 1 366.553 3.774 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179106762 946825442 /nfs/dbraw/zinc/82/54/42/946825442.db2.gz PBCKEZCIVDSZOI-KRWDZBQOSA-N 2 1 372.944 3.723 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(Cl)nc3)cc2)CC1 ZINC000179106748 946826021 /nfs/dbraw/zinc/82/60/21/946826021.db2.gz KXJYANVMOFRLOS-QGZVFWFLSA-N 2 1 372.944 3.723 20 0 FHADMP CCOCC[NH+](CCOCC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061471 946885049 /nfs/dbraw/zinc/88/50/49/946885049.db2.gz INLHGGWVAYXIDT-PMACEKPBSA-N 2 1 362.558 3.803 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000444454600 946885391 /nfs/dbraw/zinc/88/53/91/946885391.db2.gz OZDBCMUJSIRWJS-UTKZUKDTSA-N 2 1 368.525 3.868 20 0 FHADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475327117 946887608 /nfs/dbraw/zinc/88/76/08/946887608.db2.gz APNIXCKFKURFQQ-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475327117 946887617 /nfs/dbraw/zinc/88/76/17/946887617.db2.gz APNIXCKFKURFQQ-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475327117 946887623 /nfs/dbraw/zinc/88/76/23/946887623.db2.gz APNIXCKFKURFQQ-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475327117 946887631 /nfs/dbraw/zinc/88/76/31/946887631.db2.gz APNIXCKFKURFQQ-ZRZAMGCNSA-N 2 1 372.516 3.949 20 0 FHADMP COc1ccccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994715 946889830 /nfs/dbraw/zinc/88/98/30/946889830.db2.gz LXJPEKSAAHPVLN-YOFSQIOKSA-N 2 1 370.537 3.944 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000164681671 946996290 /nfs/dbraw/zinc/99/62/90/946996290.db2.gz GZAFRJGKPSGXKW-KRWDZBQOSA-N 2 1 367.497 3.576 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978837 947023241 /nfs/dbraw/zinc/02/32/41/947023241.db2.gz ZCYFWNWTTIOVGO-IAGOWNOFSA-N 2 1 374.916 3.644 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC(C)(C)C2)cc1)C1CC1 ZINC000444626687 947057632 /nfs/dbraw/zinc/05/76/32/947057632.db2.gz AVHYDLACEKLDBK-UHFFFAOYSA-N 2 1 357.542 3.523 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1)C1CC1 ZINC000444626687 947057644 /nfs/dbraw/zinc/05/76/44/947057644.db2.gz AVHYDLACEKLDBK-UHFFFAOYSA-N 2 1 357.542 3.523 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1)C1CC1 ZINC000444626687 947057655 /nfs/dbraw/zinc/05/76/55/947057655.db2.gz AVHYDLACEKLDBK-UHFFFAOYSA-N 2 1 357.542 3.523 20 0 FHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511941432 947067144 /nfs/dbraw/zinc/06/71/44/947067144.db2.gz IVFCUQGGLRYJCH-LBPRGKRZSA-N 2 1 357.445 3.944 20 0 FHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511941424 947067768 /nfs/dbraw/zinc/06/77/68/947067768.db2.gz IVFCUQGGLRYJCH-GFCCVEGCSA-N 2 1 357.445 3.944 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](CNC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929865 947108557 /nfs/dbraw/zinc/10/85/57/947108557.db2.gz NHKBFHBOFOSMBV-HSZRJFAPSA-N 2 1 363.549 3.763 20 0 FHADMP Brc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000523447952 947276715 /nfs/dbraw/zinc/27/67/15/947276715.db2.gz DAIWXMPNQIIXCK-KRWDZBQOSA-N 2 1 367.331 3.778 20 0 FHADMP Brc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000523447952 947276723 /nfs/dbraw/zinc/27/67/23/947276723.db2.gz DAIWXMPNQIIXCK-KRWDZBQOSA-N 2 1 367.331 3.778 20 0 FHADMP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000662163572 947393488 /nfs/dbraw/zinc/39/34/88/947393488.db2.gz RVNMRZSXASKNKJ-NRFANRHFSA-N 2 1 360.448 3.774 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000583469776 947402234 /nfs/dbraw/zinc/40/22/34/947402234.db2.gz DLMKFZUHARBFBK-GBAJDQEWSA-N 2 1 372.553 3.856 20 0 FHADMP CC1(C)C[N@@H+](CCOCC(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663218717 947447057 /nfs/dbraw/zinc/44/70/57/947447057.db2.gz WIORYVWDRBSUMF-FQEVSTJZSA-N 2 1 366.496 3.891 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189044590 947611955 /nfs/dbraw/zinc/61/19/55/947611955.db2.gz CAFJVQNJCCBHSR-GOSISDBHSA-N 2 1 358.505 3.672 20 0 FHADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662256641 947675276 /nfs/dbraw/zinc/67/52/76/947675276.db2.gz MOKORSSJZSTFFN-IBGZPJMESA-N 2 1 352.453 3.566 20 0 FHADMP c1ccc(C[N@H+](CCc2nsc3ccccc23)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000662263794 947682147 /nfs/dbraw/zinc/68/21/47/947682147.db2.gz NEMDILMKIOVYHR-GOSISDBHSA-N 2 1 366.534 3.878 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662296534 947722566 /nfs/dbraw/zinc/72/25/66/947722566.db2.gz LROIQQCIURPYOB-QGZVFWFLSA-N 2 1 374.916 3.644 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295796 947722686 /nfs/dbraw/zinc/72/26/86/947722686.db2.gz UMPUJROHPVGDMA-ICSRJNTNSA-N 2 1 357.542 3.650 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306299 947732674 /nfs/dbraw/zinc/73/26/74/947732674.db2.gz QDTNRGDHTKDJIJ-XLIONFOSSA-N 2 1 358.457 3.722 20 0 FHADMP Clc1ccc([C@@H]2c3ccsc3CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310414 947736622 /nfs/dbraw/zinc/73/66/22/947736622.db2.gz KBWHRHKHSUVLHX-QFBILLFUSA-N 2 1 374.937 3.870 20 0 FHADMP Clc1ccc([C@@H]2c3ccsc3CC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310414 947736627 /nfs/dbraw/zinc/73/66/27/947736627.db2.gz KBWHRHKHSUVLHX-QFBILLFUSA-N 2 1 374.937 3.870 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321756 947749490 /nfs/dbraw/zinc/74/94/90/947749490.db2.gz DAWPYLODMHIMJM-FQEVSTJZSA-N 2 1 372.557 3.558 20 0 FHADMP C[C@H](c1cccc(F)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327338 947759823 /nfs/dbraw/zinc/75/98/23/947759823.db2.gz NWAXXKDGGSYIRR-OAHLLOKOSA-N 2 1 356.489 3.956 20 0 FHADMP C[NH2+][C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000662375668 947772565 /nfs/dbraw/zinc/77/25/65/947772565.db2.gz RBKHWYUVSMIJGI-QGZVFWFLSA-N 2 1 366.292 3.954 20 0 FHADMP FC(F)(F)COc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346953 947814183 /nfs/dbraw/zinc/81/41/83/947814183.db2.gz YMRNNPQPFIYDTN-MRXNPFEDSA-N 2 1 356.432 3.839 20 0 FHADMP FC(F)(F)COc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346953 947814188 /nfs/dbraw/zinc/81/41/88/947814188.db2.gz YMRNNPQPFIYDTN-MRXNPFEDSA-N 2 1 356.432 3.839 20 0 FHADMP Fc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663347718 947819446 /nfs/dbraw/zinc/81/94/46/947819446.db2.gz TXHAKXWDSHZAAX-OAHLLOKOSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000663347718 947819453 /nfs/dbraw/zinc/81/94/53/947819453.db2.gz TXHAKXWDSHZAAX-OAHLLOKOSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663347718 947819458 /nfs/dbraw/zinc/81/94/58/947819458.db2.gz TXHAKXWDSHZAAX-OAHLLOKOSA-N 2 1 355.295 3.800 20 0 FHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347646 947820720 /nfs/dbraw/zinc/82/07/20/947820720.db2.gz REWJDVAGFGTFDA-QGZVFWFLSA-N 2 1 368.468 3.898 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000662487275 947857133 /nfs/dbraw/zinc/85/71/33/947857133.db2.gz JKVXJUJXFAJEOL-JTHBVZDNSA-N 2 1 371.569 3.512 20 0 FHADMP COc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000311916012 948029743 /nfs/dbraw/zinc/02/97/43/948029743.db2.gz IDLZNTLDXALHDD-QFIPXVFZSA-N 2 1 354.494 3.706 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466156 948051266 /nfs/dbraw/zinc/05/12/66/948051266.db2.gz ORJSBZIRQRZNBY-OFNKIYASSA-N 2 1 369.597 3.794 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466156 948051276 /nfs/dbraw/zinc/05/12/76/948051276.db2.gz ORJSBZIRQRZNBY-OFNKIYASSA-N 3 1 369.597 3.794 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466156 948051280 /nfs/dbraw/zinc/05/12/80/948051280.db2.gz ORJSBZIRQRZNBY-OFNKIYASSA-N 3 1 369.597 3.794 20 0 FHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663466971 948057138 /nfs/dbraw/zinc/05/71/38/948057138.db2.gz CIHBXWQEJZZYMD-IEBWSBKVSA-N 2 1 372.557 3.989 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467065 948057279 /nfs/dbraw/zinc/05/72/79/948057279.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467065 948057288 /nfs/dbraw/zinc/05/72/88/948057288.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467065 948057296 /nfs/dbraw/zinc/05/72/96/948057296.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467065 948057305 /nfs/dbraw/zinc/05/73/05/948057305.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467065 948057313 /nfs/dbraw/zinc/05/73/13/948057313.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467065 948057322 /nfs/dbraw/zinc/05/73/22/948057322.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467065 948057331 /nfs/dbraw/zinc/05/73/31/948057331.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467065 948057340 /nfs/dbraw/zinc/05/73/40/948057340.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467065 948057349 /nfs/dbraw/zinc/05/73/49/948057349.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 2 1 355.570 3.609 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778210 948076467 /nfs/dbraw/zinc/07/64/67/948076467.db2.gz SACAILLXKLIKKA-GXTWGEPZSA-N 2 1 352.347 3.871 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821589 948079846 /nfs/dbraw/zinc/07/98/46/948079846.db2.gz DWCPVVOIBQMVEK-JTHBVZDNSA-N 2 1 373.585 3.868 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780546 948092387 /nfs/dbraw/zinc/09/23/87/948092387.db2.gz FTQDMDKWIXCOJY-AAEUAGOBSA-N 2 1 350.425 3.939 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823889 948103031 /nfs/dbraw/zinc/10/30/31/948103031.db2.gz FTNMITVREVSBLO-NZQKXSOJSA-N 2 1 371.569 3.934 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823887 948103115 /nfs/dbraw/zinc/10/31/15/948103115.db2.gz FTNMITVREVSBLO-NFBKMPQASA-N 2 1 371.569 3.934 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001167824255 948106945 /nfs/dbraw/zinc/10/69/45/948106945.db2.gz GKDCVOFVVWGKDM-GBESFXJTSA-N 2 1 364.603 3.550 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@H+]2C[C@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826736 948136149 /nfs/dbraw/zinc/13/61/49/948136149.db2.gz QXEQXGBMKHCLQP-QNWVGRARSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN2C[C@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826736 948136152 /nfs/dbraw/zinc/13/61/52/948136152.db2.gz QXEQXGBMKHCLQP-QNWVGRARSA-N 2 1 373.585 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN2C[C@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826736 948136153 /nfs/dbraw/zinc/13/61/53/948136153.db2.gz QXEQXGBMKHCLQP-QNWVGRARSA-N 2 1 373.585 3.643 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000512023386 948212257 /nfs/dbraw/zinc/21/22/57/948212257.db2.gz FWIDVDXZQGBNJI-LJQANCHMSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1)C1CC1 ZINC000512023386 948212265 /nfs/dbraw/zinc/21/22/65/948212265.db2.gz FWIDVDXZQGBNJI-LJQANCHMSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1)C1CC1 ZINC000512023386 948212274 /nfs/dbraw/zinc/21/22/74/948212274.db2.gz FWIDVDXZQGBNJI-LJQANCHMSA-N 2 1 357.542 3.521 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000388821232 948227442 /nfs/dbraw/zinc/22/74/42/948227442.db2.gz WIAYCVROXNIUBR-IEBWSBKVSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000388821232 948227450 /nfs/dbraw/zinc/22/74/50/948227450.db2.gz WIAYCVROXNIUBR-IEBWSBKVSA-N 2 1 354.494 3.704 20 0 FHADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432368428 948240452 /nfs/dbraw/zinc/24/04/52/948240452.db2.gz PUKHPMSQMPXNOA-JKSUJKDBSA-N 2 1 369.347 3.643 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836803 948307628 /nfs/dbraw/zinc/30/76/28/948307628.db2.gz HLSAGJUFRNJZQF-QZTJIDSGSA-N 2 1 355.567 3.876 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166694850 948335648 /nfs/dbraw/zinc/33/56/48/948335648.db2.gz MKFNHFWRIZEUSZ-LEWJYISDSA-N 3 1 353.510 3.628 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166694850 948335658 /nfs/dbraw/zinc/33/56/58/948335658.db2.gz MKFNHFWRIZEUSZ-LEWJYISDSA-N 3 1 353.510 3.628 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166694850 948335667 /nfs/dbraw/zinc/33/56/67/948335667.db2.gz MKFNHFWRIZEUSZ-LEWJYISDSA-N 3 1 353.510 3.628 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1F ZINC000278957656 948336630 /nfs/dbraw/zinc/33/66/30/948336630.db2.gz MDTDTZAXCOVHGF-RYUDHWBXSA-N 2 1 352.251 3.698 20 0 FHADMP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166858237 948354790 /nfs/dbraw/zinc/35/47/90/948354790.db2.gz DQTZMILPRAFOHF-LEWJYISDSA-N 2 1 367.468 3.794 20 0 FHADMP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166858237 948354799 /nfs/dbraw/zinc/35/47/99/948354799.db2.gz DQTZMILPRAFOHF-LEWJYISDSA-N 2 1 367.468 3.794 20 0 FHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166850898 948355122 /nfs/dbraw/zinc/35/51/22/948355122.db2.gz JCQKMWRTTVWRIJ-MQSCRBSSSA-N 2 1 366.505 3.515 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410923 948356782 /nfs/dbraw/zinc/35/67/82/948356782.db2.gz SYEGPEIYXLVLEH-OALUTQOASA-N 2 1 353.510 3.900 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410923 948356790 /nfs/dbraw/zinc/35/67/90/948356790.db2.gz SYEGPEIYXLVLEH-OALUTQOASA-N 2 1 353.510 3.900 20 0 FHADMP CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413600 948361226 /nfs/dbraw/zinc/36/12/26/948361226.db2.gz NEVUSAWBAATCBH-WBVHZDCISA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413600 948361232 /nfs/dbraw/zinc/36/12/32/948361232.db2.gz NEVUSAWBAATCBH-WBVHZDCISA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413600 948361240 /nfs/dbraw/zinc/36/12/40/948361240.db2.gz NEVUSAWBAATCBH-WBVHZDCISA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413600 948361248 /nfs/dbraw/zinc/36/12/48/948361248.db2.gz NEVUSAWBAATCBH-WBVHZDCISA-N 2 1 356.457 3.830 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000278985748 948373556 /nfs/dbraw/zinc/37/35/56/948373556.db2.gz PKMVACLQWMMWEP-STQMWFEESA-N 2 1 364.287 3.567 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2)C1 ZINC001167842026 948373665 /nfs/dbraw/zinc/37/36/65/948373665.db2.gz VZYLLWJLPDPYBS-DBVUQKKJSA-N 2 1 364.505 3.525 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000278985741 948373743 /nfs/dbraw/zinc/37/37/43/948373743.db2.gz PKMVACLQWMMWEP-OLZOCXBDSA-N 2 1 364.287 3.567 20 0 FHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419201 948374197 /nfs/dbraw/zinc/37/41/97/948374197.db2.gz ZWEPRAYLXHUVBH-APWZRJJASA-N 2 1 364.555 3.713 20 0 FHADMP Cc1cc(N2CCC([NH2+]Cc3ncc(C(C)(C)C)s3)CC2)nc(C)[nH+]1 ZINC000279045228 948429518 /nfs/dbraw/zinc/42/95/18/948429518.db2.gz CYZFZLPECMUTFS-UHFFFAOYSA-N 2 1 359.543 3.606 20 0 FHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000520655024 948508298 /nfs/dbraw/zinc/50/82/98/948508298.db2.gz YNJCUNIYXBPCQI-RTBURBONSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143022 948538950 /nfs/dbraw/zinc/53/89/50/948538950.db2.gz CMDIFHLXXDYZRJ-QGZVFWFLSA-N 2 1 372.582 3.726 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143022 948538958 /nfs/dbraw/zinc/53/89/58/948538958.db2.gz CMDIFHLXXDYZRJ-QGZVFWFLSA-N 2 1 372.582 3.726 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C2CCCCC2)cc1 ZINC000512163082 948591765 /nfs/dbraw/zinc/59/17/65/948591765.db2.gz DPVDRHHATNMJCR-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000512163082 948591779 /nfs/dbraw/zinc/59/17/79/948591779.db2.gz DPVDRHHATNMJCR-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000512163082 948591787 /nfs/dbraw/zinc/59/17/87/948591787.db2.gz DPVDRHHATNMJCR-UHFFFAOYSA-N 2 1 359.558 3.913 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCCC2)cc1)C1CC1 ZINC000512167384 948615999 /nfs/dbraw/zinc/61/59/99/948615999.db2.gz RBDRYVRZEOTJQG-UHFFFAOYSA-N 2 1 357.542 3.665 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1)C1CC1 ZINC000512167384 948616000 /nfs/dbraw/zinc/61/60/00/948616000.db2.gz RBDRYVRZEOTJQG-UHFFFAOYSA-N 2 1 357.542 3.665 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1)C1CC1 ZINC000512167384 948616004 /nfs/dbraw/zinc/61/60/04/948616004.db2.gz RBDRYVRZEOTJQG-UHFFFAOYSA-N 2 1 357.542 3.665 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177118 948656939 /nfs/dbraw/zinc/65/69/39/948656939.db2.gz FEZCZJFESBTGTF-PZJWPPBQSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177118 948656942 /nfs/dbraw/zinc/65/69/42/948656942.db2.gz FEZCZJFESBTGTF-PZJWPPBQSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177118 948656943 /nfs/dbraw/zinc/65/69/43/948656943.db2.gz FEZCZJFESBTGTF-PZJWPPBQSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177118 948656947 /nfs/dbraw/zinc/65/69/47/948656947.db2.gz FEZCZJFESBTGTF-PZJWPPBQSA-N 2 1 352.526 3.959 20 0 FHADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC001168007694 948667259 /nfs/dbraw/zinc/66/72/59/948667259.db2.gz GNCLZBSDXHTJAH-SFHVURJKSA-N 2 1 357.929 3.705 20 0 FHADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC001168007694 948667263 /nfs/dbraw/zinc/66/72/63/948667263.db2.gz GNCLZBSDXHTJAH-SFHVURJKSA-N 2 1 357.929 3.705 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc4ccccc4n3)CC2)C[C@H](C)O1 ZINC000512187359 948737222 /nfs/dbraw/zinc/73/72/22/948737222.db2.gz QAMYUMJAUGAYFN-HDICACEKSA-N 2 1 353.510 3.556 20 0 FHADMP CCCCCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536491947 948740924 /nfs/dbraw/zinc/74/09/24/948740924.db2.gz PJCNDDDKECIFIJ-HXUWFJFHSA-N 2 1 371.569 3.669 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000367215061 948796395 /nfs/dbraw/zinc/79/63/95/948796395.db2.gz CHCJQYPOWQMOQD-HXUWFJFHSA-N 2 1 353.445 3.622 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000367215061 948796402 /nfs/dbraw/zinc/79/64/02/948796402.db2.gz CHCJQYPOWQMOQD-HXUWFJFHSA-N 2 1 353.445 3.622 20 0 FHADMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCCC1 ZINC000066244078 948823134 /nfs/dbraw/zinc/82/31/34/948823134.db2.gz BHKFOSZFBCTRIJ-IBGZPJMESA-N 2 1 352.482 3.859 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncc(F)c3)CC2)cs1 ZINC000161788956 567964734 /nfs/dbraw/zinc/96/47/34/567964734.db2.gz QZHGLSIXUTVTIF-CQSZACIVSA-N 2 1 362.518 3.802 20 0 FHADMP CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]1 ZINC000602572951 567996322 /nfs/dbraw/zinc/99/63/22/567996322.db2.gz VMNBVWUIJSKZBT-AWEZNQCLSA-N 2 1 352.438 3.536 20 0 FHADMP CSC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667611 568014182 /nfs/dbraw/zinc/01/41/82/568014182.db2.gz QTFZORFPQHEUCS-FPOVZHCZSA-N 3 1 373.610 3.772 20 0 FHADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667611 568014183 /nfs/dbraw/zinc/01/41/83/568014183.db2.gz QTFZORFPQHEUCS-FPOVZHCZSA-N 3 1 373.610 3.772 20 0 FHADMP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603408217 568097660 /nfs/dbraw/zinc/09/76/60/568097660.db2.gz SVKRYWNDLGZUFU-KRWDZBQOSA-N 2 1 369.513 3.781 20 0 FHADMP CC(=O)Nc1ccccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000311887058 568178022 /nfs/dbraw/zinc/17/80/22/568178022.db2.gz COQZWCCHRIDGDO-QFIPXVFZSA-N 2 1 351.494 3.647 20 0 FHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000563149485 568295174 /nfs/dbraw/zinc/29/51/74/568295174.db2.gz FOAXSOJIHMFOJX-AWEZNQCLSA-N 2 1 368.506 3.625 20 0 FHADMP CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cccc(Cl)c1 ZINC000365226328 568338928 /nfs/dbraw/zinc/33/89/28/568338928.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 2 1 361.961 3.938 20 0 FHADMP C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338929 /nfs/dbraw/zinc/33/89/29/568338929.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 2 1 361.961 3.938 20 0 FHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338930 /nfs/dbraw/zinc/33/89/30/568338930.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338931 /nfs/dbraw/zinc/33/89/31/568338931.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 2 1 361.961 3.938 20 0 FHADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338932 /nfs/dbraw/zinc/33/89/32/568338932.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 2 1 361.961 3.938 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822476937 607014240 /nfs/dbraw/zinc/01/42/40/607014240.db2.gz AMGPBMBNOYZBCG-GJZGRUSLSA-N 2 1 373.464 3.773 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3cc2Cl)c2c1CC[NH2+]C2 ZINC001164685774 719617428 /nfs/dbraw/zinc/61/74/28/719617428.db2.gz VXAWYIIZMXTYMF-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3cc2Cl)c2c1CC[NH2+]C2 ZINC001164685774 719617442 /nfs/dbraw/zinc/61/74/42/719617442.db2.gz VXAWYIIZMXTYMF-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000583023202 936377679 /nfs/dbraw/zinc/37/76/79/936377679.db2.gz CYKKRAKRKYMNFW-ZJOUEHCJSA-N 2 1 371.912 3.682 20 0 FHADMP C[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000583023202 936377684 /nfs/dbraw/zinc/37/76/84/936377684.db2.gz CYKKRAKRKYMNFW-ZJOUEHCJSA-N 2 1 371.912 3.682 20 0 FHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@@H+](C)Cc1ccccc1 ZINC000583075856 937097619 /nfs/dbraw/zinc/09/76/19/937097619.db2.gz DYHRBLDNZBUDPQ-OALUTQOASA-N 2 1 363.509 3.829 20 0 FHADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000530460285 927550517 /nfs/dbraw/zinc/55/05/17/927550517.db2.gz HMRMJZMTFSINKM-INIZCTEOSA-N 2 1 350.304 3.726 20 0 FHADMP COc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1F ZINC000154151046 937178738 /nfs/dbraw/zinc/17/87/38/937178738.db2.gz TZZMIXAODDQBLO-AWEZNQCLSA-N 2 1 358.461 3.561 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510078997 927797094 /nfs/dbraw/zinc/79/70/94/927797094.db2.gz NNOZEIINWGZDDW-QHCPKHFHSA-N 2 1 357.586 3.846 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083449 927937811 /nfs/dbraw/zinc/93/78/11/927937811.db2.gz UKZBLGIBRWEUTC-RTWAWAEBSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510083449 927937822 /nfs/dbraw/zinc/93/78/22/927937822.db2.gz UKZBLGIBRWEUTC-RTWAWAEBSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510083449 927937826 /nfs/dbraw/zinc/93/78/26/927937826.db2.gz UKZBLGIBRWEUTC-RTWAWAEBSA-N 2 1 371.569 3.668 20 0 FHADMP CC[NH+]1CCC(C[N@H+]2Cc3ccc(Br)cc3C[C@@H]2C)CC1 ZINC001208603398 928226512 /nfs/dbraw/zinc/22/65/12/928226512.db2.gz CRTBHDZURDVWOR-AWEZNQCLSA-N 2 1 351.332 3.928 20 0 FHADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683229358 928392446 /nfs/dbraw/zinc/39/24/46/928392446.db2.gz GXFMEWWORSRHLH-PMACEKPBSA-N 2 1 358.551 3.950 20 0 FHADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000683229358 928392456 /nfs/dbraw/zinc/39/24/56/928392456.db2.gz GXFMEWWORSRHLH-PMACEKPBSA-N 2 1 358.551 3.950 20 0 FHADMP Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157683107 928430838 /nfs/dbraw/zinc/43/08/38/928430838.db2.gz PAPFVHYAAMTGRJ-FDDCHVKYSA-N 2 1 369.553 3.511 20 0 FHADMP CC/C=C\CC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001208725372 928539224 /nfs/dbraw/zinc/53/92/24/928539224.db2.gz JXVZQKQKXXHLFD-PYTPGESOSA-N 2 1 363.571 3.802 20 0 FHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000648746287 928564316 /nfs/dbraw/zinc/56/43/16/928564316.db2.gz SVRKVPWGYDUJOW-SFHVURJKSA-N 2 1 360.546 3.511 20 0 FHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000648746287 928564323 /nfs/dbraw/zinc/56/43/23/928564323.db2.gz SVRKVPWGYDUJOW-SFHVURJKSA-N 2 1 360.546 3.511 20 0 FHADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000583233314 937263733 /nfs/dbraw/zinc/26/37/33/937263733.db2.gz CSHSABHBJLDHRG-FQEVSTJZSA-N 2 1 355.530 3.611 20 0 FHADMP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000647281478 937269956 /nfs/dbraw/zinc/26/99/56/937269956.db2.gz QUVARJKDUXBDQC-JOCHJYFZSA-N 2 1 353.510 3.791 20 0 FHADMP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894904 928907552 /nfs/dbraw/zinc/90/75/52/928907552.db2.gz WZNMPYTYLCYFFO-CYGHRXIMSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894904 928907559 /nfs/dbraw/zinc/90/75/59/928907559.db2.gz WZNMPYTYLCYFFO-CYGHRXIMSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894904 928907562 /nfs/dbraw/zinc/90/75/62/928907562.db2.gz WZNMPYTYLCYFFO-CYGHRXIMSA-N 2 1 355.448 3.812 20 0 FHADMP C[C@H](C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)C(F)(F)F ZINC001208894904 928907569 /nfs/dbraw/zinc/90/75/69/928907569.db2.gz WZNMPYTYLCYFFO-CYGHRXIMSA-N 2 1 355.448 3.812 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1c1cccn1C)C1CC[NH+](C)CC1 ZINC000179707520 928936297 /nfs/dbraw/zinc/93/62/97/928936297.db2.gz FOQMWZRABRIJBE-HSZRJFAPSA-N 2 1 366.553 3.893 20 0 FHADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150856523 937288818 /nfs/dbraw/zinc/28/88/18/937288818.db2.gz PQDBITBNCGTANH-GOSISDBHSA-N 2 1 363.509 3.960 20 0 FHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750460 937333120 /nfs/dbraw/zinc/33/31/20/937333120.db2.gz AEJIGYJYMGLZPA-FERCGXDMSA-N 2 1 368.443 3.952 20 0 FHADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515820 929536554 /nfs/dbraw/zinc/53/65/54/929536554.db2.gz ZLIKQRUXNRFXNK-GGAORHGYSA-N 2 1 368.521 3.611 20 0 FHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137727416 929679750 /nfs/dbraw/zinc/67/97/50/929679750.db2.gz LPBWNRSPXKHSNK-FQEVSTJZSA-N 2 1 359.558 3.994 20 0 FHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736414 929691228 /nfs/dbraw/zinc/69/12/28/929691228.db2.gz WJOMDMRTGZCXEI-HXUWFJFHSA-N 2 1 359.558 3.994 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736414 929691234 /nfs/dbraw/zinc/69/12/34/929691234.db2.gz WJOMDMRTGZCXEI-HXUWFJFHSA-N 2 1 359.558 3.994 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736414 929691239 /nfs/dbraw/zinc/69/12/39/929691239.db2.gz WJOMDMRTGZCXEI-HXUWFJFHSA-N 2 1 359.558 3.994 20 0 FHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000579976179 929739078 /nfs/dbraw/zinc/73/90/78/929739078.db2.gz MTKCGHCRNPSVQR-HZEGPAAWSA-N 2 1 369.578 3.818 20 0 FHADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000275661652 929766182 /nfs/dbraw/zinc/76/61/82/929766182.db2.gz OCPWEJYOVZHBIH-HKUYNNGSSA-N 2 1 372.557 3.565 20 0 FHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657753080 937358818 /nfs/dbraw/zinc/35/88/18/937358818.db2.gz TWYFSUYUEBDCOJ-NKAIQICCSA-N 2 1 366.452 3.534 20 0 FHADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691287 929808321 /nfs/dbraw/zinc/80/83/21/929808321.db2.gz AVVHAMQWQTYUCV-YUMYIRISSA-N 2 1 366.553 3.945 20 0 FHADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167337292 929988984 /nfs/dbraw/zinc/98/89/84/929988984.db2.gz MFGAPEOFLDGBMM-OAQYLSRUSA-N 2 1 351.538 3.806 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371280 930173794 /nfs/dbraw/zinc/17/37/94/930173794.db2.gz FMCWOIFANWRIRG-RDJZCZTQSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000610371280 930173800 /nfs/dbraw/zinc/17/38/00/930173800.db2.gz FMCWOIFANWRIRG-RDJZCZTQSA-N 2 1 353.913 3.640 20 0 FHADMP C[N@@H+](CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000548061174 930245259 /nfs/dbraw/zinc/24/52/59/930245259.db2.gz NJDKUGZBAUOZJQ-UHFFFAOYSA-N 2 1 357.542 3.553 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064613 930268095 /nfs/dbraw/zinc/26/80/95/930268095.db2.gz KMNLTUZGOALLFX-UGKGYDQZSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064613 930268103 /nfs/dbraw/zinc/26/81/03/930268103.db2.gz KMNLTUZGOALLFX-UGKGYDQZSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064613 930268108 /nfs/dbraw/zinc/26/81/08/930268108.db2.gz KMNLTUZGOALLFX-UGKGYDQZSA-N 2 1 371.569 3.668 20 0 FHADMP COC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(Cl)c1 ZINC000580134398 930288288 /nfs/dbraw/zinc/28/82/88/930288288.db2.gz APMKISDHGYJNFD-IBGZPJMESA-N 2 1 362.901 3.758 20 0 FHADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000683834635 930357479 /nfs/dbraw/zinc/35/74/79/930357479.db2.gz OSPCRPAIPWOIHO-NRFANRHFSA-N 2 1 371.569 3.527 20 0 FHADMP Cc1[nH+]c2ccc(N(Cc3ccccc3)C3(C[NH3+])COC3)cc2n1C(C)C ZINC001167374508 930438548 /nfs/dbraw/zinc/43/85/48/930438548.db2.gz IPAJGKIGQHQHSV-UHFFFAOYSA-N 2 1 364.493 3.660 20 0 FHADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325553 930505420 /nfs/dbraw/zinc/50/54/20/930505420.db2.gz QXWOGOGALNHBQA-ACIOBRDBSA-N 2 1 368.521 3.538 20 0 FHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325553 930505424 /nfs/dbraw/zinc/50/54/24/930505424.db2.gz QXWOGOGALNHBQA-ACIOBRDBSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325553 930505432 /nfs/dbraw/zinc/50/54/32/930505432.db2.gz QXWOGOGALNHBQA-ACIOBRDBSA-N 2 1 368.521 3.538 20 0 FHADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325553 930505435 /nfs/dbraw/zinc/50/54/35/930505435.db2.gz QXWOGOGALNHBQA-ACIOBRDBSA-N 2 1 368.521 3.538 20 0 FHADMP CC1(C)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1Oc1ccccc1 ZINC000580338837 930524536 /nfs/dbraw/zinc/52/45/36/930524536.db2.gz CUBGTGKEIHKFGB-SFTDATJTSA-N 2 1 372.553 3.857 20 0 FHADMP Cc1cccc2ncc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n21 ZINC000583413328 937421741 /nfs/dbraw/zinc/42/17/41/937421741.db2.gz XHAXWRSMTAPNLF-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n21 ZINC000583413328 937421742 /nfs/dbraw/zinc/42/17/42/937421742.db2.gz XHAXWRSMTAPNLF-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)n21 ZINC000583413328 937421745 /nfs/dbraw/zinc/42/17/45/937421745.db2.gz XHAXWRSMTAPNLF-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1cccc2ncc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)n21 ZINC000583413328 937421746 /nfs/dbraw/zinc/42/17/46/937421746.db2.gz XHAXWRSMTAPNLF-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927881 930639453 /nfs/dbraw/zinc/63/94/53/930639453.db2.gz PPNVHGYDEHNEEF-UHFFFAOYSA-N 2 1 362.521 3.595 20 0 FHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000580409243 930647506 /nfs/dbraw/zinc/64/75/06/930647506.db2.gz JGQYLAHDJZYRFB-OALUTQOASA-N 2 1 357.523 3.528 20 0 FHADMP C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000125598803 930678559 /nfs/dbraw/zinc/67/85/59/930678559.db2.gz OIJOIIAKIQIHLG-IBGZPJMESA-N 2 1 361.549 3.544 20 0 FHADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)n2c1CCCC2 ZINC000684026899 931009207 /nfs/dbraw/zinc/00/92/07/931009207.db2.gz YBYOLIGEQDRUJJ-GOSISDBHSA-N 2 1 351.494 3.965 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312994003 931234943 /nfs/dbraw/zinc/23/49/43/931234943.db2.gz MONGDEBTTKTVFE-UGKGYDQZSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000127358417 931323594 /nfs/dbraw/zinc/32/35/94/931323594.db2.gz YNTLSXUGAGUSFH-KDURUIRLSA-N 2 1 353.510 3.728 20 0 FHADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2ccccn2)CC1 ZINC000581134725 931606027 /nfs/dbraw/zinc/60/60/27/931606027.db2.gz YKMHDTWYZSSKJY-HXUWFJFHSA-N 2 1 370.516 3.502 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc3c(cc2OC)OCO3)CC1)CC1CC1 ZINC000544928134 931708747 /nfs/dbraw/zinc/70/87/47/931708747.db2.gz NMHLIPWUIDMPLP-UHFFFAOYSA-N 2 1 374.525 3.758 20 0 FHADMP C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163157 931973658 /nfs/dbraw/zinc/97/36/58/931973658.db2.gz YTSGAYONLOXJHK-DSKINZAPSA-N 2 1 357.567 3.851 20 0 FHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000581458586 932091998 /nfs/dbraw/zinc/09/19/98/932091998.db2.gz ZIVQPYRIKLTEEQ-INIZCTEOSA-N 2 1 365.949 3.655 20 0 FHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000581458586 932092011 /nfs/dbraw/zinc/09/20/11/932092011.db2.gz ZIVQPYRIKLTEEQ-INIZCTEOSA-N 2 1 365.949 3.655 20 0 FHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000647166249 932289043 /nfs/dbraw/zinc/28/90/43/932289043.db2.gz FFMQBDDIJBHFGJ-UHFFFAOYSA-N 2 1 364.493 3.743 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783321 932411141 /nfs/dbraw/zinc/41/11/41/932411141.db2.gz PAYQBYMKHBCIIJ-OAQYLSRUSA-N 2 1 365.521 3.969 20 0 FHADMP COc1sc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656782796 932411903 /nfs/dbraw/zinc/41/19/03/932411903.db2.gz JTNNSVZCEPSGDG-ZDUSSCGKSA-N 2 1 373.360 3.731 20 0 FHADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(OC)c1OCc1ccccc1 ZINC000656789279 932426727 /nfs/dbraw/zinc/42/67/27/932426727.db2.gz LEYFOUPVGGTNOQ-UHFFFAOYSA-N 2 1 370.493 3.644 20 0 FHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000656790468 932427402 /nfs/dbraw/zinc/42/74/02/932427402.db2.gz UPOLSTXJOGQYGK-CBQOVEMMSA-N 2 1 366.505 3.687 20 0 FHADMP CN(CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(F)(F)F ZINC000647171259 932428594 /nfs/dbraw/zinc/42/85/94/932428594.db2.gz DLCJEGDWOOQXDD-GOSISDBHSA-N 2 1 369.475 3.657 20 0 FHADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(F)(F)F ZINC000647171259 932428596 /nfs/dbraw/zinc/42/85/96/932428596.db2.gz DLCJEGDWOOQXDD-GOSISDBHSA-N 2 1 369.475 3.657 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000156188276 932675214 /nfs/dbraw/zinc/67/52/14/932675214.db2.gz WNKAFLVPESEBHN-KRWDZBQOSA-N 2 1 365.512 3.880 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000647184411 932739122 /nfs/dbraw/zinc/73/91/22/932739122.db2.gz FGBGXQWYIHSMIA-LFVTVUPYSA-N 2 1 356.432 3.855 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000647184411 932739124 /nfs/dbraw/zinc/73/91/24/932739124.db2.gz FGBGXQWYIHSMIA-LFVTVUPYSA-N 2 1 356.432 3.855 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000647193522 932901480 /nfs/dbraw/zinc/90/14/80/932901480.db2.gz DRDOEVWDMCUWQS-VWPQPMDRSA-N 2 1 372.578 3.828 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000647193522 932901486 /nfs/dbraw/zinc/90/14/86/932901486.db2.gz DRDOEVWDMCUWQS-VWPQPMDRSA-N 2 1 372.578 3.828 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000157761052 933028524 /nfs/dbraw/zinc/02/85/24/933028524.db2.gz QBNBQYYRKPDULU-DHIUTWEWSA-N 2 1 368.496 3.952 20 0 FHADMP c1ccc(CSCC[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000430737503 933189772 /nfs/dbraw/zinc/18/97/72/933189772.db2.gz BVBXJWBBOQTMQO-UHFFFAOYSA-N 2 1 356.535 3.542 20 0 FHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000510554178 933219715 /nfs/dbraw/zinc/21/97/15/933219715.db2.gz XLEUQTKIPNUTQO-QMMLZNLJSA-N 2 1 357.542 3.509 20 0 FHADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000430934416 933440174 /nfs/dbraw/zinc/44/01/74/933440174.db2.gz MKRFBLRRGYJSJC-MRXNPFEDSA-N 2 1 369.534 3.836 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952011 933560228 /nfs/dbraw/zinc/56/02/28/933560228.db2.gz UJZYTPJIBXAOCH-BBRMVZONSA-N 2 1 370.324 3.786 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000548420468 933584592 /nfs/dbraw/zinc/58/45/92/933584592.db2.gz TTXLDTBKUJEMBQ-RTWAWAEBSA-N 2 1 357.542 3.616 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994568 933697479 /nfs/dbraw/zinc/69/74/79/933697479.db2.gz CZKCVLOECHXGCO-MJGOQNOKSA-N 2 1 372.475 3.566 20 0 FHADMP CCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000431034024 933718174 /nfs/dbraw/zinc/71/81/74/933718174.db2.gz MAFAUXFOIGPJEO-MPJJRAAHSA-N 2 1 371.569 3.696 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823457 933806767 /nfs/dbraw/zinc/80/67/67/933806767.db2.gz BNHCLXUOVNWRQD-MOPGFXCFSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823457 933806769 /nfs/dbraw/zinc/80/67/69/933806769.db2.gz BNHCLXUOVNWRQD-MOPGFXCFSA-N 2 1 359.558 3.910 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823457 933806780 /nfs/dbraw/zinc/80/67/80/933806780.db2.gz BNHCLXUOVNWRQD-MOPGFXCFSA-N 2 1 359.558 3.910 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684556629 933881068 /nfs/dbraw/zinc/88/10/68/933881068.db2.gz BSJOJFAQEZFXGZ-KIZRIRGWSA-N 2 1 364.537 3.688 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000548449883 933893823 /nfs/dbraw/zinc/89/38/23/933893823.db2.gz QITAXPYUXQDHLI-MSOLQXFVSA-N 2 1 359.558 3.701 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485076 934136633 /nfs/dbraw/zinc/13/66/33/934136633.db2.gz RZKUXOKKDVZZHY-JKSUJKDBSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485076 934136635 /nfs/dbraw/zinc/13/66/35/934136635.db2.gz RZKUXOKKDVZZHY-JKSUJKDBSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000092706368 934141163 /nfs/dbraw/zinc/14/11/63/934141163.db2.gz AJQIIXFLJKBVTF-OAQYLSRUSA-N 2 1 373.585 3.629 20 0 FHADMP CC(C)C(=O)NC[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000092706368 934141164 /nfs/dbraw/zinc/14/11/64/934141164.db2.gz AJQIIXFLJKBVTF-OAQYLSRUSA-N 2 1 373.585 3.629 20 0 FHADMP CC(C)C(=O)NC[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000092706368 934141165 /nfs/dbraw/zinc/14/11/65/934141165.db2.gz AJQIIXFLJKBVTF-OAQYLSRUSA-N 2 1 373.585 3.629 20 0 FHADMP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548486844 934161505 /nfs/dbraw/zinc/16/15/05/934161505.db2.gz MZCKYFAPZYPKRL-ICSRJNTNSA-N 2 1 362.521 3.616 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000510935922 934192905 /nfs/dbraw/zinc/19/29/05/934192905.db2.gz UWSSRBMJJNDCEQ-LBPRGKRZSA-N 2 1 354.267 3.704 20 0 FHADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)ccn1 ZINC000181041834 934524552 /nfs/dbraw/zinc/52/45/52/934524552.db2.gz SABWHALGJJGIFW-UHFFFAOYSA-N 2 1 367.449 3.697 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C1CCCC1 ZINC000657260439 934859980 /nfs/dbraw/zinc/85/99/80/934859980.db2.gz MLOCYHZHYOFATK-XZOQPEGZSA-N 2 1 372.553 3.534 20 0 FHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963817 934987188 /nfs/dbraw/zinc/98/71/88/934987188.db2.gz WJFVNASEVVZBRU-GCJKJVERSA-N 2 1 365.521 3.543 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657310734 935092366 /nfs/dbraw/zinc/09/23/66/935092366.db2.gz RUEQFSAYVXHJMA-SFHVURJKSA-N 2 1 352.526 3.957 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000511053899 935100139 /nfs/dbraw/zinc/10/01/39/935100139.db2.gz HIYWTQYROGZCMZ-GOSISDBHSA-N 2 1 357.542 3.665 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000511053899 935100148 /nfs/dbraw/zinc/10/01/48/935100148.db2.gz HIYWTQYROGZCMZ-GOSISDBHSA-N 2 1 357.542 3.665 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000511053899 935100151 /nfs/dbraw/zinc/10/01/51/935100151.db2.gz HIYWTQYROGZCMZ-GOSISDBHSA-N 2 1 357.542 3.665 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1I ZINC000511055113 935123929 /nfs/dbraw/zinc/12/39/29/935123929.db2.gz VJJGVXLEVBUFNA-LBPRGKRZSA-N 2 1 369.250 3.537 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1NC(C)=O ZINC000157885217 935218360 /nfs/dbraw/zinc/21/83/60/935218360.db2.gz VAKZJOWENBATMI-SJORKVTESA-N 2 1 361.530 3.959 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000157905138 935220285 /nfs/dbraw/zinc/22/02/85/935220285.db2.gz NMSSVBCNCMZNSC-HOTGVXAUSA-N 2 1 366.937 3.554 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000657328637 935230841 /nfs/dbraw/zinc/23/08/41/935230841.db2.gz CCYVVPOSJPQFRF-IBGZPJMESA-N 2 1 368.521 3.904 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000657328637 935230843 /nfs/dbraw/zinc/23/08/43/935230843.db2.gz CCYVVPOSJPQFRF-IBGZPJMESA-N 2 1 368.521 3.904 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)[nH]c2c1 ZINC000657329262 935231411 /nfs/dbraw/zinc/23/14/11/935231411.db2.gz KJXSRAYCXGEMRH-SFHVURJKSA-N 2 1 363.505 3.987 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)[nH]c2c1 ZINC000657329262 935231415 /nfs/dbraw/zinc/23/14/15/935231415.db2.gz KJXSRAYCXGEMRH-SFHVURJKSA-N 2 1 363.505 3.987 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657332954 935247487 /nfs/dbraw/zinc/24/74/87/935247487.db2.gz VNKYMFREBNNLFT-HSZRJFAPSA-N 2 1 368.521 3.984 20 0 FHADMP C[C@H](Cc1ccsc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544024231 935251590 /nfs/dbraw/zinc/25/15/90/935251590.db2.gz WDWDNZBMYDPXMW-KURKYZTESA-N 2 1 350.572 3.890 20 0 FHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000518152297 945088590 /nfs/dbraw/zinc/08/85/90/945088590.db2.gz BZNNYBIGQQHVPP-QFBILLFUSA-N 2 1 366.933 3.718 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000518152297 945088600 /nfs/dbraw/zinc/08/86/00/945088600.db2.gz BZNNYBIGQQHVPP-QFBILLFUSA-N 2 1 366.933 3.718 20 0 FHADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n(CC2CC2)n1 ZINC000657360052 935349223 /nfs/dbraw/zinc/34/92/23/935349223.db2.gz VMOHEIQDUNMERW-UHFFFAOYSA-N 2 1 352.526 3.959 20 0 FHADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582181873 935382477 /nfs/dbraw/zinc/38/24/77/935382477.db2.gz XKNXYNMYXSXJHU-AQNXPRMDSA-N 2 1 356.510 3.505 20 0 FHADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582181873 935382482 /nfs/dbraw/zinc/38/24/82/935382482.db2.gz XKNXYNMYXSXJHU-AQNXPRMDSA-N 2 1 356.510 3.505 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657375223 935443589 /nfs/dbraw/zinc/44/35/89/935443589.db2.gz WOFZLACXDWBICM-UZLBHIALSA-N 2 1 358.555 3.922 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657375223 935443592 /nfs/dbraw/zinc/44/35/92/935443592.db2.gz WOFZLACXDWBICM-UZLBHIALSA-N 2 1 358.555 3.922 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233730 935460057 /nfs/dbraw/zinc/46/00/57/935460057.db2.gz JFYBEUWETDUQSY-GIVPXCGWSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233730 935460059 /nfs/dbraw/zinc/46/00/59/935460059.db2.gz JFYBEUWETDUQSY-GIVPXCGWSA-N 2 1 367.493 3.557 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000582268321 935470540 /nfs/dbraw/zinc/47/05/40/935470540.db2.gz IULFWUVCBUXFOZ-QGZVFWFLSA-N 2 1 366.933 3.911 20 0 FHADMP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657385401 935487163 /nfs/dbraw/zinc/48/71/63/935487163.db2.gz VRTGWIXIPUQVPC-QFIPXVFZSA-N 2 1 358.526 3.741 20 0 FHADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000519078249 945104337 /nfs/dbraw/zinc/10/43/37/945104337.db2.gz HWHBETADTYFWMO-RBUKOAKNSA-N 2 1 374.573 3.591 20 0 FHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000519078250 945104402 /nfs/dbraw/zinc/10/44/02/945104402.db2.gz HWHBETADTYFWMO-RTBURBONSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001167985045 945107453 /nfs/dbraw/zinc/10/74/53/945107453.db2.gz TVLPMTNPTXKDLH-DAWJRCITSA-N 2 1 367.581 3.987 20 0 FHADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1cc2ccccc2o1 ZINC000582410634 935664430 /nfs/dbraw/zinc/66/44/30/935664430.db2.gz MXYJZANBMPKUIE-CVEARBPZSA-N 2 1 369.509 3.605 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)[nH]c2c1 ZINC000657430568 935720222 /nfs/dbraw/zinc/72/02/22/935720222.db2.gz RGYRSTYLTPSGID-QFIPXVFZSA-N 2 1 363.505 3.723 20 0 FHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccccn2)CC1 ZINC000159018123 935783797 /nfs/dbraw/zinc/78/37/97/935783797.db2.gz IURJOFZMKJWELH-IAGOWNOFSA-N 2 1 356.489 3.774 20 0 FHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000657452840 935809988 /nfs/dbraw/zinc/80/99/88/935809988.db2.gz KPDBLYTUOPFTSC-DENIHFKCSA-N 2 1 368.521 3.712 20 0 FHADMP Fc1ccc(/C=C\CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793783 945131059 /nfs/dbraw/zinc/13/10/59/945131059.db2.gz QXKPDLOCZTXNBR-HOKKKISVSA-N 2 1 372.459 3.859 20 0 FHADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1cc(F)ccc1F ZINC000051793717 935881791 /nfs/dbraw/zinc/88/17/91/935881791.db2.gz DNWMAXZAQSGKHA-HXUWFJFHSA-N 2 1 352.469 3.586 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@H]2CCC[C@H]21 ZINC000582658209 935915784 /nfs/dbraw/zinc/91/57/84/935915784.db2.gz UIZFHEICEBGZEF-XFBWCDHKSA-N 2 1 359.258 3.690 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)[C@H]2CCC[C@H]21 ZINC000582658209 935915787 /nfs/dbraw/zinc/91/57/87/935915787.db2.gz UIZFHEICEBGZEF-XFBWCDHKSA-N 2 1 359.258 3.690 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439970902 945134050 /nfs/dbraw/zinc/13/40/50/945134050.db2.gz ILQXDCIWZIUZPC-XMSQKQJNSA-N 2 1 369.553 3.735 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000075007935 936003157 /nfs/dbraw/zinc/00/31/57/936003157.db2.gz RRIGLSPBRKQKOJ-KRWDZBQOSA-N 2 1 372.513 3.620 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000563460842 936061622 /nfs/dbraw/zinc/06/16/22/936061622.db2.gz ZKHCSHCSQAHOOM-GDBMZVCRSA-N 2 1 363.552 3.590 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)cc2)C1 ZINC000657598062 936080483 /nfs/dbraw/zinc/08/04/83/936080483.db2.gz XQGIUIIBNMWYHM-DEOSSOPVSA-N 2 1 373.500 3.605 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3Cl)cc2)C1 ZINC000657597700 936081058 /nfs/dbraw/zinc/08/10/58/936081058.db2.gz WUJOBYQYLFNNHS-GOSISDBHSA-N 2 1 365.304 3.850 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161545272 936267117 /nfs/dbraw/zinc/26/71/17/936267117.db2.gz RLFVREKMWRCEKX-UHFFFAOYSA-N 2 1 370.493 3.687 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271515 936267712 /nfs/dbraw/zinc/26/77/12/936267712.db2.gz BWCKUHMUPNVYHD-QAPCUYQASA-N 2 1 356.457 3.782 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000078804623 936280566 /nfs/dbraw/zinc/28/05/66/936280566.db2.gz SHHCICOBXWMTBH-OXJNMPFZSA-N 2 1 368.949 3.583 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000519601233 945160006 /nfs/dbraw/zinc/16/00/06/945160006.db2.gz FVNAEFVEKODEFA-IBGZPJMESA-N 2 1 371.569 3.613 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cnn(C4CCCC4)c3)CC2)nc(C)[nH+]1 ZINC000548793856 938255579 /nfs/dbraw/zinc/25/55/79/938255579.db2.gz XSYMOKBMMJHTSL-MRXNPFEDSA-N 2 1 368.529 3.725 20 0 FHADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CCCn4ccnc4C)CC3)c2c1 ZINC000127421543 938268997 /nfs/dbraw/zinc/26/89/97/938268997.db2.gz JAYFWGDSAOKEHP-UHFFFAOYSA-N 2 1 350.466 3.861 20 0 FHADMP COc1ccc2[nH]cc(C3=CC[N@H+](CCCn4cc[nH+]c4C)CC3)c2c1 ZINC000127421543 938269000 /nfs/dbraw/zinc/26/90/00/938269000.db2.gz JAYFWGDSAOKEHP-UHFFFAOYSA-N 2 1 350.466 3.861 20 0 FHADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CCCn4cc[nH+]c4C)CC3)c2c1 ZINC000127421543 938269002 /nfs/dbraw/zinc/26/90/02/938269002.db2.gz JAYFWGDSAOKEHP-UHFFFAOYSA-N 2 1 350.466 3.861 20 0 FHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Br)c(F)cc3F)C[C@H]2CC1 ZINC001279623840 938285166 /nfs/dbraw/zinc/28/51/66/938285166.db2.gz CDLQFKKFVMNHAT-TXEJJXNPSA-N 2 1 359.258 3.501 20 0 FHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Br)c(F)cc3F)C[C@H]2CC1 ZINC001279623840 938285168 /nfs/dbraw/zinc/28/51/68/938285168.db2.gz CDLQFKKFVMNHAT-TXEJJXNPSA-N 2 1 359.258 3.501 20 0 FHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3F)C[C@H]2CC1 ZINC001279623840 938285170 /nfs/dbraw/zinc/28/51/70/938285170.db2.gz CDLQFKKFVMNHAT-TXEJJXNPSA-N 2 1 359.258 3.501 20 0 FHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Br)c(F)cc3F)C[C@H]2CC1 ZINC001279623840 938285172 /nfs/dbraw/zinc/28/51/72/938285172.db2.gz CDLQFKKFVMNHAT-TXEJJXNPSA-N 2 1 359.258 3.501 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706768 938286638 /nfs/dbraw/zinc/28/66/38/938286638.db2.gz RWMISOSQFSGIGH-CMKODMSKSA-N 2 1 371.550 3.837 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000650707986 938287767 /nfs/dbraw/zinc/28/77/67/938287767.db2.gz RDESILMCWLGJTD-KSZLIROESA-N 2 1 357.523 3.528 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cs2)cc1 ZINC000650722978 938310081 /nfs/dbraw/zinc/31/00/81/938310081.db2.gz FPFPQNFAYLLHKY-DFQSSKMNSA-N 2 1 371.550 3.979 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724143 938311237 /nfs/dbraw/zinc/31/12/37/938311237.db2.gz YQYHBMWSHHCHNZ-QYZOEREBSA-N 2 1 359.901 3.749 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C(F)(F)F ZINC000650725284 938313508 /nfs/dbraw/zinc/31/35/08/938313508.db2.gz XLHNRRUSLYGPMC-NXHRZFHOSA-N 2 1 356.432 3.875 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000126931313 938326890 /nfs/dbraw/zinc/32/68/90/938326890.db2.gz XXZUWFFGBMPTHR-JXFKEZNVSA-N 2 1 366.509 3.622 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000246371916 938360685 /nfs/dbraw/zinc/36/06/85/938360685.db2.gz OCJUIOKLHPWDCR-PGRDOPGGSA-N 2 1 365.521 3.625 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000583800351 938418851 /nfs/dbraw/zinc/41/88/51/938418851.db2.gz OYUSSLRDIYAWEY-IBGZPJMESA-N 2 1 352.526 3.703 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000130681445 938428032 /nfs/dbraw/zinc/42/80/32/938428032.db2.gz WEXXABFVXHUZLV-GFCCVEGCSA-N 2 1 369.296 3.847 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000130681445 938428035 /nfs/dbraw/zinc/42/80/35/938428035.db2.gz WEXXABFVXHUZLV-GFCCVEGCSA-N 2 1 369.296 3.847 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000080573279 938486364 /nfs/dbraw/zinc/48/63/64/938486364.db2.gz JGMDSOPIXHYLBT-QUCCMNQESA-N 2 1 366.509 3.868 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000080573279 938486365 /nfs/dbraw/zinc/48/63/65/938486365.db2.gz JGMDSOPIXHYLBT-QUCCMNQESA-N 2 1 366.509 3.868 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1F ZINC000583958654 938504712 /nfs/dbraw/zinc/50/47/12/938504712.db2.gz WDSHVUHLZRFETB-LJQANCHMSA-N 2 1 363.452 3.931 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC23CC3)cc1 ZINC000657816708 938532270 /nfs/dbraw/zinc/53/22/70/938532270.db2.gz ZHUKHTWULHQNIC-HSZRJFAPSA-N 3 1 367.581 3.895 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC23CC3)cc1 ZINC000657816708 938532273 /nfs/dbraw/zinc/53/22/73/938532273.db2.gz ZHUKHTWULHQNIC-HSZRJFAPSA-N 3 1 367.581 3.895 20 0 FHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000151373340 938537317 /nfs/dbraw/zinc/53/73/17/938537317.db2.gz NJSWLBRWDQAQNX-SFHVURJKSA-N 2 1 354.494 3.976 20 0 FHADMP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000647322434 938599950 /nfs/dbraw/zinc/59/99/50/938599950.db2.gz VXFZTVNPCDPOGV-ZLNRFVROSA-N 2 1 350.506 3.712 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000584108213 938600399 /nfs/dbraw/zinc/60/03/99/938600399.db2.gz RTOBDIZMVBOIHD-APWZRJJASA-N 2 1 372.538 3.720 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000584108216 938600825 /nfs/dbraw/zinc/60/08/25/938600825.db2.gz RTOBDIZMVBOIHD-VQIMIIECSA-N 2 1 372.538 3.720 20 0 FHADMP CCOC1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000657829376 938607216 /nfs/dbraw/zinc/60/72/16/938607216.db2.gz ZGOOZUKMJGSXHE-OTXOEQGISA-N 2 1 360.542 3.733 20 0 FHADMP O=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)Nc1cccc(F)c1 ZINC000584171943 938628325 /nfs/dbraw/zinc/62/83/25/938628325.db2.gz OJZRNKQQGCCCPA-HXUWFJFHSA-N 2 1 367.468 3.551 20 0 FHADMP Cc1csc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001279658245 938644527 /nfs/dbraw/zinc/64/45/27/938644527.db2.gz YSTSDKULAFVUSE-UHFFFAOYSA-N 2 1 350.919 3.531 20 0 FHADMP CCCC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000584240453 938652778 /nfs/dbraw/zinc/65/27/78/938652778.db2.gz HYVLOIVKVIDPDC-OAQYLSRUSA-N 2 1 363.590 3.658 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)n1 ZINC000081633728 938800213 /nfs/dbraw/zinc/80/02/13/938800213.db2.gz ARGAYZSXPPFSJA-NRFANRHFSA-N 2 1 352.526 3.653 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)n1 ZINC000081633728 938800218 /nfs/dbraw/zinc/80/02/18/938800218.db2.gz ARGAYZSXPPFSJA-NRFANRHFSA-N 2 1 352.526 3.653 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)n1 ZINC000081633728 938800222 /nfs/dbraw/zinc/80/02/22/938800222.db2.gz ARGAYZSXPPFSJA-NRFANRHFSA-N 2 1 352.526 3.653 20 0 FHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000545589783 945206712 /nfs/dbraw/zinc/20/67/12/945206712.db2.gz DBRTWWXEGNDRSJ-IEBWSBKVSA-N 2 1 350.522 3.971 20 0 FHADMP CO[C@@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414924 938834246 /nfs/dbraw/zinc/83/42/46/938834246.db2.gz OFAQJPBFXZOXIO-JQVVWYNYSA-N 2 1 360.542 3.585 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000089641526 938862038 /nfs/dbraw/zinc/86/20/38/938862038.db2.gz XMNQNCKAXXCUCR-MJGOQNOKSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000089641526 938862041 /nfs/dbraw/zinc/86/20/41/938862041.db2.gz XMNQNCKAXXCUCR-MJGOQNOKSA-N 2 1 371.550 3.511 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408860 938873212 /nfs/dbraw/zinc/87/32/12/938873212.db2.gz NINXDVGHBJOXOQ-AEFFLSMTSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408860 938873215 /nfs/dbraw/zinc/87/32/15/938873215.db2.gz NINXDVGHBJOXOQ-AEFFLSMTSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090667800 938882022 /nfs/dbraw/zinc/88/20/22/938882022.db2.gz ZDVFZSVFKWHLMI-IBGZPJMESA-N 2 1 370.585 3.994 20 0 FHADMP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000144364437 938951190 /nfs/dbraw/zinc/95/11/90/938951190.db2.gz CMFIVMWFRLVPLF-JOCHJYFZSA-N 2 1 365.521 3.592 20 0 FHADMP CCCCc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740938 938976272 /nfs/dbraw/zinc/97/62/72/938976272.db2.gz NBZNZGVZIBTJKV-GOSISDBHSA-N 2 1 356.510 3.806 20 0 FHADMP CCCCc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740938 938976274 /nfs/dbraw/zinc/97/62/74/938976274.db2.gz NBZNZGVZIBTJKV-GOSISDBHSA-N 2 1 356.510 3.806 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000657887797 938977706 /nfs/dbraw/zinc/97/77/06/938977706.db2.gz KADFUKHMSIHOEJ-HBFSDRIKSA-N 2 1 366.571 3.552 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000657887797 938977708 /nfs/dbraw/zinc/97/77/08/938977708.db2.gz KADFUKHMSIHOEJ-HBFSDRIKSA-N 2 1 366.571 3.552 20 0 FHADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343691 938978878 /nfs/dbraw/zinc/97/88/78/938978878.db2.gz AFGMOZAZDSLDFY-AAIMPIBUSA-N 2 1 368.521 3.708 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000657887844 938981752 /nfs/dbraw/zinc/98/17/52/938981752.db2.gz MUGJSXJTONDETP-AVRDEDQJSA-N 2 1 360.542 3.633 20 0 FHADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442262 938986819 /nfs/dbraw/zinc/98/68/19/938986819.db2.gz NXPUTMNXXNEQQH-FPOVZHCZSA-N 2 1 360.542 3.677 20 0 FHADMP CC(C)C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457381 938987827 /nfs/dbraw/zinc/98/78/27/938987827.db2.gz BKNPVHWFPSVHTN-FYYLOGMGSA-N 2 1 357.586 3.917 20 0 FHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457403 938987876 /nfs/dbraw/zinc/98/78/76/938987876.db2.gz BTSZJTOXSIEJAF-FQEVSTJZSA-N 2 1 353.510 3.547 20 0 FHADMP CCCCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457302 938987881 /nfs/dbraw/zinc/98/78/81/938987881.db2.gz ALFPKDOXYIVANP-JOCHJYFZSA-N 2 1 373.585 3.856 20 0 FHADMP C[N@@H+](CCCc1c(F)cccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457488 938987936 /nfs/dbraw/zinc/98/79/36/938987936.db2.gz CQMZBQXBRLSAHZ-QGZVFWFLSA-N 2 1 367.940 3.512 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685462158 938988573 /nfs/dbraw/zinc/98/85/73/938988573.db2.gz JUKHEEDUJPHDDV-UHFFFAOYSA-N 2 1 357.889 3.612 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685462158 938988574 /nfs/dbraw/zinc/98/85/74/938988574.db2.gz JUKHEEDUJPHDDV-UHFFFAOYSA-N 2 1 357.889 3.612 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566857 939001213 /nfs/dbraw/zinc/00/12/13/939001213.db2.gz YQTJDRVHJPWPTD-QAPCUYQASA-N 2 1 359.539 3.566 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657969709 939013497 /nfs/dbraw/zinc/01/34/97/939013497.db2.gz UDZAHVXPPNAPBB-JXFKEZNVSA-N 2 1 365.477 3.635 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093638776 939016245 /nfs/dbraw/zinc/01/62/45/939016245.db2.gz UJQZQXGDDRFWFI-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093638776 939016255 /nfs/dbraw/zinc/01/62/55/939016255.db2.gz UJQZQXGDDRFWFI-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000093638776 939016261 /nfs/dbraw/zinc/01/62/61/939016261.db2.gz UJQZQXGDDRFWFI-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP CCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000093638776 939016266 /nfs/dbraw/zinc/01/62/66/939016266.db2.gz UJQZQXGDDRFWFI-PBHICJAKSA-N 2 1 354.922 3.909 20 0 FHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136756 939030949 /nfs/dbraw/zinc/03/09/49/939030949.db2.gz FBLDIKBHCWJHCT-DNVCBOLYSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141272 939035684 /nfs/dbraw/zinc/03/56/84/939035684.db2.gz SKTBIFSBCSDIKZ-KBXCAEBGSA-N 2 1 362.876 3.897 20 0 FHADMP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143159 939035906 /nfs/dbraw/zinc/03/59/06/939035906.db2.gz XGAQYEVDNYLJHH-DYESRHJHSA-N 2 1 356.485 3.503 20 0 FHADMP Cc1ccc(C2CC([NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)C2)cc1 ZINC000658136298 939039985 /nfs/dbraw/zinc/03/99/85/939039985.db2.gz GMXIPQAXKYZKKK-XPPIMPSXSA-N 2 1 350.506 3.597 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137166 939040665 /nfs/dbraw/zinc/04/06/65/939040665.db2.gz JHVYIPCEPPNIIN-FCHUYYIVSA-N 2 1 354.469 3.633 20 0 FHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(C)C)cc1 ZINC000658137628 939040976 /nfs/dbraw/zinc/04/09/76/939040976.db2.gz KUCWNZQEWBOTKH-FYYLOGMGSA-N 2 1 368.521 3.749 20 0 FHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138657 939041603 /nfs/dbraw/zinc/04/16/03/939041603.db2.gz OELANUVPGJKZSK-UWJYYQICSA-N 2 1 364.489 3.720 20 0 FHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138725 939041976 /nfs/dbraw/zinc/04/19/76/939041976.db2.gz KCCJOPRDKXAOFC-HTAPYJJXSA-N 2 1 356.485 3.503 20 0 FHADMP Cc1cc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139630 939042953 /nfs/dbraw/zinc/04/29/53/939042953.db2.gz QPYAVTYRELLACB-FYYLOGMGSA-N 2 1 368.496 3.942 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)[C@@H](C)C2 ZINC000658139393 939043474 /nfs/dbraw/zinc/04/34/74/939043474.db2.gz QDZBBALSNIRTIS-JWNTYJGQSA-N 2 1 350.506 3.585 20 0 FHADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140514 939044104 /nfs/dbraw/zinc/04/41/04/939044104.db2.gz UUCRSDWIYYWESS-CRAIPNDOSA-N 2 1 359.539 3.684 20 0 FHADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140514 939044107 /nfs/dbraw/zinc/04/41/07/939044107.db2.gz UUCRSDWIYYWESS-CRAIPNDOSA-N 2 1 359.539 3.684 20 0 FHADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167745 939054270 /nfs/dbraw/zinc/05/42/70/939054270.db2.gz YUMUZRMHNCOAEY-HARLFGEKSA-N 2 1 368.521 3.883 20 0 FHADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000658167745 939054273 /nfs/dbraw/zinc/05/42/73/939054273.db2.gz YUMUZRMHNCOAEY-HARLFGEKSA-N 2 1 368.521 3.883 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 ZINC000658236346 939078414 /nfs/dbraw/zinc/07/84/14/939078414.db2.gz SLLCAOBWXNVGTR-BUKVSMQUSA-N 2 1 363.509 3.976 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109661 /nfs/dbraw/zinc/10/96/61/939109661.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109671 /nfs/dbraw/zinc/10/96/71/939109671.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 2 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109674 /nfs/dbraw/zinc/10/96/74/939109674.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 2 1 367.581 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109679 /nfs/dbraw/zinc/10/96/79/939109679.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 3 1 367.581 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109682 /nfs/dbraw/zinc/10/96/82/939109682.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109685 /nfs/dbraw/zinc/10/96/85/939109685.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 3 1 367.581 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109689 /nfs/dbraw/zinc/10/96/89/939109689.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 3 1 367.581 3.751 20 0 FHADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320049 939110555 /nfs/dbraw/zinc/11/05/55/939110555.db2.gz NAPAWWYTTMROSU-FXAWDEMLSA-N 2 1 352.526 3.681 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319973 939110777 /nfs/dbraw/zinc/11/07/77/939110777.db2.gz KUAZZBGTDSIHRK-NHCUHLMSSA-N 2 1 352.526 3.763 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)cc1 ZINC000658341794 939118343 /nfs/dbraw/zinc/11/83/43/939118343.db2.gz ALJTZKBJTHGOAT-INIZCTEOSA-N 2 1 354.498 3.657 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](CC4CC4)CC2)C3)cc1 ZINC000658355671 939125056 /nfs/dbraw/zinc/12/50/56/939125056.db2.gz KIHZNRINPXCQDA-BKFWDETESA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](CC4CC4)CC2)C3)cc1 ZINC000658355671 939125058 /nfs/dbraw/zinc/12/50/58/939125058.db2.gz KIHZNRINPXCQDA-BKFWDETESA-N 2 1 367.581 3.894 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000150830496 939944224 /nfs/dbraw/zinc/94/42/24/939944224.db2.gz QSEBEMHNODLFDK-UHFFFAOYSA-N 2 1 365.403 3.667 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220809 940032159 /nfs/dbraw/zinc/03/21/59/940032159.db2.gz FSBTWFRJDWXLLR-HDICACEKSA-N 2 1 367.578 3.734 20 0 FHADMP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000413837907 940170712 /nfs/dbraw/zinc/17/07/12/940170712.db2.gz RWKSXBLHKDEZSJ-LJQANCHMSA-N 2 1 369.553 3.619 20 0 FHADMP Brc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000309665708 940305411 /nfs/dbraw/zinc/30/54/11/940305411.db2.gz PGIVICQMQNHTNN-KRWDZBQOSA-N 2 1 374.326 3.846 20 0 FHADMP Brc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309665708 940305416 /nfs/dbraw/zinc/30/54/16/940305416.db2.gz PGIVICQMQNHTNN-KRWDZBQOSA-N 2 1 374.326 3.846 20 0 FHADMP CN(CC[N@@H+](C)Cc1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000515093434 940456069 /nfs/dbraw/zinc/45/60/69/940456069.db2.gz LERQKNZDTNCOBA-UHFFFAOYSA-N 2 1 351.538 3.811 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054387 940462283 /nfs/dbraw/zinc/46/22/83/940462283.db2.gz BLGUJSFYZBFBSU-CTNGQTDRSA-N 2 1 363.977 3.983 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000414056788 940464860 /nfs/dbraw/zinc/46/48/60/940464860.db2.gz DTJRNUXMVMTUCM-SFHVURJKSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749836 940467208 /nfs/dbraw/zinc/46/72/08/940467208.db2.gz FAJKPYGWXNBFJK-ZVDOUQERSA-N 2 1 363.590 3.658 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749836 940467211 /nfs/dbraw/zinc/46/72/11/940467211.db2.gz FAJKPYGWXNBFJK-ZVDOUQERSA-N 2 1 363.590 3.658 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749836 940467213 /nfs/dbraw/zinc/46/72/13/940467213.db2.gz FAJKPYGWXNBFJK-ZVDOUQERSA-N 2 1 363.590 3.658 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000414121951 940618157 /nfs/dbraw/zinc/61/81/57/940618157.db2.gz NPTLBGJIDRVHQZ-KNBMTAEXSA-N 2 1 359.539 3.755 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000414121951 940618159 /nfs/dbraw/zinc/61/81/59/940618159.db2.gz NPTLBGJIDRVHQZ-KNBMTAEXSA-N 2 1 359.539 3.755 20 0 FHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000414173062 940709275 /nfs/dbraw/zinc/70/92/75/940709275.db2.gz FKCXKVNKZWLMMS-AHRSYUTCSA-N 2 1 350.934 3.752 20 0 FHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000414174673 940711845 /nfs/dbraw/zinc/71/18/45/940711845.db2.gz GSHVLWKSKZULMU-DENIHFKCSA-N 2 1 353.510 3.696 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000299362874 945342263 /nfs/dbraw/zinc/34/22/63/945342263.db2.gz KKVYIBGJMAGIED-INIZCTEOSA-N 2 1 357.502 3.517 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1 ZINC000892571931 940806129 /nfs/dbraw/zinc/80/61/29/940806129.db2.gz RYIMSUHXPICURF-QGZVFWFLSA-N 2 1 352.526 3.962 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3C3CC3)cc2)C1 ZINC000892574457 940816855 /nfs/dbraw/zinc/81/68/55/940816855.db2.gz KFPZFSAUNXXRGL-QGZVFWFLSA-N 2 1 352.526 3.819 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000414301050 940916607 /nfs/dbraw/zinc/91/66/07/940916607.db2.gz VLDXGJCHZQMILX-PIPMEXSNSA-N 2 1 356.485 3.544 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000414301050 940916609 /nfs/dbraw/zinc/91/66/09/940916609.db2.gz VLDXGJCHZQMILX-PIPMEXSNSA-N 2 1 356.485 3.544 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662699 945367107 /nfs/dbraw/zinc/36/71/07/945367107.db2.gz LNOVMPIGDMQPAR-QFIPXVFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662699 945367121 /nfs/dbraw/zinc/36/71/21/945367121.db2.gz LNOVMPIGDMQPAR-QFIPXVFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662699 945367132 /nfs/dbraw/zinc/36/71/32/945367132.db2.gz LNOVMPIGDMQPAR-QFIPXVFZSA-N 2 1 354.542 3.933 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000647543622 941065513 /nfs/dbraw/zinc/06/55/13/941065513.db2.gz QIUUFMDZHKHCJU-OALUTQOASA-N 2 1 352.526 3.607 20 0 FHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000377300057 941128406 /nfs/dbraw/zinc/12/84/06/941128406.db2.gz SSCLILHSACHHOP-KSZLIROESA-N 2 1 356.432 3.598 20 0 FHADMP C[NH2+][C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1Cl ZINC000659291733 941150895 /nfs/dbraw/zinc/15/08/95/941150895.db2.gz MGPUYAHVULPTKN-APPDUMDISA-N 2 1 366.292 3.590 20 0 FHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000589209756 941241613 /nfs/dbraw/zinc/24/16/13/941241613.db2.gz WIDOMSYFTMRTTI-RBUKOAKNSA-N 2 1 374.573 3.591 20 0 FHADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000589209756 941241616 /nfs/dbraw/zinc/24/16/16/941241616.db2.gz WIDOMSYFTMRTTI-RBUKOAKNSA-N 2 1 374.573 3.591 20 0 FHADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000589209756 941241619 /nfs/dbraw/zinc/24/16/19/941241619.db2.gz WIDOMSYFTMRTTI-RBUKOAKNSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121021 941255445 /nfs/dbraw/zinc/25/54/45/941255445.db2.gz LTHDDHGSBGDLQD-ZFWWWQNUSA-N 2 1 357.311 3.841 20 0 FHADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000376595110 941285244 /nfs/dbraw/zinc/28/52/44/941285244.db2.gz KOUSCVNUAYIZCS-KKXNLOMOSA-N 2 1 368.525 3.667 20 0 FHADMP O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498791 941314817 /nfs/dbraw/zinc/31/48/17/941314817.db2.gz LGKZMQKDUOJQHR-FXAWDEMLSA-N 2 1 360.448 3.500 20 0 FHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498791 941314822 /nfs/dbraw/zinc/31/48/22/941314822.db2.gz LGKZMQKDUOJQHR-FXAWDEMLSA-N 2 1 360.448 3.500 20 0 FHADMP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000311683115 941360194 /nfs/dbraw/zinc/36/01/94/941360194.db2.gz JBFMHUDZFQHVCL-IBGZPJMESA-N 2 1 365.562 3.676 20 0 FHADMP C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376639036 941370375 /nfs/dbraw/zinc/37/03/75/941370375.db2.gz ZOHCZWPHHIAFSN-JPYJTQIMSA-N 2 1 361.533 3.714 20 0 FHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000580232938 941413617 /nfs/dbraw/zinc/41/36/17/941413617.db2.gz DSQQRGQLEUACHY-MOPGFXCFSA-N 2 1 361.549 3.543 20 0 FHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000236645417 941548587 /nfs/dbraw/zinc/54/85/87/941548587.db2.gz RRPWWXVZLRKGGM-UHFFFAOYSA-N 2 1 369.303 3.530 20 0 FHADMP Fc1ccc(-c2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)s2)cc1 ZINC000415058502 941570380 /nfs/dbraw/zinc/57/03/80/941570380.db2.gz TTWBZCZCIJXUQP-UHFFFAOYSA-N 2 1 373.541 3.860 20 0 FHADMP [NH3+]CCC[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccccc1 ZINC000415058128 941570527 /nfs/dbraw/zinc/57/05/27/941570527.db2.gz SOMJOKDBKYLMTP-LJQANCHMSA-N 2 1 373.863 3.630 20 0 FHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059534 941570869 /nfs/dbraw/zinc/57/08/69/941570869.db2.gz XCXLVRJUPKTAIZ-CVEARBPZSA-N 2 1 354.441 3.651 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415060223 941571743 /nfs/dbraw/zinc/57/17/43/941571743.db2.gz YMWIQZSWZFUEFK-KNQAVFIVSA-N 2 1 351.494 3.625 20 0 FHADMP O=C(Nc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1)c1ccccc1Cl ZINC000415065089 941577645 /nfs/dbraw/zinc/57/76/45/941577645.db2.gz FGEFCPYZNZWQJJ-UHFFFAOYSA-N 2 1 357.885 3.824 20 0 FHADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415073981 941589339 /nfs/dbraw/zinc/58/93/39/941589339.db2.gz BPSOBAQWDPJYFV-GWCFXTLKSA-N 2 1 363.246 3.671 20 0 FHADMP COc1cccc(C([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c2cccc(OC)c2)c1 ZINC000415090954 941601740 /nfs/dbraw/zinc/60/17/40/941601740.db2.gz ZYKFBHBUVFGNGW-APWZRJJASA-N 2 1 354.494 3.913 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513162401 941701802 /nfs/dbraw/zinc/70/18/02/941701802.db2.gz YASJZHZZAUAUEI-JGUMPVPUSA-N 2 1 374.569 3.589 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513162401 941701804 /nfs/dbraw/zinc/70/18/04/941701804.db2.gz YASJZHZZAUAUEI-JGUMPVPUSA-N 2 1 374.569 3.589 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513162401 941701806 /nfs/dbraw/zinc/70/18/06/941701806.db2.gz YASJZHZZAUAUEI-JGUMPVPUSA-N 2 1 374.569 3.589 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000377503312 941769512 /nfs/dbraw/zinc/76/95/12/941769512.db2.gz BWQTVHQGAGEVAX-MNIJEXPFSA-N 2 1 366.509 3.645 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000377503312 941769514 /nfs/dbraw/zinc/76/95/14/941769514.db2.gz BWQTVHQGAGEVAX-MNIJEXPFSA-N 2 1 366.509 3.645 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000377503312 941769516 /nfs/dbraw/zinc/76/95/16/941769516.db2.gz BWQTVHQGAGEVAX-MNIJEXPFSA-N 2 1 366.509 3.645 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000066795624 941856475 /nfs/dbraw/zinc/85/64/75/941856475.db2.gz UJFXZZIUIYZPRB-OAQYLSRUSA-N 2 1 351.494 3.501 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000066795624 941856479 /nfs/dbraw/zinc/85/64/79/941856479.db2.gz UJFXZZIUIYZPRB-OAQYLSRUSA-N 2 1 351.494 3.501 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)[C@@H]1c1cccs1 ZINC000893019456 941894115 /nfs/dbraw/zinc/89/41/15/941894115.db2.gz KTPNCAVBXNFAOW-OCVGTWLNSA-N 2 1 357.361 3.894 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)[C@@H]1c1cccs1 ZINC000893019456 941894118 /nfs/dbraw/zinc/89/41/18/941894118.db2.gz KTPNCAVBXNFAOW-OCVGTWLNSA-N 2 1 357.361 3.894 20 0 FHADMP Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644680707 941899155 /nfs/dbraw/zinc/89/91/55/941899155.db2.gz ICICMYAYRMHQPX-NRFANRHFSA-N 2 1 353.510 3.500 20 0 FHADMP Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644680707 941899158 /nfs/dbraw/zinc/89/91/58/941899158.db2.gz ICICMYAYRMHQPX-NRFANRHFSA-N 2 1 353.510 3.500 20 0 FHADMP Cn1cc(-c2ccc(C[N@@H+](C)C3CCN(c4cc[nH+]cc4)CC3)s2)cn1 ZINC000377690279 941904704 /nfs/dbraw/zinc/90/47/04/941904704.db2.gz BWAHYYSEAJFWST-UHFFFAOYSA-N 2 1 367.522 3.644 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000377693945 941906878 /nfs/dbraw/zinc/90/68/78/941906878.db2.gz DMXIOGXRXVTBOV-KNXBSLHKSA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693945 941906879 /nfs/dbraw/zinc/90/68/79/941906879.db2.gz DMXIOGXRXVTBOV-KNXBSLHKSA-N 2 1 366.509 3.717 20 0 FHADMP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377693945 941906882 /nfs/dbraw/zinc/90/68/82/941906882.db2.gz DMXIOGXRXVTBOV-KNXBSLHKSA-N 2 1 366.509 3.717 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000467196529 941912014 /nfs/dbraw/zinc/91/20/14/941912014.db2.gz KWHCBROALXJKQI-OAQYLSRUSA-N 2 1 366.590 3.939 20 0 FHADMP CCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000513454852 941932378 /nfs/dbraw/zinc/93/23/78/941932378.db2.gz ILSWPLQZIUZRKZ-JOCHJYFZSA-N 2 1 373.585 3.998 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000563038690 941932775 /nfs/dbraw/zinc/93/27/75/941932775.db2.gz NAUXVMWMAJMLNR-GOSISDBHSA-N 2 1 373.500 3.818 20 0 FHADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991129 941938817 /nfs/dbraw/zinc/93/88/17/941938817.db2.gz PZCLUCMDTAMLSS-DENIHFKCSA-N 2 1 356.485 3.751 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377759605 941966169 /nfs/dbraw/zinc/96/61/69/941966169.db2.gz HLWOLCYACFTVAY-IRLDBZIGSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377759605 941966170 /nfs/dbraw/zinc/96/61/70/941966170.db2.gz HLWOLCYACFTVAY-IRLDBZIGSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377759605 941966171 /nfs/dbraw/zinc/96/61/71/941966171.db2.gz HLWOLCYACFTVAY-IRLDBZIGSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377759607 941966583 /nfs/dbraw/zinc/96/65/83/941966583.db2.gz HLWOLCYACFTVAY-UNMCSNQZSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377759607 941966586 /nfs/dbraw/zinc/96/65/86/941966586.db2.gz HLWOLCYACFTVAY-UNMCSNQZSA-N 2 1 373.500 3.894 20 0 FHADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377759607 941966603 /nfs/dbraw/zinc/96/66/03/941966603.db2.gz HLWOLCYACFTVAY-UNMCSNQZSA-N 2 1 373.500 3.894 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@H+]1Cc1ccccc1 ZINC000513502464 941974337 /nfs/dbraw/zinc/97/43/37/941974337.db2.gz ZYZYHUDIJWSVJN-MJGOQNOKSA-N 2 1 352.478 3.806 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([S@](C)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513512670 941983789 /nfs/dbraw/zinc/98/37/89/941983789.db2.gz PHWXXSDHRPVNGO-JDITYXQVSA-N 2 1 370.562 3.814 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513545352 942005333 /nfs/dbraw/zinc/00/53/33/942005333.db2.gz PVBQHVWRMGQNQD-NQIIRXRSSA-N 2 1 366.505 3.848 20 0 FHADMP CN(Cc1ccccc1OCC1CC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434009139 942037212 /nfs/dbraw/zinc/03/72/12/942037212.db2.gz VKJNSUSZYGPJGI-GMAHTHKFSA-N 2 1 365.521 3.995 20 0 FHADMP Cn1nc(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000377859691 942037918 /nfs/dbraw/zinc/03/79/18/942037918.db2.gz JFLRRMWDDREWHJ-HNNXBMFYSA-N 2 1 369.900 3.631 20 0 FHADMP Cn1nc(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000377859691 942037919 /nfs/dbraw/zinc/03/79/19/942037919.db2.gz JFLRRMWDDREWHJ-HNNXBMFYSA-N 2 1 369.900 3.631 20 0 FHADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513666249 942064569 /nfs/dbraw/zinc/06/45/69/942064569.db2.gz KIEQPVNQNBRHBU-BHDDXSALSA-N 2 1 352.526 3.576 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000513661699 942070814 /nfs/dbraw/zinc/07/08/14/942070814.db2.gz VKFBBZHAUNMFOL-RXVVDRJESA-N 2 1 371.569 3.911 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000415904574 942132126 /nfs/dbraw/zinc/13/21/26/942132126.db2.gz SBZHYYRZJCPSBA-UHFFFAOYSA-N 2 1 354.498 3.568 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415905901 942134080 /nfs/dbraw/zinc/13/40/80/942134080.db2.gz JDBYDUSHAWTVHZ-LAUBAEHRSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415908229 942135805 /nfs/dbraw/zinc/13/58/05/942135805.db2.gz PFPOSFCLEYORNQ-SFHVURJKSA-N 2 1 368.525 3.828 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000415916582 942142016 /nfs/dbraw/zinc/14/20/16/942142016.db2.gz HOGKEFBBWPXGMQ-IEBWSBKVSA-N 2 1 358.530 3.524 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415910982 942144668 /nfs/dbraw/zinc/14/46/68/942144668.db2.gz IRNANLLHXUXNHX-QZTJIDSGSA-N 2 1 366.509 3.533 20 0 FHADMP Cc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000378005772 942149331 /nfs/dbraw/zinc/14/93/31/942149331.db2.gz ORRLXBVRSJPHQM-UHFFFAOYSA-N 2 1 372.557 3.655 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000415927679 942163776 /nfs/dbraw/zinc/16/37/76/942163776.db2.gz DMMPQGUOPJNWSR-PXNSSMCTSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000415927678 942164013 /nfs/dbraw/zinc/16/40/13/942164013.db2.gz DMMPQGUOPJNWSR-FXAWDEMLSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415945952 942178967 /nfs/dbraw/zinc/17/89/67/942178967.db2.gz SGDNNDVQFAWGQU-PXNSSMCTSA-N 2 1 366.509 3.753 20 0 FHADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000271216256 942188794 /nfs/dbraw/zinc/18/87/94/942188794.db2.gz LWYJPNGHBUARFV-UHFFFAOYSA-N 2 1 372.509 3.808 20 0 FHADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697676 942204433 /nfs/dbraw/zinc/20/44/33/942204433.db2.gz QNEGVVZQRGFQNF-CBPXPLCBSA-N 2 1 364.537 3.547 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000280705096 942236195 /nfs/dbraw/zinc/23/61/95/942236195.db2.gz AVQCNCSWTDWMHK-RGELYXPASA-N 2 1 350.572 3.566 20 0 FHADMP Cc1cnc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)s1 ZINC000420920156 942254275 /nfs/dbraw/zinc/25/42/75/942254275.db2.gz JEMULLSKMKBVCQ-UHFFFAOYSA-N 2 1 371.550 3.663 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)cc1)C1CC1 ZINC000501051323 942270076 /nfs/dbraw/zinc/27/00/76/942270076.db2.gz KKSSEMGIUGQSGR-OAQYLSRUSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1)C1CC1 ZINC000501051323 942270082 /nfs/dbraw/zinc/27/00/82/942270082.db2.gz KKSSEMGIUGQSGR-OAQYLSRUSA-N 2 1 357.542 3.521 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1)C1CC1 ZINC000501051323 942270088 /nfs/dbraw/zinc/27/00/88/942270088.db2.gz KKSSEMGIUGQSGR-OAQYLSRUSA-N 2 1 357.542 3.521 20 0 FHADMP CC(C)(COCc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420967066 942278835 /nfs/dbraw/zinc/27/88/35/942278835.db2.gz SJKQVGNNEQYPST-UHFFFAOYSA-N 2 1 368.521 3.604 20 0 FHADMP C[N@@H+](CCC(=O)c1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056988 942281078 /nfs/dbraw/zinc/28/10/78/942281078.db2.gz XZKQHMXUTWWFGA-UHFFFAOYSA-N 2 1 355.457 3.642 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1)C(C)C ZINC000416108078 942354579 /nfs/dbraw/zinc/35/45/79/942354579.db2.gz PISWGKASYOVCEW-UHFFFAOYSA-N 2 1 359.558 3.863 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183668 942370287 /nfs/dbraw/zinc/37/02/87/942370287.db2.gz JKJCOJMRSZMWMZ-HUYLIWGRSA-N 2 1 366.933 3.507 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134955 942379838 /nfs/dbraw/zinc/37/98/38/942379838.db2.gz QBFWOCRZPKSZPW-QIJUGHKUSA-N 2 1 365.521 3.631 20 0 FHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000421363638 942515002 /nfs/dbraw/zinc/51/50/02/942515002.db2.gz QJIJHIRMTLQXMG-VQIMIIECSA-N 2 1 370.497 3.518 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000421372687 942524207 /nfs/dbraw/zinc/52/42/07/942524207.db2.gz LIFQFVKQKNAETE-IBGZPJMESA-N 2 1 361.549 3.639 20 0 FHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513919921 942595257 /nfs/dbraw/zinc/59/52/57/942595257.db2.gz HAYZTQMWHPEQOR-HKUYNNGSSA-N 2 1 359.558 3.570 20 0 FHADMP Cc1occc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000414448903 942607598 /nfs/dbraw/zinc/60/75/98/942607598.db2.gz ABJONXTUOAADRR-NRFANRHFSA-N 2 1 354.494 3.606 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1 ZINC000420299276 942609919 /nfs/dbraw/zinc/60/99/19/942609919.db2.gz IPRXZKJXRZACDX-SFGWALBWSA-N 2 1 354.494 3.508 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1 ZINC000420299276 942609924 /nfs/dbraw/zinc/60/99/24/942609924.db2.gz IPRXZKJXRZACDX-SFGWALBWSA-N 2 1 354.494 3.508 20 0 FHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000420300388 942610281 /nfs/dbraw/zinc/61/02/81/942610281.db2.gz KGABTBOLOBBDSH-PMOQBDJRSA-N 2 1 363.505 3.626 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000420304770 942612094 /nfs/dbraw/zinc/61/20/94/942612094.db2.gz YLWVJRWBDSUPBG-OAHLLOKOSA-N 2 1 351.450 3.545 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000420304770 942612098 /nfs/dbraw/zinc/61/20/98/942612098.db2.gz YLWVJRWBDSUPBG-OAHLLOKOSA-N 2 1 351.450 3.545 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305549 942612210 /nfs/dbraw/zinc/61/22/10/942612210.db2.gz KLYMOPMCKDOHTK-GXTWGEPZSA-N 2 1 360.914 3.885 20 0 FHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305553 942612320 /nfs/dbraw/zinc/61/23/20/942612320.db2.gz KLYMOPMCKDOHTK-JSGCOSHPSA-N 2 1 360.914 3.885 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420308232 942613915 /nfs/dbraw/zinc/61/39/15/942613915.db2.gz NGUUKIRXRKQBJD-NRFANRHFSA-N 2 1 363.505 3.750 20 0 FHADMP CCc1cccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420310071 942614917 /nfs/dbraw/zinc/61/49/17/942614917.db2.gz LZNOLLSRPKGDSV-OAQYLSRUSA-N 2 1 353.510 3.667 20 0 FHADMP CCc1cccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420310071 942614927 /nfs/dbraw/zinc/61/49/27/942614927.db2.gz LZNOLLSRPKGDSV-OAQYLSRUSA-N 2 1 353.510 3.667 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420319507 942620416 /nfs/dbraw/zinc/62/04/16/942620416.db2.gz AIGLDFZKTPFPDQ-NHCUHLMSSA-N 2 1 363.505 3.760 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321212 942621322 /nfs/dbraw/zinc/62/13/22/942621322.db2.gz QXUUHBKVUWJTMW-MSOLQXFVSA-N 2 1 359.539 3.690 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338301 942622955 /nfs/dbraw/zinc/62/29/55/942622955.db2.gz KPUHHMMAXAUJBZ-NHCUHLMSSA-N 2 1 363.505 3.760 20 0 FHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327928 942630302 /nfs/dbraw/zinc/63/03/02/942630302.db2.gz LSWXBKUKPFMAQX-VNQPRFMTSA-N 2 1 360.889 3.773 20 0 FHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334446 942632319 /nfs/dbraw/zinc/63/23/19/942632319.db2.gz GJXPZVDUKOVJLY-MOPGFXCFSA-N 2 1 354.498 3.682 20 0 FHADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365391 942640685 /nfs/dbraw/zinc/64/06/85/942640685.db2.gz SAKQIQXBJJJHOY-CRAIPNDOSA-N 2 1 359.539 3.766 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420378352 942646409 /nfs/dbraw/zinc/64/64/09/942646409.db2.gz QISZCEATGYXVHV-QHCPKHFHSA-N 2 1 363.505 3.758 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)cc1 ZINC000434424964 942652439 /nfs/dbraw/zinc/65/24/39/942652439.db2.gz LXFKJAUFUGSFRY-NRFANRHFSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434424964 942652444 /nfs/dbraw/zinc/65/24/44/942652444.db2.gz LXFKJAUFUGSFRY-NRFANRHFSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434424964 942652449 /nfs/dbraw/zinc/65/24/49/942652449.db2.gz LXFKJAUFUGSFRY-NRFANRHFSA-N 2 1 357.542 3.665 20 0 FHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000420396425 942654339 /nfs/dbraw/zinc/65/43/39/942654339.db2.gz FEBRWYSXHMQWIH-NXEZZACHSA-N 2 1 354.317 3.879 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405659 942732170 /nfs/dbraw/zinc/73/21/70/942732170.db2.gz SAVJAEMZWFJMJR-HUYLIWGRSA-N 2 1 366.933 3.507 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000514089998 942740630 /nfs/dbraw/zinc/74/06/30/942740630.db2.gz SGLQULBSAJBQEG-HKBOAZHASA-N 2 1 351.494 3.623 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000514089999 942740823 /nfs/dbraw/zinc/74/08/23/942740823.db2.gz SGLQULBSAJBQEG-PCCBWWKXSA-N 2 1 351.494 3.623 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000514094547 942744337 /nfs/dbraw/zinc/74/43/37/942744337.db2.gz KRRHJTRTRGQRRZ-CTNGQTDRSA-N 2 1 352.563 3.896 20 0 FHADMP C[C@H](c1ccc2ccccc2c1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000514111536 942753081 /nfs/dbraw/zinc/75/30/81/942753081.db2.gz RJRPFDSATOUILI-GOSISDBHSA-N 2 1 365.521 3.529 20 0 FHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000514111536 942753084 /nfs/dbraw/zinc/75/30/84/942753084.db2.gz RJRPFDSATOUILI-GOSISDBHSA-N 2 1 365.521 3.529 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000502862843 942810854 /nfs/dbraw/zinc/81/08/54/942810854.db2.gz OKCBZRWMSJDXRU-IBGZPJMESA-N 2 1 366.594 3.595 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000421836010 942839380 /nfs/dbraw/zinc/83/93/80/942839380.db2.gz GFSQLEGECHHCOS-KXBFYZLASA-N 2 1 374.912 3.766 20 0 FHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000421850396 942846628 /nfs/dbraw/zinc/84/66/28/942846628.db2.gz DJQPSFOGOPCQMU-CQSZACIVSA-N 2 1 363.889 3.535 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261921307 942954018 /nfs/dbraw/zinc/95/40/18/942954018.db2.gz BRECSKIYZSHHRA-UHFFFAOYSA-N 2 1 372.944 3.777 20 0 FHADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514459 942955472 /nfs/dbraw/zinc/95/54/72/942955472.db2.gz WMGFPJFHXBUQQS-KRWDZBQOSA-N 2 1 370.447 3.726 20 0 FHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514459 942955481 /nfs/dbraw/zinc/95/54/81/942955481.db2.gz WMGFPJFHXBUQQS-KRWDZBQOSA-N 2 1 370.447 3.726 20 0 FHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514459 942955488 /nfs/dbraw/zinc/95/54/88/942955488.db2.gz WMGFPJFHXBUQQS-KRWDZBQOSA-N 2 1 370.447 3.726 20 0 FHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514459 942955498 /nfs/dbraw/zinc/95/54/98/942955498.db2.gz WMGFPJFHXBUQQS-KRWDZBQOSA-N 2 1 370.447 3.726 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CNCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000414854282 942969220 /nfs/dbraw/zinc/96/92/20/942969220.db2.gz ZDFGROYVERGOMV-GOSISDBHSA-N 2 1 372.582 3.823 20 0 FHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000396348396 943034910 /nfs/dbraw/zinc/03/49/10/943034910.db2.gz FEJLLRDXCZSYQQ-VIQWUECVSA-N 2 1 370.459 3.724 20 0 FHADMP CN(c1ccccc1C[N@@H+](C)CCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000434984114 943074157 /nfs/dbraw/zinc/07/41/57/943074157.db2.gz YSDAWCKWBCYIAM-UHFFFAOYSA-N 2 1 367.537 3.728 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272171162 943105882 /nfs/dbraw/zinc/10/58/82/943105882.db2.gz HZODPMCEDYKUHQ-HQRMLTQVSA-N 2 1 371.550 3.995 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272171162 943105887 /nfs/dbraw/zinc/10/58/87/943105887.db2.gz HZODPMCEDYKUHQ-HQRMLTQVSA-N 2 1 371.550 3.995 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656483 943117330 /nfs/dbraw/zinc/11/73/30/943117330.db2.gz FVTAZRCOBPBSJB-MAUKXSAKSA-N 2 1 358.457 3.582 20 0 FHADMP COc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1OC ZINC000435062333 943125744 /nfs/dbraw/zinc/12/57/44/943125744.db2.gz YYNLLLGEJSSUIO-UHFFFAOYSA-N 2 1 355.482 3.616 20 0 FHADMP c1ncn(-c2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)n1 ZINC000272444664 943156239 /nfs/dbraw/zinc/15/62/39/943156239.db2.gz URQDFIGUDDCGNI-DKUWSORSSA-N 2 1 373.504 3.553 20 0 FHADMP Cc1noc(C2CCC([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536229 943173226 /nfs/dbraw/zinc/17/32/26/943173226.db2.gz BEOYDFDXIOMZRD-FZQMEJGWSA-N 2 1 368.525 3.904 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000422638931 943206652 /nfs/dbraw/zinc/20/66/52/943206652.db2.gz RUWDMSMEGKDSJZ-FUHIMQAGSA-N 2 1 351.494 3.744 20 0 FHADMP c1[nH+]cn2ccc(-c3noc([C@@H]4CCC[N@H+](Cc5ccccc5)C4)n3)cc12 ZINC000514710295 943238535 /nfs/dbraw/zinc/23/85/35/943238535.db2.gz NPOABXVGMCCFPT-GOSISDBHSA-N 2 1 359.433 3.764 20 0 FHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272948953 943249403 /nfs/dbraw/zinc/24/94/03/943249403.db2.gz UKWKPNMNEBHDPV-NQIIRXRSSA-N 2 1 369.553 3.665 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)c1 ZINC000422733586 943251048 /nfs/dbraw/zinc/25/10/48/943251048.db2.gz BKBGFEXXSCSDDR-XZOQPEGZSA-N 2 1 367.537 3.730 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000416968045 943255623 /nfs/dbraw/zinc/25/56/23/943255623.db2.gz IERWXIHTJWVRSM-QGZVFWFLSA-N 2 1 368.525 3.546 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422718315 943256541 /nfs/dbraw/zinc/25/65/41/943256541.db2.gz WYFRUGLRVUJNEH-UXHICEINSA-N 2 1 355.457 3.828 20 0 FHADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757802 943262157 /nfs/dbraw/zinc/26/21/57/943262157.db2.gz MZBYGCNZSDKACO-ACESQOTJSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754803 943273881 /nfs/dbraw/zinc/27/38/81/943273881.db2.gz GERFYSQVVPJWHB-QGPMSJSTSA-N 3 1 357.464 3.805 20 0 FHADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754803 943273885 /nfs/dbraw/zinc/27/38/85/943273885.db2.gz GERFYSQVVPJWHB-QGPMSJSTSA-N 3 1 357.464 3.805 20 0 FHADMP Cc1ccc(NC(=O)C2(C[NH2+][C@H](C)c3c[nH+]ccc3N)CCCC2)cc1C ZINC000422840603 943302037 /nfs/dbraw/zinc/30/20/37/943302037.db2.gz UBUUJGJJDVXRMC-QGZVFWFLSA-N 2 1 366.509 3.961 20 0 FHADMP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1c[nH+]ccc1N ZINC000422904597 943326310 /nfs/dbraw/zinc/32/63/10/943326310.db2.gz HBCDWQBQGRNBSO-BBRMVZONSA-N 2 1 362.880 3.602 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1c1cccs1 ZINC000641728677 943346090 /nfs/dbraw/zinc/34/60/90/943346090.db2.gz FOKLIBHOPTUKRZ-KDOFPFPSSA-N 2 1 356.495 3.503 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1c1cccs1 ZINC000641728677 943346095 /nfs/dbraw/zinc/34/60/95/943346095.db2.gz FOKLIBHOPTUKRZ-KDOFPFPSSA-N 2 1 356.495 3.503 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCCC1 ZINC000414706656 943348950 /nfs/dbraw/zinc/34/89/50/943348950.db2.gz GUJZMUOEVQBLPE-ICSRJNTNSA-N 2 1 370.541 3.667 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435373284 943355270 /nfs/dbraw/zinc/35/52/70/943355270.db2.gz DFICFYMXMRMULY-JJTKIYQPSA-N 2 1 358.917 3.857 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435373284 943355274 /nfs/dbraw/zinc/35/52/74/943355274.db2.gz DFICFYMXMRMULY-JJTKIYQPSA-N 2 1 358.917 3.857 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435375346 943356856 /nfs/dbraw/zinc/35/68/56/943356856.db2.gz MHDHPGKPYQUFLL-CRAIPNDOSA-N 2 1 352.507 3.770 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000435375346 943356859 /nfs/dbraw/zinc/35/68/59/943356859.db2.gz MHDHPGKPYQUFLL-CRAIPNDOSA-N 2 1 352.507 3.770 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371586 943364497 /nfs/dbraw/zinc/36/44/97/943364497.db2.gz NSCAAHZVWODVSJ-IEBWSBKVSA-N 2 1 352.526 3.784 20 0 FHADMP Cc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000435377215 943366121 /nfs/dbraw/zinc/36/61/21/943366121.db2.gz ZFTTZJANLUUNRM-FQEVSTJZSA-N 2 1 371.550 3.995 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435377063 943366682 /nfs/dbraw/zinc/36/66/82/943366682.db2.gz XRUACZROAVRYEV-LJQANCHMSA-N 2 1 353.510 3.709 20 0 FHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(F)(F)F ZINC000435379804 943367194 /nfs/dbraw/zinc/36/71/94/943367194.db2.gz NODPTOMGNRRAOT-XYPWUTKMSA-N 2 1 372.431 3.741 20 0 FHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(F)(F)F ZINC000435379804 943367197 /nfs/dbraw/zinc/36/71/97/943367197.db2.gz NODPTOMGNRRAOT-XYPWUTKMSA-N 2 1 372.431 3.741 20 0 FHADMP CCC[N@@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)C1CC[NH2+]CC1 ZINC000435378846 943369056 /nfs/dbraw/zinc/36/90/56/943369056.db2.gz KEPMICNMSKWBJU-UHFFFAOYSA-N 2 1 369.509 3.633 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382895 943371733 /nfs/dbraw/zinc/37/17/33/943371733.db2.gz FOUYZOSZNFKGJF-YOEHRIQHSA-N 2 1 366.431 3.509 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435382895 943371739 /nfs/dbraw/zinc/37/17/39/943371739.db2.gz FOUYZOSZNFKGJF-YOEHRIQHSA-N 2 1 366.431 3.509 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435385502 943372939 /nfs/dbraw/zinc/37/29/39/943372939.db2.gz RZEFUHPWAIHHSR-INIZCTEOSA-N 2 1 352.507 3.642 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435385502 943372950 /nfs/dbraw/zinc/37/29/50/943372950.db2.gz RZEFUHPWAIHHSR-INIZCTEOSA-N 2 1 352.507 3.642 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414714535 943377696 /nfs/dbraw/zinc/37/76/96/943377696.db2.gz QBMCWSAXRDLSLA-QGZVFWFLSA-N 2 1 358.530 3.572 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435394588 943380319 /nfs/dbraw/zinc/38/03/19/943380319.db2.gz OCHCXHCMZPQXTL-KRWDZBQOSA-N 2 1 370.541 3.745 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435394588 943380325 /nfs/dbraw/zinc/38/03/25/943380325.db2.gz OCHCXHCMZPQXTL-KRWDZBQOSA-N 2 1 370.541 3.745 20 0 FHADMP COc1ccc([C@H](C)C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435394159 943380547 /nfs/dbraw/zinc/38/05/47/943380547.db2.gz MOCKYLLLRYTNKV-WIYYLYMNSA-N 2 1 353.510 3.838 20 0 FHADMP Fc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)cc1Cl ZINC000423089333 943390798 /nfs/dbraw/zinc/39/07/98/943390798.db2.gz UUVDGVUIXOGUTB-PKOBYXMFSA-N 2 1 364.823 3.964 20 0 FHADMP COCc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423099167 943394106 /nfs/dbraw/zinc/39/41/06/943394106.db2.gz LRAWZZGMDUHTEL-RCCFBDPRSA-N 2 1 371.550 3.967 20 0 FHADMP CC(C)(C)n1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430979 943395558 /nfs/dbraw/zinc/39/55/58/943395558.db2.gz GJUOQULOCSYMPG-GOSISDBHSA-N 2 1 358.555 3.844 20 0 FHADMP CC(C)(C)n1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430979 943395559 /nfs/dbraw/zinc/39/55/59/943395559.db2.gz GJUOQULOCSYMPG-GOSISDBHSA-N 2 1 358.555 3.844 20 0 FHADMP CCOC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000435432186 943395907 /nfs/dbraw/zinc/39/59/07/943395907.db2.gz MBURUCRBVISADG-GOSISDBHSA-N 2 1 374.506 3.662 20 0 FHADMP CCOC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000435432186 943395913 /nfs/dbraw/zinc/39/59/13/943395913.db2.gz MBURUCRBVISADG-GOSISDBHSA-N 2 1 374.506 3.662 20 0 FHADMP CC(C)Cn1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435433918 943397679 /nfs/dbraw/zinc/39/76/79/943397679.db2.gz VHOVYYRAJMYZPB-IBGZPJMESA-N 2 1 358.555 3.745 20 0 FHADMP CC(C)Cn1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435433918 943397686 /nfs/dbraw/zinc/39/76/86/943397686.db2.gz VHOVYYRAJMYZPB-IBGZPJMESA-N 2 1 358.555 3.745 20 0 FHADMP CCOc1cccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435421344 943401979 /nfs/dbraw/zinc/40/19/79/943401979.db2.gz IXRAYKPXDZMDIV-SFHVURJKSA-N 2 1 357.523 3.686 20 0 FHADMP CCOc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435421344 943401983 /nfs/dbraw/zinc/40/19/83/943401983.db2.gz IXRAYKPXDZMDIV-SFHVURJKSA-N 2 1 357.523 3.686 20 0 FHADMP COC(=O)c1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)oc1C ZINC000435421502 943402154 /nfs/dbraw/zinc/40/21/54/943402154.db2.gz JPDGZTXCAPQECI-SFHVURJKSA-N 2 1 374.506 3.580 20 0 FHADMP COC(=O)c1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)oc1C ZINC000435421502 943402158 /nfs/dbraw/zinc/40/21/58/943402158.db2.gz JPDGZTXCAPQECI-SFHVURJKSA-N 2 1 374.506 3.580 20 0 FHADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104757 943402196 /nfs/dbraw/zinc/40/21/96/943402196.db2.gz MQAVCZREWWABFC-YTFSRNRJSA-N 2 1 371.569 3.560 20 0 FHADMP COc1ccc([C@H](C)C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435425186 943405331 /nfs/dbraw/zinc/40/53/31/943405331.db2.gz CMGIKEKUNREWGN-WBVHZDCISA-N 2 1 359.539 3.675 20 0 FHADMP Cn1ccnc1C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427375 943406778 /nfs/dbraw/zinc/40/67/78/943406778.db2.gz MPJLZIRKQJRMTH-NRFANRHFSA-N 2 1 360.505 3.718 20 0 FHADMP Cn1ccnc1C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427375 943406781 /nfs/dbraw/zinc/40/67/81/943406781.db2.gz MPJLZIRKQJRMTH-NRFANRHFSA-N 2 1 360.505 3.718 20 0 FHADMP COc1cc(C)nc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427284 943407270 /nfs/dbraw/zinc/40/72/70/943407270.db2.gz MERPECXAADWQAS-IBGZPJMESA-N 2 1 357.523 3.604 20 0 FHADMP COc1cc(C)nc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427284 943407274 /nfs/dbraw/zinc/40/72/74/943407274.db2.gz MERPECXAADWQAS-IBGZPJMESA-N 2 1 357.523 3.604 20 0 FHADMP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423136615 943415267 /nfs/dbraw/zinc/41/52/67/943415267.db2.gz VJDHWRSHKVKQKH-CBGDNZLLSA-N 2 1 372.415 3.634 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437640 943416073 /nfs/dbraw/zinc/41/60/73/943416073.db2.gz KWDIBQIEPQAHTB-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437640 943416078 /nfs/dbraw/zinc/41/60/78/943416078.db2.gz KWDIBQIEPQAHTB-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)c(Br)c1 ZINC000423184038 943420596 /nfs/dbraw/zinc/42/05/96/943420596.db2.gz HLQURBPFYZALHK-ZDUSSCGKSA-N 2 1 366.278 3.814 20 0 FHADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423240820 943456791 /nfs/dbraw/zinc/45/67/91/943456791.db2.gz XMFICJMAJMQHKL-IUCAKERBSA-N 2 1 350.098 3.600 20 0 FHADMP CCC(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+](C)C ZINC000236693374 943463797 /nfs/dbraw/zinc/46/37/97/943463797.db2.gz ZNBQSXSNTCJWLN-IPQPSQTFSA-N 2 1 367.578 3.873 20 0 FHADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)cc1C(F)(F)F ZINC000423315850 943473796 /nfs/dbraw/zinc/47/37/96/943473796.db2.gz BCFBJCPLUUMBAI-SECBINFHSA-N 2 1 351.210 4.000 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)[C@H](C)C1 ZINC000417303096 943496830 /nfs/dbraw/zinc/49/68/30/943496830.db2.gz DEQWXVGMYCAWAC-SPOLIRPYSA-N 2 1 350.572 3.967 20 0 FHADMP C[N@H+]1CCC[C@H](CNCc2c[nH]cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281445 943508045 /nfs/dbraw/zinc/50/80/45/943508045.db2.gz UUCVOCIODGNVCA-RHSMWYFYSA-N 2 1 352.404 3.601 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2NCCc3ccccc32)CC1 ZINC000423437322 943519168 /nfs/dbraw/zinc/51/91/68/943519168.db2.gz UIKFJWMVYZCXRV-IWAAJCSBSA-N 2 1 363.549 3.906 20 0 FHADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146471 943523480 /nfs/dbraw/zinc/52/34/80/943523480.db2.gz SEXDDLSVXXIMHD-YVHKJVDXSA-N 2 1 351.494 3.658 20 0 FHADMP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCS2 ZINC000423499066 943529500 /nfs/dbraw/zinc/52/95/00/943529500.db2.gz AGFKWXDISQNQTR-AFMYVXGZSA-N 2 1 359.583 3.646 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000423503198 943531107 /nfs/dbraw/zinc/53/11/07/943531107.db2.gz FSJKIOPTQYZBNG-HSBZDZAISA-N 2 1 374.331 4.000 20 0 FHADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423505666 943531654 /nfs/dbraw/zinc/53/16/54/943531654.db2.gz ORLDERHMNZHBJA-CVAIRZPRSA-N 2 1 364.505 3.942 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507253 943532302 /nfs/dbraw/zinc/53/23/02/943532302.db2.gz JLMVQXVBHHIGFL-RWWKDMOOSA-N 2 1 366.553 3.660 20 0 FHADMP Cc1c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508487 943532403 /nfs/dbraw/zinc/53/24/03/943532403.db2.gz QWNJAIJUNIVSAK-MGPUTAFESA-N 2 1 367.472 3.846 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345507 943532827 /nfs/dbraw/zinc/53/28/27/943532827.db2.gz SBNONAKCIFKJFB-XFWGSAIBSA-N 2 1 356.535 3.597 20 0 FHADMP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000504168380 943533741 /nfs/dbraw/zinc/53/37/41/943533741.db2.gz JCQXSSMPJNGDCX-NRFANRHFSA-N 2 1 351.494 3.967 20 0 FHADMP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000504168380 943533744 /nfs/dbraw/zinc/53/37/44/943533744.db2.gz JCQXSSMPJNGDCX-NRFANRHFSA-N 2 1 351.494 3.967 20 0 FHADMP Clc1ccc([C@H]2CC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000423511808 943541107 /nfs/dbraw/zinc/54/11/07/943541107.db2.gz PFARNCXMTLHEID-RCKXYERXSA-N 2 1 361.961 3.782 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c2ccccc21 ZINC000423514173 943542487 /nfs/dbraw/zinc/54/24/87/943542487.db2.gz SJBZOJRUCMSWIF-WWDZGPRUSA-N 2 1 355.501 3.846 20 0 FHADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000423516644 943542618 /nfs/dbraw/zinc/54/26/18/943542618.db2.gz AYJOCHVZWXYUBJ-AUEVNTSISA-N 2 1 374.525 3.517 20 0 FHADMP COc1ccc2cc([C@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccc2c1 ZINC000423526640 943547427 /nfs/dbraw/zinc/54/74/27/943547427.db2.gz ZURMFACMDDLMOC-YTXWROIDSA-N 2 1 367.537 3.715 20 0 FHADMP COc1cc(C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751686 943562086 /nfs/dbraw/zinc/56/20/86/943562086.db2.gz SXLIIHVCAGFMNC-DZGCQCFKSA-N 2 1 354.441 3.649 20 0 FHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000515205272 943566834 /nfs/dbraw/zinc/56/68/34/943566834.db2.gz ZLHWRBIZQHYGSK-MSOLQXFVSA-N 2 1 372.619 3.611 20 0 FHADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753027 943573755 /nfs/dbraw/zinc/57/37/55/943573755.db2.gz CXLVJBGVKPAWTB-XJKCOSOUSA-N 2 1 353.304 3.593 20 0 FHADMP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414756050 943594202 /nfs/dbraw/zinc/59/42/02/943594202.db2.gz QBIINMPUWBKEQH-ICSRJNTNSA-N 2 1 353.510 3.523 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000435769085 943600438 /nfs/dbraw/zinc/60/04/38/943600438.db2.gz UFGYMPROGNBTPQ-JOCHJYFZSA-N 2 1 352.526 3.884 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000423822067 943620142 /nfs/dbraw/zinc/62/01/42/943620142.db2.gz IITDWWYUWCCFSS-AGRHKRQWSA-N 2 1 357.885 3.535 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000423822067 943620146 /nfs/dbraw/zinc/62/01/46/943620146.db2.gz IITDWWYUWCCFSS-AGRHKRQWSA-N 2 1 357.885 3.535 20 0 FHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587525 943735594 /nfs/dbraw/zinc/73/55/94/943735594.db2.gz SMLJOFVTTLEXFG-QUCCMNQESA-N 2 1 374.573 3.666 20 0 FHADMP C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257429 943795673 /nfs/dbraw/zinc/79/56/73/943795673.db2.gz SUAIWSNOQDUFOW-YRNRMSPPSA-N 2 1 373.566 3.732 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000414904185 943800245 /nfs/dbraw/zinc/80/02/45/943800245.db2.gz NBVFGFJAZKKGDU-QFBILLFUSA-N 2 1 369.513 3.788 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1)C(C)C ZINC000424242098 943817011 /nfs/dbraw/zinc/81/70/11/943817011.db2.gz QOMWFKNEHPBKPE-SFHVURJKSA-N 2 1 357.542 3.521 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C(=O)Nc3ccccc3)cc1)CC[NH2+]CC2 ZINC000424286560 943819347 /nfs/dbraw/zinc/81/93/47/943819347.db2.gz HGEAEULTMHAGKW-SFHVURJKSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1 ZINC000414905663 943832791 /nfs/dbraw/zinc/83/27/91/943832791.db2.gz OOGYEUKKDUSDQA-GOSISDBHSA-N 2 1 357.885 3.824 20 0 FHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278653 943833083 /nfs/dbraw/zinc/83/30/83/943833083.db2.gz DSTJAXJOOCUCMG-OXJNMPFZSA-N 2 1 352.457 3.592 20 0 FHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278653 943833087 /nfs/dbraw/zinc/83/30/87/943833087.db2.gz DSTJAXJOOCUCMG-OXJNMPFZSA-N 2 1 352.457 3.592 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000424278318 943833399 /nfs/dbraw/zinc/83/33/99/943833399.db2.gz IGSCIHBITATUJB-MAUKXSAKSA-N 2 1 374.912 3.766 20 0 FHADMP CC(C)[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491095 943856691 /nfs/dbraw/zinc/85/66/91/943856691.db2.gz GQMDRHMQGZCAEE-IFMALSPDSA-N 2 1 371.569 3.620 20 0 FHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000424362439 943867135 /nfs/dbraw/zinc/86/71/35/943867135.db2.gz ABHCDQGGMCSODH-RTBURBONSA-N 2 1 357.885 3.952 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000417868653 943909791 /nfs/dbraw/zinc/90/97/91/943909791.db2.gz CTWDTGGFXFVWNK-GHTZIAJQSA-N 2 1 374.573 3.577 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000424448482 943920303 /nfs/dbraw/zinc/92/03/03/943920303.db2.gz YBTBVTVFFYNNKO-UHFFFAOYSA-N 2 1 354.498 3.616 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424429448 943924154 /nfs/dbraw/zinc/92/41/54/943924154.db2.gz XAKMPORTEJEMJU-ROUUACIJSA-N 2 1 366.509 3.580 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000424431715 943925469 /nfs/dbraw/zinc/92/54/69/943925469.db2.gz GJLYKFRNRXVKFS-QZTJIDSGSA-N 2 1 358.530 3.572 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CC12CCOCC2 ZINC000414791803 943944667 /nfs/dbraw/zinc/94/46/67/943944667.db2.gz RCQORAPUWORSQD-HNNXBMFYSA-N 2 1 360.498 3.742 20 0 FHADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414792641 943947118 /nfs/dbraw/zinc/94/71/18/943947118.db2.gz CMWWVKWOXRCBBT-SUMWQHHRSA-N 2 1 365.930 3.983 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044846 943947199 /nfs/dbraw/zinc/94/71/99/943947199.db2.gz KESLRPYMJBEPJL-QZTJIDSGSA-N 2 1 355.530 3.566 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000190270128 944006252 /nfs/dbraw/zinc/00/62/52/944006252.db2.gz ISEGCKJNIABGCR-DENIHFKCSA-N 2 1 372.553 3.905 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000190270128 944006261 /nfs/dbraw/zinc/00/62/61/944006261.db2.gz ISEGCKJNIABGCR-DENIHFKCSA-N 2 1 372.553 3.905 20 0 FHADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000190270128 944006267 /nfs/dbraw/zinc/00/62/67/944006267.db2.gz ISEGCKJNIABGCR-DENIHFKCSA-N 2 1 372.553 3.905 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000190270128 944006271 /nfs/dbraw/zinc/00/62/71/944006271.db2.gz ISEGCKJNIABGCR-DENIHFKCSA-N 2 1 372.553 3.905 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000517146053 944044277 /nfs/dbraw/zinc/04/42/77/944044277.db2.gz XENOVGVYPYWMCA-GXTWGEPZSA-N 2 1 370.337 3.600 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000517146053 944044287 /nfs/dbraw/zinc/04/42/87/944044287.db2.gz XENOVGVYPYWMCA-GXTWGEPZSA-N 2 1 370.337 3.600 20 0 FHADMP COc1ccsc1[C@H](C)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364220649 944089059 /nfs/dbraw/zinc/08/90/59/944089059.db2.gz RDHFTQUJMBLPHG-INIZCTEOSA-N 3 1 365.587 3.604 20 0 FHADMP COCCC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCCCC1 ZINC000436279243 944159468 /nfs/dbraw/zinc/15/94/68/944159468.db2.gz IMYVFYKUQOHZTA-HXUWFJFHSA-N 2 1 374.569 3.984 20 0 FHADMP COCCC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCCCC1 ZINC000436279243 944159472 /nfs/dbraw/zinc/15/94/72/944159472.db2.gz IMYVFYKUQOHZTA-HXUWFJFHSA-N 2 1 374.569 3.984 20 0 FHADMP CCCC[C@@H](CC)C[N@@H+]1CCC[C@@]2(CCC[NH+](CCC(=O)OC)C2)C1 ZINC001280153685 944168028 /nfs/dbraw/zinc/16/80/28/944168028.db2.gz MSIGAYLAGXSMNT-TZIWHRDSSA-N 2 1 352.563 3.944 20 0 FHADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CCC[NH+](CCC(=O)OC)C2)C1 ZINC001280153685 944168036 /nfs/dbraw/zinc/16/80/36/944168036.db2.gz MSIGAYLAGXSMNT-TZIWHRDSSA-N 2 1 352.563 3.944 20 0 FHADMP CCCC[C@@H](CC)C[NH+]1CCC[C@@]2(CCC[N@H+](CCC(=O)OC)C2)C1 ZINC001280153685 944168038 /nfs/dbraw/zinc/16/80/38/944168038.db2.gz MSIGAYLAGXSMNT-TZIWHRDSSA-N 2 1 352.563 3.944 20 0 FHADMP CCCC[C@@H](CC)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCC(=O)OC)C2)C1 ZINC001280153685 944168042 /nfs/dbraw/zinc/16/80/42/944168042.db2.gz MSIGAYLAGXSMNT-TZIWHRDSSA-N 2 1 352.563 3.944 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000436291895 944179117 /nfs/dbraw/zinc/17/91/17/944179117.db2.gz AUNCTZMDIHGIPU-XNTOXWQXSA-N 2 1 356.510 3.503 20 0 FHADMP Cc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)ccc1Oc1cccnc1 ZINC000414882248 944223454 /nfs/dbraw/zinc/22/34/54/944223454.db2.gz SIFHENGGDDONKK-UHFFFAOYSA-N 2 1 362.477 3.847 20 0 FHADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001167975081 944269753 /nfs/dbraw/zinc/26/97/53/944269753.db2.gz GRYOGUIPDRTYDK-NOTZXAQLSA-N 3 1 359.602 3.884 20 0 FHADMP Fc1cccc(Cn2cncc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167975164 944274317 /nfs/dbraw/zinc/27/43/17/944274317.db2.gz JTTIZBWENHBJFB-SEJPIABJSA-N 2 1 368.500 3.566 20 0 FHADMP Fc1cccc(Cn2cncc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167975164 944274324 /nfs/dbraw/zinc/27/43/24/944274324.db2.gz JTTIZBWENHBJFB-SEJPIABJSA-N 2 1 368.500 3.566 20 0 FHADMP C[C@]1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311173272 944300845 /nfs/dbraw/zinc/30/08/45/944300845.db2.gz USMIUOQJCUPNMK-RCCFBDPRSA-N 2 1 356.432 3.598 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000439091103 944329644 /nfs/dbraw/zinc/32/96/44/944329644.db2.gz YOBUMRLODZCNPE-IRXDYDNUSA-N 2 1 361.530 3.959 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481997 944331618 /nfs/dbraw/zinc/33/16/18/944331618.db2.gz RWQVHVCHBYGMGE-CTNGQTDRSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481997 944331624 /nfs/dbraw/zinc/33/16/24/944331624.db2.gz RWQVHVCHBYGMGE-CTNGQTDRSA-N 2 1 363.590 3.659 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481997 944331631 /nfs/dbraw/zinc/33/16/31/944331631.db2.gz RWQVHVCHBYGMGE-CTNGQTDRSA-N 2 1 363.590 3.659 20 0 FHADMP CC(C)NC(=O)CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836571 944347484 /nfs/dbraw/zinc/34/74/84/944347484.db2.gz OSWUIFAQWBDCCN-JOCHJYFZSA-N 2 1 371.569 3.524 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000473754037 944362200 /nfs/dbraw/zinc/36/22/00/944362200.db2.gz ZYCSKAFEKXTOHO-NRFANRHFSA-N 2 1 374.573 3.544 20 0 FHADMP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000518426206 944370650 /nfs/dbraw/zinc/37/06/50/944370650.db2.gz CBHPDSZNSOXWKC-MOPGFXCFSA-N 2 1 361.549 3.685 20 0 FHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)c2)CC1 ZINC000473770016 944388562 /nfs/dbraw/zinc/38/85/62/944388562.db2.gz QILXXWJAJLFGLY-UHFFFAOYSA-N 2 1 372.557 3.519 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccnc(N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837164 944393191 /nfs/dbraw/zinc/39/31/91/944393191.db2.gz NBVOHLWGNMYIDG-QFIPXVFZSA-N 2 1 364.537 3.786 20 0 FHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000517566651 944407609 /nfs/dbraw/zinc/40/76/09/944407609.db2.gz XGSDMPYSOJUTLD-NRFANRHFSA-N 2 1 373.504 3.554 20 0 FHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000517566651 944407611 /nfs/dbraw/zinc/40/76/11/944407611.db2.gz XGSDMPYSOJUTLD-NRFANRHFSA-N 2 1 373.504 3.554 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]CCCCOc2ccccc2)cc1 ZINC000414887542 944440051 /nfs/dbraw/zinc/44/00/51/944440051.db2.gz QREVRCCPMHAVPZ-FCHUYYIVSA-N 2 1 354.494 3.590 20 0 FHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000518515389 944458680 /nfs/dbraw/zinc/45/86/80/944458680.db2.gz YOZZNWPSIMIQMC-UGKGYDQZSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000518515389 944458686 /nfs/dbraw/zinc/45/86/86/944458686.db2.gz YOZZNWPSIMIQMC-UGKGYDQZSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000518515389 944458695 /nfs/dbraw/zinc/45/86/95/944458695.db2.gz YOZZNWPSIMIQMC-UGKGYDQZSA-N 2 1 371.569 3.540 20 0 FHADMP Cc1c(CC[NH3+])c2cc(O)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981835 944490384 /nfs/dbraw/zinc/49/03/84/944490384.db2.gz MLZCTZVBSGKMBQ-JWTNVVGKSA-N 2 1 353.510 3.734 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350343 944529190 /nfs/dbraw/zinc/52/91/90/944529190.db2.gz HMBKTVNYMBGUQD-SJLPKXTDSA-N 2 1 358.555 3.704 20 0 FHADMP Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175891 944559606 /nfs/dbraw/zinc/55/96/06/944559606.db2.gz XDJDTFUZXQKYMN-BRWVUGGUSA-N 2 1 368.949 3.584 20 0 FHADMP COC(=O)c1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000312737020 944589081 /nfs/dbraw/zinc/58/90/81/944589081.db2.gz XEFQGKJGCBBQKM-JOCHJYFZSA-N 2 1 370.468 3.614 20 0 FHADMP COC(=O)c1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000312737020 944589084 /nfs/dbraw/zinc/58/90/84/944589084.db2.gz XEFQGKJGCBBQKM-JOCHJYFZSA-N 2 1 370.468 3.614 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccns3)CC2)cs1 ZINC000925033023 944628395 /nfs/dbraw/zinc/62/83/95/944628395.db2.gz YNWDFNCCFCQKMO-CYBMUJFWSA-N 2 1 350.557 3.725 20 0 FHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000518708017 944635482 /nfs/dbraw/zinc/63/54/82/944635482.db2.gz HPOKCMQRFKVGRI-UXHICEINSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000518708017 944635487 /nfs/dbraw/zinc/63/54/87/944635487.db2.gz HPOKCMQRFKVGRI-UXHICEINSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000518708017 944635489 /nfs/dbraw/zinc/63/54/89/944635489.db2.gz HPOKCMQRFKVGRI-UXHICEINSA-N 2 1 366.594 3.595 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@@H]3C(C)C)CC2)cs1 ZINC000925033103 944668656 /nfs/dbraw/zinc/66/86/56/944668656.db2.gz YUNJILUQBQFRBL-RTBURBONSA-N 2 1 365.587 3.568 20 0 FHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000418475340 944674638 /nfs/dbraw/zinc/67/46/38/944674638.db2.gz ZBNNQTWYIBVKHH-WSTZPKSXSA-N 2 1 372.557 3.502 20 0 FHADMP COC(=O)C1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426035205 944680131 /nfs/dbraw/zinc/68/01/31/944680131.db2.gz LDFSPLAQYYFPFV-GUSVMJMASA-N 2 1 358.526 3.609 20 0 FHADMP CCC1(CC)CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438501499 944699761 /nfs/dbraw/zinc/69/97/61/944699761.db2.gz TXNQLCHKXBZTCL-IBGZPJMESA-N 2 1 371.569 3.668 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506611495 944763874 /nfs/dbraw/zinc/76/38/74/944763874.db2.gz QRDUSAHVPDRDLQ-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506611495 944763879 /nfs/dbraw/zinc/76/38/79/944763879.db2.gz QRDUSAHVPDRDLQ-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506611495 944763887 /nfs/dbraw/zinc/76/38/87/944763887.db2.gz QRDUSAHVPDRDLQ-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506611495 944763895 /nfs/dbraw/zinc/76/38/95/944763895.db2.gz QRDUSAHVPDRDLQ-BHDDXSALSA-N 2 1 374.569 3.630 20 0 FHADMP [NH3+][C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC1 ZINC000414893512 944769770 /nfs/dbraw/zinc/76/97/70/944769770.db2.gz RKOPDHIYOOIYHB-FQEVSTJZSA-N 2 1 350.441 3.505 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000506945963 944805258 /nfs/dbraw/zinc/80/52/58/944805258.db2.gz QCXYNFURKQZUKI-UHFFFAOYSA-N 2 1 370.440 3.571 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445030 944824858 /nfs/dbraw/zinc/82/48/58/944824858.db2.gz KUGRDMFTRVIQLO-WOJBJXKFSA-N 2 1 363.590 3.612 20 0 FHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414939874 944902202 /nfs/dbraw/zinc/90/22/02/944902202.db2.gz BHCDCCIQFJQECC-TVQRCGJNSA-N 2 1 351.210 3.698 20 0 FHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414946081 944982782 /nfs/dbraw/zinc/98/27/82/944982782.db2.gz SLQMQNSELMOMHH-KUHUBIRLSA-N 2 1 357.885 3.680 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCOC4(CCOCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638774789 945021599 /nfs/dbraw/zinc/02/15/99/945021599.db2.gz HUEYRSNVCIGLAF-URVUXULASA-N 2 1 370.537 3.672 20 0 FHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCOC4(CCOCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638774789 945021610 /nfs/dbraw/zinc/02/16/10/945021610.db2.gz HUEYRSNVCIGLAF-URVUXULASA-N 2 1 370.537 3.672 20 0 FHADMP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058470789 945054395 /nfs/dbraw/zinc/05/43/95/945054395.db2.gz BCRUHQVUXSRVIT-IBGZPJMESA-N 2 1 369.553 3.552 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC[NH2+]1 ZINC000414957227 945061684 /nfs/dbraw/zinc/06/16/84/945061684.db2.gz VXVVQBJHPMUOGG-FZMZJTMJSA-N 2 1 366.328 3.803 20 0 FHADMP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427469965 945400005 /nfs/dbraw/zinc/40/00/05/945400005.db2.gz OXCGDEFGMYOBCF-PZJWPPBQSA-N 2 1 371.569 3.525 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280977707 945486276 /nfs/dbraw/zinc/48/62/76/945486276.db2.gz UEULJMRVSVNQKA-UHFFFAOYSA-N 2 1 369.900 3.662 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112270 945529277 /nfs/dbraw/zinc/52/92/77/945529277.db2.gz CLAQYHTUKZTUGP-OPAMFIHVSA-N 2 1 369.484 3.682 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)CCO1 ZINC000281112270 945529285 /nfs/dbraw/zinc/52/92/85/945529285.db2.gz CLAQYHTUKZTUGP-OPAMFIHVSA-N 2 1 369.484 3.682 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415129335 945691858 /nfs/dbraw/zinc/69/18/58/945691858.db2.gz PGRDCMLWVXJSHN-SJLPKXTDSA-N 2 1 370.541 3.730 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC23CC3)cc1 ZINC000519541738 945696811 /nfs/dbraw/zinc/69/68/11/945696811.db2.gz LHXQQOOKOVGTHA-BURNTYAHSA-N 2 1 352.522 3.731 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC23CC3)cc1 ZINC000519541738 945696815 /nfs/dbraw/zinc/69/68/15/945696815.db2.gz LHXQQOOKOVGTHA-BURNTYAHSA-N 2 1 352.522 3.731 20 0 FHADMP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1C ZINC000107730747 945770463 /nfs/dbraw/zinc/77/04/63/945770463.db2.gz GCGMFLXHBABUBJ-SBHAEUEKSA-N 2 1 363.590 3.515 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000651758577 945849626 /nfs/dbraw/zinc/84/96/26/945849626.db2.gz FIOQXXHJAMHNHZ-LSDHHAIUSA-N 2 1 350.478 3.586 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000651758577 945849641 /nfs/dbraw/zinc/84/96/41/945849641.db2.gz FIOQXXHJAMHNHZ-LSDHHAIUSA-N 2 1 350.478 3.586 20 0 FHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC([NH+](C)C)CC1 ZINC000301654378 945896331 /nfs/dbraw/zinc/89/63/31/945896331.db2.gz HKZSRLXDFRMWBV-UHFFFAOYSA-N 2 1 355.482 3.559 20 0 FHADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@H]21 ZINC000301659649 945898828 /nfs/dbraw/zinc/89/88/28/945898828.db2.gz CCJOHLLWRBBZQP-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@H]21 ZINC000301659649 945898837 /nfs/dbraw/zinc/89/88/37/945898837.db2.gz CCJOHLLWRBBZQP-SUMWQHHRSA-N 2 1 360.299 3.918 20 0 FHADMP Cc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(C)c(C)[nH+]1 ZINC000301674798 945907391 /nfs/dbraw/zinc/90/73/91/945907391.db2.gz GXYRXHRMFRTKNG-KRWDZBQOSA-N 2 1 354.498 3.714 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)[nH]n1 ZINC000440804801 945929540 /nfs/dbraw/zinc/92/95/40/945929540.db2.gz IRFZTNYLRBYNPX-UHFFFAOYSA-N 2 1 352.404 3.704 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000440812817 945938383 /nfs/dbraw/zinc/93/83/83/945938383.db2.gz KVITZZDWSMDBNQ-ZXFUBFMLSA-N 2 1 364.415 3.714 20 0 FHADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]n1 ZINC000440812817 945938387 /nfs/dbraw/zinc/93/83/87/945938387.db2.gz KVITZZDWSMDBNQ-ZXFUBFMLSA-N 2 1 364.415 3.714 20 0 FHADMP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594511985 946063068 /nfs/dbraw/zinc/06/30/68/946063068.db2.gz APCJWTRNPNXPAN-BHYGNILZSA-N 2 1 361.530 3.630 20 0 FHADMP CCc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2[nH+]1 ZINC000302063616 946103888 /nfs/dbraw/zinc/10/38/88/946103888.db2.gz UZGLTRWTTNEDCZ-FQEVSTJZSA-N 2 1 361.489 3.976 20 0 FHADMP c1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000045806672 946161986 /nfs/dbraw/zinc/16/19/86/946161986.db2.gz MOKYHAAFPMIZQC-UHFFFAOYSA-N 2 1 354.498 3.825 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000520205968 946266586 /nfs/dbraw/zinc/26/65/86/946266586.db2.gz LGCSKTURSBRIRF-UHFFFAOYSA-N 2 1 352.482 3.573 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000441180046 946286663 /nfs/dbraw/zinc/28/66/63/946286663.db2.gz FMQLKYJJZCBLLI-UHFFFAOYSA-N 2 1 351.560 3.666 20 0 FHADMP c1cnn(-c2ccccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000236736831 946364531 /nfs/dbraw/zinc/36/45/31/946364531.db2.gz IRSLDRPPHPEUFL-UHFFFAOYSA-N 2 1 360.505 3.669 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000302904802 946378408 /nfs/dbraw/zinc/37/84/08/946378408.db2.gz VHYACCYSVRVONX-IBGZPJMESA-N 2 1 365.452 3.943 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271546 946383425 /nfs/dbraw/zinc/38/34/25/946383425.db2.gz RBXZGZCEXGTODY-CBQOVEMMSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1Oc1cccnc1 ZINC000441271546 946383437 /nfs/dbraw/zinc/38/34/37/946383437.db2.gz RBXZGZCEXGTODY-CBQOVEMMSA-N 2 1 367.493 3.557 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652162684 946410481 /nfs/dbraw/zinc/41/04/81/946410481.db2.gz WPSBPZUWXKVFAP-KRWDZBQOSA-N 2 1 350.503 3.626 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475497126 946438071 /nfs/dbraw/zinc/43/80/71/946438071.db2.gz IRRUTZCMHMFRMM-NJNPRVFISA-N 2 1 369.553 3.550 20 0 FHADMP Cc1ccc2[nH]c(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)cc2c1C ZINC000473139211 946492858 /nfs/dbraw/zinc/49/28/58/946492858.db2.gz PHKBOGOTNPGWRF-UHFFFAOYSA-N 2 1 368.569 3.775 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520363535 946499532 /nfs/dbraw/zinc/49/95/32/946499532.db2.gz MMFQAECVUTXMMS-KDURUIRLSA-N 2 1 371.569 3.769 20 0 FHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368096 946517637 /nfs/dbraw/zinc/51/76/37/946517637.db2.gz ASOZPVNIULCIIN-WOJBJXKFSA-N 2 1 362.558 3.530 20 0 FHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368096 946517651 /nfs/dbraw/zinc/51/76/51/946517651.db2.gz ASOZPVNIULCIIN-WOJBJXKFSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368096 946517656 /nfs/dbraw/zinc/51/76/56/946517656.db2.gz ASOZPVNIULCIIN-WOJBJXKFSA-N 2 1 362.558 3.530 20 0 FHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000441368096 946517664 /nfs/dbraw/zinc/51/76/64/946517664.db2.gz ASOZPVNIULCIIN-WOJBJXKFSA-N 2 1 362.558 3.530 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432229862 946524941 /nfs/dbraw/zinc/52/49/41/946524941.db2.gz VQOCSRLEUFIPBO-UHFFFAOYSA-N 2 1 362.320 3.640 20 0 FHADMP Cc1nnc([C@@H]2CCC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)o1 ZINC001168058211 946608389 /nfs/dbraw/zinc/60/83/89/946608389.db2.gz PCYCNKFTBDGLDH-MBOZVWFJSA-N 2 1 368.525 3.999 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059198 946662715 /nfs/dbraw/zinc/66/27/15/946662715.db2.gz SFFUSTSYHLRSQR-NPDDRXJXSA-N 2 1 371.569 3.665 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059198 946662722 /nfs/dbraw/zinc/66/27/22/946662722.db2.gz SFFUSTSYHLRSQR-NPDDRXJXSA-N 2 1 371.569 3.665 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059198 946662728 /nfs/dbraw/zinc/66/27/28/946662728.db2.gz SFFUSTSYHLRSQR-NPDDRXJXSA-N 2 1 371.569 3.665 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059198 946662731 /nfs/dbraw/zinc/66/27/31/946662731.db2.gz SFFUSTSYHLRSQR-NPDDRXJXSA-N 2 1 371.569 3.665 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000112657649 946712737 /nfs/dbraw/zinc/71/27/37/946712737.db2.gz CFYQKVMQMPXUFY-NRFANRHFSA-N 2 1 352.526 3.816 20 0 FHADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270479 946803523 /nfs/dbraw/zinc/80/35/23/946803523.db2.gz RDHHZQQCEYMNKG-MAUKXSAKSA-N 2 1 369.475 3.990 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824616932 946864036 /nfs/dbraw/zinc/86/40/36/946864036.db2.gz BKZJBCUGDXEDEJ-INIZCTEOSA-N 2 1 364.497 3.558 20 0 FHADMP CC[N@@H+]1CC=C(c2cnc(N(C(N)=[NH2+])c3ccc(F)cc3)c(C)c2)CC1 ZINC001167993896 946867948 /nfs/dbraw/zinc/86/79/48/946867948.db2.gz ZNYCKAQEMIBTPS-UHFFFAOYSA-N 2 1 353.445 3.670 20 0 FHADMP COc1ccccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995153 946892227 /nfs/dbraw/zinc/89/22/27/946892227.db2.gz XUQZNZVSKMNWMU-XNMUZJSGSA-N 2 1 356.510 3.554 20 0 FHADMP COc1ccccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995153 946892234 /nfs/dbraw/zinc/89/22/34/946892234.db2.gz XUQZNZVSKMNWMU-XNMUZJSGSA-N 2 1 356.510 3.554 20 0 FHADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348392 946892500 /nfs/dbraw/zinc/89/25/00/946892500.db2.gz BVINLWAXGZSNSM-KCMWZYNZSA-N 2 1 367.331 3.728 20 0 FHADMP Cc1ccc([C@@]2(C)CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCO2)cc1 ZINC001167995014 946892609 /nfs/dbraw/zinc/89/26/09/946892609.db2.gz UDUVXDDQOUAIGB-HNTVYWHESA-N 2 1 354.538 3.948 20 0 FHADMP CCCc1noc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001167995031 946893007 /nfs/dbraw/zinc/89/30/07/946893007.db2.gz USUSNACGPRMERS-DFNIBXOVSA-N 2 1 358.530 3.607 20 0 FHADMP CCCc1noc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)n1 ZINC001167995031 946893018 /nfs/dbraw/zinc/89/30/18/946893018.db2.gz USUSNACGPRMERS-DFNIBXOVSA-N 2 1 358.530 3.607 20 0 FHADMP CCCc1noc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001167995031 946893027 /nfs/dbraw/zinc/89/30/27/946893027.db2.gz USUSNACGPRMERS-DFNIBXOVSA-N 2 1 358.530 3.607 20 0 FHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350446 946895537 /nfs/dbraw/zinc/89/55/37/946895537.db2.gz ZKZKKCSTUSRRJX-AETAKHFUSA-N 2 1 367.331 3.728 20 0 FHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])c2)cs1 ZINC000652355512 946916509 /nfs/dbraw/zinc/91/65/09/946916509.db2.gz ZMEUFPSETBFLJF-LIRRHRJNSA-N 2 1 372.538 3.506 20 0 FHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])c2)cs1 ZINC000652355512 946916523 /nfs/dbraw/zinc/91/65/23/946916523.db2.gz ZMEUFPSETBFLJF-LIRRHRJNSA-N 2 1 372.538 3.506 20 0 FHADMP O=C(c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000647978153 946933627 /nfs/dbraw/zinc/93/36/27/946933627.db2.gz NISWUIBFNRFNAK-FGZHOGPDSA-N 2 1 369.553 3.524 20 0 FHADMP C[C@H]1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062624 946973670 /nfs/dbraw/zinc/97/36/70/946973670.db2.gz KRCSZLOGMONKNP-PMACEKPBSA-N 3 1 355.570 3.846 20 0 FHADMP C[C@H]1CC([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168062624 946973675 /nfs/dbraw/zinc/97/36/75/946973675.db2.gz KRCSZLOGMONKNP-PMACEKPBSA-N 2 1 355.570 3.846 20 0 FHADMP C[C@H]1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168062624 946973680 /nfs/dbraw/zinc/97/36/80/946973680.db2.gz KRCSZLOGMONKNP-PMACEKPBSA-N 2 1 355.570 3.846 20 0 FHADMP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995867 947058431 /nfs/dbraw/zinc/05/84/31/947058431.db2.gz SXGINWIIXIKEIJ-AIZNXBIQSA-N 2 1 353.554 3.518 20 0 FHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644512 947066314 /nfs/dbraw/zinc/06/63/14/947066314.db2.gz FIHFZLHNNNBLDE-FCHUYYIVSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644512 947066322 /nfs/dbraw/zinc/06/63/22/947066322.db2.gz FIHFZLHNNNBLDE-FCHUYYIVSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644512 947066344 /nfs/dbraw/zinc/06/63/44/947066344.db2.gz FIHFZLHNNNBLDE-FCHUYYIVSA-N 2 1 358.526 3.518 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000444644512 947066333 /nfs/dbraw/zinc/06/63/33/947066333.db2.gz FIHFZLHNNNBLDE-FCHUYYIVSA-N 2 1 358.526 3.518 20 0 FHADMP CCc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000124531324 947071428 /nfs/dbraw/zinc/07/14/28/947071428.db2.gz DTVVWIOSPHDZOJ-UHFFFAOYSA-N 2 1 352.507 3.966 20 0 FHADMP CCc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000124531324 947071434 /nfs/dbraw/zinc/07/14/34/947071434.db2.gz DTVVWIOSPHDZOJ-UHFFFAOYSA-N 2 1 352.507 3.966 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192923525 947104989 /nfs/dbraw/zinc/10/49/89/947104989.db2.gz YJDBHSLVYXDJRG-RXVVDRJESA-N 2 1 368.521 3.747 20 0 FHADMP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)c1 ZINC000301258238 947254863 /nfs/dbraw/zinc/25/48/63/947254863.db2.gz GDSIXTONIFOGDD-UHFFFAOYSA-N 2 1 354.841 3.618 20 0 FHADMP Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000663188210 947331569 /nfs/dbraw/zinc/33/15/69/947331569.db2.gz DFZMBPFCXQJMQQ-QFIPXVFZSA-N 2 1 364.537 3.908 20 0 FHADMP O=C(C[N@H+]1CCC[C@H]1C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523611964 947419806 /nfs/dbraw/zinc/41/98/06/947419806.db2.gz KRNGDMZQPOCKPA-QFIPXVFZSA-N 2 1 369.553 3.553 20 0 FHADMP COc1cccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662252556 947674330 /nfs/dbraw/zinc/67/43/30/947674330.db2.gz AJWMTXGFNYLJGI-JOCHJYFZSA-N 2 1 366.505 3.522 20 0 FHADMP Fc1ccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CCOCC2)cc1 ZINC000662279015 947702710 /nfs/dbraw/zinc/70/27/10/947702710.db2.gz OQSBEDLPEGJHIN-UHFFFAOYSA-N 2 1 354.469 3.653 20 0 FHADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292294 947714759 /nfs/dbraw/zinc/71/47/59/947714759.db2.gz DCOXGGSMDZBUHJ-CYBMUJFWSA-N 2 1 372.738 3.709 20 0 FHADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292294 947714762 /nfs/dbraw/zinc/71/47/62/947714762.db2.gz DCOXGGSMDZBUHJ-CYBMUJFWSA-N 2 1 372.738 3.709 20 0 FHADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296008 947722256 /nfs/dbraw/zinc/72/22/56/947722256.db2.gz JVRNCTUSSNTEMS-CRAIPNDOSA-N 2 1 372.488 3.957 20 0 FHADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296009 947722583 /nfs/dbraw/zinc/72/25/83/947722583.db2.gz JVRNCTUSSNTEMS-MAUKXSAKSA-N 2 1 372.488 3.957 20 0 FHADMP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662319671 947749224 /nfs/dbraw/zinc/74/92/24/947749224.db2.gz PQOIIDHVJLZXMF-LBPRGKRZSA-N 2 1 370.419 3.735 20 0 FHADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662319671 947749232 /nfs/dbraw/zinc/74/92/32/947749232.db2.gz PQOIIDHVJLZXMF-LBPRGKRZSA-N 2 1 370.419 3.735 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC000662321467 947749509 /nfs/dbraw/zinc/74/95/09/947749509.db2.gz IXIZGQKLOUWNBR-GOSISDBHSA-N 2 1 374.447 3.517 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC000662321467 947749516 /nfs/dbraw/zinc/74/95/16/947749516.db2.gz IXIZGQKLOUWNBR-GOSISDBHSA-N 2 1 374.447 3.517 20 0 FHADMP CCc1ccc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327459 947759382 /nfs/dbraw/zinc/75/93/82/947759382.db2.gz ORPVIUOQUCJAHW-UHFFFAOYSA-N 2 1 366.553 3.861 20 0 FHADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328551 947759765 /nfs/dbraw/zinc/75/97/65/947759765.db2.gz SMNAQRHBJWQQBA-VGOFRKELSA-N 2 1 374.573 3.651 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662390222 947769319 /nfs/dbraw/zinc/76/93/19/947769319.db2.gz YSGHJVKVAYPOEQ-KRWDZBQOSA-N 2 1 363.505 3.594 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(SC)cc1OC ZINC000663347071 947814303 /nfs/dbraw/zinc/81/43/03/947814303.db2.gz YZDPJRNGONDGBC-MRXNPFEDSA-N 2 1 364.555 3.637 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(SC)cc1OC ZINC000663347071 947814310 /nfs/dbraw/zinc/81/43/10/947814310.db2.gz YZDPJRNGONDGBC-MRXNPFEDSA-N 2 1 364.555 3.637 20 0 FHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346549 947816357 /nfs/dbraw/zinc/81/63/57/947816357.db2.gz ULYZJSJHHOZBCW-MRXNPFEDSA-N 2 1 358.555 3.793 20 0 FHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346549 947816362 /nfs/dbraw/zinc/81/63/62/947816362.db2.gz ULYZJSJHHOZBCW-MRXNPFEDSA-N 2 1 358.555 3.793 20 0 FHADMP Clc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc2c1OCCCO2 ZINC000663347886 947818112 /nfs/dbraw/zinc/81/81/12/947818112.db2.gz ZFIXHTHCDZDAQB-INIZCTEOSA-N 2 1 364.917 3.713 20 0 FHADMP Clc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc2c1OCCCO2 ZINC000663347886 947818124 /nfs/dbraw/zinc/81/81/24/947818124.db2.gz ZFIXHTHCDZDAQB-INIZCTEOSA-N 2 1 364.917 3.713 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347592 947820915 /nfs/dbraw/zinc/82/09/15/947820915.db2.gz PNSOFVVGUXSPDX-MRXNPFEDSA-N 2 1 354.441 3.508 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000165287955 947875246 /nfs/dbraw/zinc/87/52/46/947875246.db2.gz CNIGUUSBWVFFAW-RXVVDRJESA-N 2 1 365.521 3.860 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662502167 947875981 /nfs/dbraw/zinc/87/59/81/947875981.db2.gz JYADZIBJNUQCQQ-BDTNDASRSA-N 2 1 371.569 3.511 20 0 FHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000236791512 947897461 /nfs/dbraw/zinc/89/74/61/947897461.db2.gz IPEINWOEZPPZTF-UHFFFAOYSA-N 2 1 353.510 3.871 20 0 FHADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)CC1 ZINC000662675189 947976455 /nfs/dbraw/zinc/97/64/55/947976455.db2.gz KILSSJPSAJDGGX-FQEVSTJZSA-N 2 1 373.447 3.835 20 0 FHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663463655 948050070 /nfs/dbraw/zinc/05/00/70/948050070.db2.gz ASZFHNBNVBCFEL-ZHALLVOQSA-N 2 1 360.542 3.907 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466181 948050817 /nfs/dbraw/zinc/05/08/17/948050817.db2.gz OYZCCJSAMXNLKC-ZFWWWQNUSA-N 2 1 352.320 3.617 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cncc(Br)c1 ZINC000663466181 948050826 /nfs/dbraw/zinc/05/08/26/948050826.db2.gz OYZCCJSAMXNLKC-ZFWWWQNUSA-N 2 1 352.320 3.617 20 0 FHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467512 948054588 /nfs/dbraw/zinc/05/45/88/948054588.db2.gz GLIYCMXSZHUIEX-IEBWSBKVSA-N 2 1 357.542 3.678 20 0 FHADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663469986 948064366 /nfs/dbraw/zinc/06/43/66/948064366.db2.gz SHRMIZYBLLLXHO-GOEBONIOSA-N 2 1 350.478 3.616 20 0 FHADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469986 948064374 /nfs/dbraw/zinc/06/43/74/948064374.db2.gz SHRMIZYBLLLXHO-GOEBONIOSA-N 2 1 350.478 3.616 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1cccc(F)c1 ZINC000166238944 948096260 /nfs/dbraw/zinc/09/62/60/948096260.db2.gz QRIBDVFCRMUNJO-TZIWHRDSSA-N 2 1 367.468 3.794 20 0 FHADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1cccc(F)c1 ZINC000166238944 948096271 /nfs/dbraw/zinc/09/62/71/948096271.db2.gz QRIBDVFCRMUNJO-TZIWHRDSSA-N 2 1 367.468 3.794 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823547 948100803 /nfs/dbraw/zinc/10/08/03/948100803.db2.gz DIEHFINRDBBMTD-REWPJTCUSA-N 2 1 371.569 3.934 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119062 /nfs/dbraw/zinc/11/90/62/948119062.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 2 1 363.594 3.610 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825586 948125611 /nfs/dbraw/zinc/12/56/11/948125611.db2.gz RPXCNEDBQBAGSI-MZYLBHOOSA-N 3 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825586 948125617 /nfs/dbraw/zinc/12/56/17/948125617.db2.gz RPXCNEDBQBAGSI-MZYLBHOOSA-N 3 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825586 948125622 /nfs/dbraw/zinc/12/56/22/948125622.db2.gz RPXCNEDBQBAGSI-MZYLBHOOSA-N 3 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825586 948125631 /nfs/dbraw/zinc/12/56/31/948125631.db2.gz RPXCNEDBQBAGSI-MZYLBHOOSA-N 2 1 357.586 3.869 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825586 948125637 /nfs/dbraw/zinc/12/56/37/948125637.db2.gz RPXCNEDBQBAGSI-MZYLBHOOSA-N 2 1 357.586 3.869 20 0 FHADMP Cc1cccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168001801 948130611 /nfs/dbraw/zinc/13/06/11/948130611.db2.gz HXRGRUKOZMLENW-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001168001801 948130614 /nfs/dbraw/zinc/13/06/14/948130614.db2.gz HXRGRUKOZMLENW-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001168001801 948130621 /nfs/dbraw/zinc/13/06/21/948130621.db2.gz HXRGRUKOZMLENW-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001167827285 948141468 /nfs/dbraw/zinc/14/14/68/948141468.db2.gz VPXGFDCKJFGPAF-KRWDZBQOSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001167828140 948167671 /nfs/dbraw/zinc/16/76/71/948167671.db2.gz ZYRZRXVUJWFZBU-SFHVURJKSA-N 2 1 367.578 3.830 20 0 FHADMP C[C@@H]1C[N@@H+](CCCNCc2c(Cl)cccc2N2CCCC2)CCCO1 ZINC000432343867 948175698 /nfs/dbraw/zinc/17/56/98/948175698.db2.gz AFYIKXJNOORLCW-QGZVFWFLSA-N 2 1 365.949 3.531 20 0 FHADMP Cc1cccnc1O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002124 948216216 /nfs/dbraw/zinc/21/62/16/948216216.db2.gz MYPACZBPKRHGOK-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccnc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002124 948216224 /nfs/dbraw/zinc/21/62/24/948216224.db2.gz MYPACZBPKRHGOK-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccnc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002124 948216234 /nfs/dbraw/zinc/21/62/34/948216234.db2.gz MYPACZBPKRHGOK-JKWVGCSGSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCOc4cc(F)ccc43)CC2)nc(C)[nH+]1 ZINC000182110112 948255955 /nfs/dbraw/zinc/25/59/55/948255955.db2.gz KRVUGRSUVZDCGJ-LJQANCHMSA-N 2 1 370.472 3.705 20 0 FHADMP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000512044588 948289427 /nfs/dbraw/zinc/28/94/27/948289427.db2.gz GOXOXSCHTADNPB-RTBURBONSA-N 2 1 359.539 3.993 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000512045277 948299530 /nfs/dbraw/zinc/29/95/30/948299530.db2.gz LPIFIMFAMIZHAQ-BQFGZSDQSA-N 2 1 352.469 3.705 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000512045280 948299660 /nfs/dbraw/zinc/29/96/60/948299660.db2.gz LPIFIMFAMIZHAQ-XGBCVQCSSA-N 2 1 352.469 3.705 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836802 948307871 /nfs/dbraw/zinc/30/78/71/948307871.db2.gz HLSAGJUFRNJZQF-MSOLQXFVSA-N 2 1 355.567 3.876 20 0 FHADMP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166858153 948354933 /nfs/dbraw/zinc/35/49/33/948354933.db2.gz DQTZMILPRAFOHF-NHCUHLMSSA-N 2 1 367.468 3.794 20 0 FHADMP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166858153 948354939 /nfs/dbraw/zinc/35/49/39/948354939.db2.gz DQTZMILPRAFOHF-NHCUHLMSSA-N 2 1 367.468 3.794 20 0 FHADMP CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413599 948361007 /nfs/dbraw/zinc/36/10/07/948361007.db2.gz NEVUSAWBAATCBH-RDJZCZTQSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413599 948361013 /nfs/dbraw/zinc/36/10/13/948361013.db2.gz NEVUSAWBAATCBH-RDJZCZTQSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413599 948361021 /nfs/dbraw/zinc/36/10/21/948361021.db2.gz NEVUSAWBAATCBH-RDJZCZTQSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413599 948361031 /nfs/dbraw/zinc/36/10/31/948361031.db2.gz NEVUSAWBAATCBH-RDJZCZTQSA-N 2 1 356.457 3.830 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001167841602 948363246 /nfs/dbraw/zinc/36/32/46/948363246.db2.gz MWZHOUNCCMGYKJ-MSOLQXFVSA-N 2 1 355.567 3.828 20 0 FHADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414964 948365426 /nfs/dbraw/zinc/36/54/26/948365426.db2.gz AYZXDOYMNHONEG-QZTJIDSGSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414964 948365430 /nfs/dbraw/zinc/36/54/30/948365430.db2.gz AYZXDOYMNHONEG-QZTJIDSGSA-N 2 1 356.510 4.000 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(Br)c1 ZINC000278999260 948386237 /nfs/dbraw/zinc/38/62/37/948386237.db2.gz RCJARJVVVFRAHF-NWDGAFQWSA-N 2 1 352.251 3.698 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842887 948397011 /nfs/dbraw/zinc/39/70/11/948397011.db2.gz ZOWWKFLRYFFTIZ-HTAPYJJXSA-N 2 1 358.526 3.838 20 0 FHADMP C[C@@H]1CC([NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005863 948533320 /nfs/dbraw/zinc/53/33/20/948533320.db2.gz KRJCLIDRUUTXSD-QZTJIDSGSA-N 2 1 366.505 3.989 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000066990645 948576737 /nfs/dbraw/zinc/57/67/37/948576737.db2.gz ROAFOSKRWZWXKD-CALCHBBNSA-N 2 1 359.539 3.789 20 0 FHADMP COc1cccc(Cl)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512180668 948694480 /nfs/dbraw/zinc/69/44/80/948694480.db2.gz AVGWRIDPFWNQDM-IYBDPMFKSA-N 2 1 366.933 3.670 20 0 FHADMP COc1cccc(Cl)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512180668 948694486 /nfs/dbraw/zinc/69/44/86/948694486.db2.gz AVGWRIDPFWNQDM-IYBDPMFKSA-N 2 1 366.933 3.670 20 0 FHADMP COc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512180667 948694977 /nfs/dbraw/zinc/69/49/77/948694977.db2.gz AVGWRIDPFWNQDM-HZPDHXFCSA-N 2 1 366.933 3.670 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000512181387 948700496 /nfs/dbraw/zinc/70/04/96/948700496.db2.gz BKLIAGFSWJJCGS-GJZGRUSLSA-N 2 1 354.897 3.800 20 0 FHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000074067349 948708116 /nfs/dbraw/zinc/70/81/16/948708116.db2.gz PZFSSFHVPJKOEM-FQEVSTJZSA-N 2 1 352.482 3.772 20 0 FHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000512183684 948717577 /nfs/dbraw/zinc/71/75/77/948717577.db2.gz VZXYSXJPIHVLED-OAQYLSRUSA-N 2 1 352.526 3.816 20 0 FHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000512183684 948717580 /nfs/dbraw/zinc/71/75/80/948717580.db2.gz VZXYSXJPIHVLED-OAQYLSRUSA-N 2 1 352.526 3.816 20 0 FHADMP C[N@@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000524017962 948782821 /nfs/dbraw/zinc/78/28/21/948782821.db2.gz YRLBUDNIUGQTTD-UHFFFAOYSA-N 2 1 372.557 3.711 20 0 FHADMP Cc1ccc2cc(CN3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)ccc2n1 ZINC000187078748 948785775 /nfs/dbraw/zinc/78/57/75/948785775.db2.gz DRCITGRNKWHNTR-BGYRXZFFSA-N 2 1 366.553 3.534 20 0 FHADMP Cc1ccc2cc(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)ccc2n1 ZINC000187078748 948785784 /nfs/dbraw/zinc/78/57/84/948785784.db2.gz DRCITGRNKWHNTR-BGYRXZFFSA-N 2 1 366.553 3.534 20 0 FHADMP Cc1ccc2cc(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)ccc2n1 ZINC000187078748 948785801 /nfs/dbraw/zinc/78/58/01/948785801.db2.gz DRCITGRNKWHNTR-BGYRXZFFSA-N 2 1 366.553 3.534 20 0 FHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677700 523397768 /nfs/dbraw/zinc/39/77/68/523397768.db2.gz LWEWLOWWYJOXRO-OAQYLSRUSA-N 2 1 351.494 3.503 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677700 523397776 /nfs/dbraw/zinc/39/77/76/523397776.db2.gz LWEWLOWWYJOXRO-OAQYLSRUSA-N 2 1 351.494 3.503 20 0 FHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677700 523397780 /nfs/dbraw/zinc/39/77/80/523397780.db2.gz LWEWLOWWYJOXRO-OAQYLSRUSA-N 2 1 351.494 3.503 20 0 FHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000275677700 523397785 /nfs/dbraw/zinc/39/77/85/523397785.db2.gz LWEWLOWWYJOXRO-OAQYLSRUSA-N 2 1 351.494 3.503 20 0 FHADMP C[C@@]12CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]1C2(F)F ZINC000644835203 568010190 /nfs/dbraw/zinc/01/01/90/568010190.db2.gz XGDGVGIIEQLLON-RBUKOAKNSA-N 2 1 350.453 3.638 20 0 FHADMP Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1Oc1ccncc1 ZINC000604220012 568230397 /nfs/dbraw/zinc/23/03/97/568230397.db2.gz GHGUATNJMFPSKQ-RBUKOAKNSA-N 2 1 351.450 3.539 20 0 FHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000365383090 568585145 /nfs/dbraw/zinc/58/51/45/568585145.db2.gz UXMQCWZHKVFKPL-UHFFFAOYSA-N 2 1 367.472 3.954 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000365383090 568585146 /nfs/dbraw/zinc/58/51/46/568585146.db2.gz UXMQCWZHKVFKPL-UHFFFAOYSA-N 2 1 367.472 3.954 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000365405370 568624572 /nfs/dbraw/zinc/62/45/72/568624572.db2.gz SOUNFXGMPIFQKT-SFHVURJKSA-N 2 1 374.554 3.583 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000365405370 568624576 /nfs/dbraw/zinc/62/45/76/568624576.db2.gz SOUNFXGMPIFQKT-SFHVURJKSA-N 2 1 374.554 3.583 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413701 599371069 /nfs/dbraw/zinc/37/10/69/599371069.db2.gz UPKXGOFSLYDHBO-INIZCTEOSA-N 2 1 368.529 3.562 20 0 FHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1 ZINC001164620025 719124755 /nfs/dbraw/zinc/12/47/55/719124755.db2.gz GMVJDAWMUOXJSO-GBESFXJTSA-N 2 1 360.521 3.532 20 0 FHADMP Cc1cc(C)[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836994 720660731 /nfs/dbraw/zinc/66/07/31/720660731.db2.gz APSVLZZNDFSXTJ-NRFANRHFSA-N 2 1 365.521 3.958 20 0 FHADMP Cc1ccccc1Cc1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000079413295 937083280 /nfs/dbraw/zinc/08/32/80/937083280.db2.gz UBUOIIHOLLBQEW-UHFFFAOYSA-N 2 1 356.514 3.521 20 0 FHADMP Cc1ccccc1Cc1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000079413295 937083284 /nfs/dbraw/zinc/08/32/84/937083284.db2.gz UBUOIIHOLLBQEW-UHFFFAOYSA-N 2 1 356.514 3.521 20 0 FHADMP C[NH+]1CCC([NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000579757636 927309357 /nfs/dbraw/zinc/30/93/57/927309357.db2.gz FVKGPHNIQDFBBP-KRWDZBQOSA-N 2 1 362.315 3.992 20 0 FHADMP CS[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@@H](SC)C3)ccc2F)C1 ZINC000579797377 927541677 /nfs/dbraw/zinc/54/16/77/927541677.db2.gz WBHDJYMDBPDIAR-IAGOWNOFSA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@@H](SC)C3)c2)C1 ZINC000579797377 927541686 /nfs/dbraw/zinc/54/16/86/927541686.db2.gz WBHDJYMDBPDIAR-IAGOWNOFSA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@@H](SC)C3)c2)C1 ZINC000579797377 927541692 /nfs/dbraw/zinc/54/16/92/927541692.db2.gz WBHDJYMDBPDIAR-IAGOWNOFSA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](SC)C3)ccc2F)C1 ZINC000579797376 927542115 /nfs/dbraw/zinc/54/21/15/927542115.db2.gz WBHDJYMDBPDIAR-DLBZAZTESA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[N@@H+](Cc2cc(C[NH+]3CC[C@H](SC)C3)ccc2F)C1 ZINC000579797376 927542127 /nfs/dbraw/zinc/54/21/27/927542127.db2.gz WBHDJYMDBPDIAR-DLBZAZTESA-N 2 1 354.560 3.700 20 0 FHADMP CS[C@@H]1CC[N@H+](Cc2cc(C[NH+]3CC[C@H](SC)C3)ccc2F)C1 ZINC000579797376 927542139 /nfs/dbraw/zinc/54/21/39/927542139.db2.gz WBHDJYMDBPDIAR-DLBZAZTESA-N 2 1 354.560 3.700 20 0 FHADMP COc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1F ZINC000154151126 937178762 /nfs/dbraw/zinc/17/87/62/937178762.db2.gz TZZMIXAODDQBLO-CQSZACIVSA-N 2 1 358.461 3.561 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274740650 927765207 /nfs/dbraw/zinc/76/52/07/927765207.db2.gz ADYHWSLUQWJJCK-BUMZBHGASA-N 2 1 362.583 3.566 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274740650 927765218 /nfs/dbraw/zinc/76/52/18/927765218.db2.gz ADYHWSLUQWJJCK-BUMZBHGASA-N 2 1 362.583 3.566 20 0 FHADMP CCC1CCC([N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2CC2)CC1 ZINC001167070140 928197543 /nfs/dbraw/zinc/19/75/43/928197543.db2.gz DDNPLOBSIGTXNE-ZNIKRAEXSA-N 2 1 371.569 3.839 20 0 FHADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000583218325 937246178 /nfs/dbraw/zinc/24/61/78/937246178.db2.gz UXQPPQOINOJHIK-IPMKNSEASA-N 2 1 373.447 3.683 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937261995 /nfs/dbraw/zinc/26/19/95/937261995.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 3 1 373.585 3.506 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937261996 /nfs/dbraw/zinc/26/19/96/937261996.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 3 1 373.585 3.506 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262000 /nfs/dbraw/zinc/26/20/00/937262000.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 3 1 373.585 3.506 20 0 FHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262002 /nfs/dbraw/zinc/26/20/02/937262002.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 2 1 373.585 3.506 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937262003 /nfs/dbraw/zinc/26/20/03/937262003.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 2 1 373.585 3.506 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453249 928755222 /nfs/dbraw/zinc/75/52/22/928755222.db2.gz MMHLUWPMIDSPTO-QGZVFWFLSA-N 2 1 367.331 3.529 20 0 FHADMP C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131289 928919881 /nfs/dbraw/zinc/91/98/81/928919881.db2.gz QTRBPGKSMKEAJP-KCZVDYSFSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274978086 929095956 /nfs/dbraw/zinc/09/59/56/929095956.db2.gz YYKBHOAFCWHVGH-AJSBUHFISA-N 2 1 352.522 3.653 20 0 FHADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209159474 929386625 /nfs/dbraw/zinc/38/66/25/929386625.db2.gz UICJOEWHNSBFLQ-LEWJYISDSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209159474 929386638 /nfs/dbraw/zinc/38/66/38/929386638.db2.gz UICJOEWHNSBFLQ-LEWJYISDSA-N 2 1 358.526 3.562 20 0 FHADMP CC(=O)OC(C)(C)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209159474 929386650 /nfs/dbraw/zinc/38/66/50/929386650.db2.gz UICJOEWHNSBFLQ-LEWJYISDSA-N 2 1 358.526 3.562 20 0 FHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Oc1cccnc1 ZINC000657750167 937337323 /nfs/dbraw/zinc/33/73/23/937337323.db2.gz BZRKEENTVHJFNM-HXUWFJFHSA-N 2 1 367.493 3.525 20 0 FHADMP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000275661657 929766030 /nfs/dbraw/zinc/76/60/30/929766030.db2.gz OCPWEJYOVZHBIH-MJGOQNOKSA-N 2 1 372.557 3.565 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccnc(Cl)c3)cc2)CC1 ZINC000160322787 929787369 /nfs/dbraw/zinc/78/73/69/929787369.db2.gz LPSMTMTUQUDXPN-QGZVFWFLSA-N 2 1 372.944 3.723 20 0 FHADMP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000683722847 929923084 /nfs/dbraw/zinc/92/30/84/929923084.db2.gz KTQOSLJMIQXCJE-JOCHJYFZSA-N 2 1 368.496 3.685 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)CC3 ZINC000123477829 930015832 /nfs/dbraw/zinc/01/58/32/930015832.db2.gz MXIXGJNVWKVEPF-ZWKOTPCHSA-N 2 1 369.553 3.991 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)CC3 ZINC000123477565 930015933 /nfs/dbraw/zinc/01/59/33/930015933.db2.gz MXIXGJNVWKVEPF-QZTJIDSGSA-N 2 1 369.553 3.991 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000583376416 937392276 /nfs/dbraw/zinc/39/22/76/937392276.db2.gz MUYQUTFIIKBCJK-JTSKRJEESA-N 2 1 356.485 3.544 20 0 FHADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000152350924 930263177 /nfs/dbraw/zinc/26/31/77/930263177.db2.gz YPKIGDSJJYXWIX-IBGZPJMESA-N 2 1 365.521 3.956 20 0 FHADMP C[NH+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152350924 930263179 /nfs/dbraw/zinc/26/31/79/930263179.db2.gz YPKIGDSJJYXWIX-IBGZPJMESA-N 2 1 365.521 3.956 20 0 FHADMP C[NH+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152350924 930263188 /nfs/dbraw/zinc/26/31/88/930263188.db2.gz YPKIGDSJJYXWIX-IBGZPJMESA-N 2 1 365.521 3.956 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000160442241 930405315 /nfs/dbraw/zinc/40/53/15/930405315.db2.gz CNYLVSGTOBJSOC-LJQANCHMSA-N 2 1 368.521 3.638 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040122 930631985 /nfs/dbraw/zinc/63/19/85/930631985.db2.gz RMAOZGFBKZCLPP-QDSKXPNFSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040122 930631988 /nfs/dbraw/zinc/63/19/88/930631988.db2.gz RMAOZGFBKZCLPP-QDSKXPNFSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398040122 930631996 /nfs/dbraw/zinc/63/19/96/930631996.db2.gz RMAOZGFBKZCLPP-QDSKXPNFSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398040122 930632001 /nfs/dbraw/zinc/63/20/01/930632001.db2.gz RMAOZGFBKZCLPP-QDSKXPNFSA-N 2 1 363.549 3.761 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000580454440 930693223 /nfs/dbraw/zinc/69/32/23/930693223.db2.gz KAVXKHRRVPVNDO-FQEVSTJZSA-N 2 1 352.563 3.549 20 0 FHADMP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000656250317 930848745 /nfs/dbraw/zinc/84/87/45/930848745.db2.gz MRQUUQXZCKJMLS-UHFFFAOYSA-N 2 1 358.505 3.872 20 0 FHADMP CCC(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+](C)C ZINC000236668384 930995734 /nfs/dbraw/zinc/99/57/34/930995734.db2.gz ZNBQSXSNTCJWLN-XVLXNVKGSA-N 2 1 367.578 3.873 20 0 FHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2C1 ZINC000158272338 931048784 /nfs/dbraw/zinc/04/87/84/931048784.db2.gz WVPSDTNXWJYFKH-UHFFFAOYSA-N 2 1 351.494 3.972 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@H]2CCCCO2)cc1 ZINC000656405104 931592958 /nfs/dbraw/zinc/59/29/58/931592958.db2.gz HVKVWXLCBCZXQI-NQQQLTFYSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC[C@H]2CCCCO2)cc1 ZINC000656405104 931592961 /nfs/dbraw/zinc/59/29/61/931592961.db2.gz HVKVWXLCBCZXQI-NQQQLTFYSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@H]2CCCCO2)cc1 ZINC000656405104 931592966 /nfs/dbraw/zinc/59/29/66/931592966.db2.gz HVKVWXLCBCZXQI-NQQQLTFYSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC[C@H]2CCCCO2)cc1 ZINC000656405104 931592975 /nfs/dbraw/zinc/59/29/75/931592975.db2.gz HVKVWXLCBCZXQI-NQQQLTFYSA-N 2 1 354.538 3.788 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(CCC[NH+]3CCCCC3)C2)cc1 ZINC000656407906 931597948 /nfs/dbraw/zinc/59/79/48/931597948.db2.gz UQJYNTWNWFZMSF-ZJZGAYNASA-N 2 1 367.581 3.705 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOc2ccccc2)cc1 ZINC000656406686 931603351 /nfs/dbraw/zinc/60/33/51/931603351.db2.gz VXAODDJTKGHXQT-XGAJZPNHSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOc2ccccc2)cc1 ZINC000656406686 931603354 /nfs/dbraw/zinc/60/33/54/931603354.db2.gz VXAODDJTKGHXQT-XGAJZPNHSA-N 2 1 362.517 3.908 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOc2ccccc2)cc1 ZINC000656406686 931603360 /nfs/dbraw/zinc/60/33/60/931603360.db2.gz VXAODDJTKGHXQT-XGAJZPNHSA-N 2 1 362.517 3.908 20 0 FHADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cn2)c1 ZINC000581207099 931674575 /nfs/dbraw/zinc/67/45/75/931674575.db2.gz YNOFYAACSRBXRM-NJYVYQBISA-N 2 1 367.493 3.845 20 0 FHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000581219995 931698910 /nfs/dbraw/zinc/69/89/10/931698910.db2.gz GYILVHYTOSOJCZ-UHFFFAOYSA-N 2 1 373.298 3.724 20 0 FHADMP C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156334 931729538 /nfs/dbraw/zinc/72/95/38/931729538.db2.gz IOFONQSDDWWNLY-NZQKXSOJSA-N 2 1 374.532 3.915 20 0 FHADMP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581280377 931778570 /nfs/dbraw/zinc/77/85/70/931778570.db2.gz AJZOGRZJZHVFLW-NHCUHLMSSA-N 2 1 372.553 3.952 20 0 FHADMP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511703597 931924476 /nfs/dbraw/zinc/92/44/76/931924476.db2.gz RDJGUVGHFKEONR-LJQANCHMSA-N 2 1 367.537 3.779 20 0 FHADMP CC[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000430595867 932011064 /nfs/dbraw/zinc/01/10/64/932011064.db2.gz VNUCQAZCVIWXQU-UHFFFAOYSA-N 2 1 363.502 3.683 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000581515980 932192677 /nfs/dbraw/zinc/19/26/77/932192677.db2.gz RJDWDDAYAQSBQA-HSZRJFAPSA-N 2 1 366.553 3.597 20 0 FHADMP CC(C)OCC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090188288 932284915 /nfs/dbraw/zinc/28/49/15/932284915.db2.gz JIIPTGOBPIISMW-QFIPXVFZSA-N 2 1 373.585 3.519 20 0 FHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000581596080 932291520 /nfs/dbraw/zinc/29/15/20/932291520.db2.gz RYCGATVQKOQZGU-KNQAVFIVSA-N 2 1 371.569 3.586 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)nc1 ZINC000656784537 932419115 /nfs/dbraw/zinc/41/91/15/932419115.db2.gz DSMNMVLHZAICHY-OAQYLSRUSA-N 2 1 365.521 3.872 20 0 FHADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786592 932421090 /nfs/dbraw/zinc/42/10/90/932421090.db2.gz UZKAKGPIZJZYMO-KRWDZBQOSA-N 2 1 358.917 3.942 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC000656789846 932422229 /nfs/dbraw/zinc/42/22/29/932422229.db2.gz AGHMSQMIBUZWGH-IWFBPKFRSA-N 2 1 354.469 3.673 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000656786731 932426106 /nfs/dbraw/zinc/42/61/06/932426106.db2.gz XCPNSQAZYKKRPE-INIZCTEOSA-N 2 1 352.906 3.569 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656789182 932426855 /nfs/dbraw/zinc/42/68/55/932426855.db2.gz LCGHJSDRHGSFMM-UHFFFAOYSA-N 2 1 356.514 3.675 20 0 FHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689567 932507399 /nfs/dbraw/zinc/50/73/99/932507399.db2.gz XMKORRXDFPTDBN-KGLIPLIRSA-N 2 1 357.311 3.839 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000581713888 932546443 /nfs/dbraw/zinc/54/64/43/932546443.db2.gz ZHYZYEGXILNPHL-MLGOLLRUSA-N 2 1 357.420 3.530 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000581851292 932739966 /nfs/dbraw/zinc/73/99/66/932739966.db2.gz GLPBYXXZLBWALP-CQSZACIVSA-N 2 1 355.295 3.752 20 0 FHADMP COc1ccc(C[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(OC)cc2)cc1 ZINC000471755166 932797260 /nfs/dbraw/zinc/79/72/60/932797260.db2.gz BQQFLXCLQXZDEC-QFIPXVFZSA-N 2 1 365.477 3.553 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000647200085 932998447 /nfs/dbraw/zinc/99/84/47/932998447.db2.gz HZGZBAGLRAVYDV-ICSRJNTNSA-N 2 1 352.526 3.923 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000647200085 932998451 /nfs/dbraw/zinc/99/84/51/932998451.db2.gz HZGZBAGLRAVYDV-ICSRJNTNSA-N 2 1 352.526 3.923 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000157761319 933028652 /nfs/dbraw/zinc/02/86/52/933028652.db2.gz QBNBQYYRKPDULU-XZOQPEGZSA-N 2 1 368.496 3.952 20 0 FHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCc3c[nH+]cn3C)s2)cc1 ZINC000276716569 933029607 /nfs/dbraw/zinc/02/96/07/933029607.db2.gz WDTTUOUOVNNTQV-ZDUSSCGKSA-N 2 1 356.495 3.754 20 0 FHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751810 933203156 /nfs/dbraw/zinc/20/31/56/933203156.db2.gz CDPUUXDFPFRVJR-MJFSBKNWSA-N 2 1 355.295 3.764 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751810 933203163 /nfs/dbraw/zinc/20/31/63/933203163.db2.gz CDPUUXDFPFRVJR-MJFSBKNWSA-N 2 1 355.295 3.764 20 0 FHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000510554181 933220618 /nfs/dbraw/zinc/22/06/18/933220618.db2.gz XLEUQTKIPNUTQO-YYWHXJBOSA-N 2 1 357.542 3.509 20 0 FHADMP C[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430918464 933405174 /nfs/dbraw/zinc/40/51/74/933405174.db2.gz NAEOYLBCTLLWBU-FQEVSTJZSA-N 2 1 357.586 3.918 20 0 FHADMP C[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430918464 933405180 /nfs/dbraw/zinc/40/51/80/933405180.db2.gz NAEOYLBCTLLWBU-FQEVSTJZSA-N 3 1 357.586 3.918 20 0 FHADMP C[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430918464 933405189 /nfs/dbraw/zinc/40/51/89/933405189.db2.gz NAEOYLBCTLLWBU-FQEVSTJZSA-N 3 1 357.586 3.918 20 0 FHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000430955135 933484062 /nfs/dbraw/zinc/48/40/62/933484062.db2.gz YGZPXMBOVMJPJC-CYBMUJFWSA-N 2 1 365.930 3.935 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430963525 933510283 /nfs/dbraw/zinc/51/02/83/933510283.db2.gz AAKBMXWHLUUSCY-YQVWRLOYSA-N 2 1 351.494 3.740 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430963525 933510284 /nfs/dbraw/zinc/51/02/84/933510284.db2.gz AAKBMXWHLUUSCY-YQVWRLOYSA-N 2 1 351.494 3.740 20 0 FHADMP Cc1cc(OCCC[C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000510721448 933527607 /nfs/dbraw/zinc/52/76/07/933527607.db2.gz MUFCECHHJVPRQH-QGZVFWFLSA-N 2 1 368.949 3.632 20 0 FHADMP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431032412 933708789 /nfs/dbraw/zinc/70/87/89/933708789.db2.gz CKJJBGBDSOEIQM-YSQCGDRGSA-N 2 1 369.553 3.591 20 0 FHADMP CCC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000431083093 933814458 /nfs/dbraw/zinc/81/44/58/933814458.db2.gz XPQPZYYIRKVTSD-CYBMUJFWSA-N 2 1 372.340 3.635 20 0 FHADMP CCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000431083093 933814461 /nfs/dbraw/zinc/81/44/61/933814461.db2.gz XPQPZYYIRKVTSD-CYBMUJFWSA-N 2 1 372.340 3.635 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1 ZINC000510839813 933836979 /nfs/dbraw/zinc/83/69/79/933836979.db2.gz XXDJLNPECOUQTK-OALUTQOASA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000510839813 933836984 /nfs/dbraw/zinc/83/69/84/933836984.db2.gz XXDJLNPECOUQTK-OALUTQOASA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000510839813 933836993 /nfs/dbraw/zinc/83/69/93/933836993.db2.gz XXDJLNPECOUQTK-OALUTQOASA-N 2 1 359.558 3.911 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000092587413 934099392 /nfs/dbraw/zinc/09/93/92/934099392.db2.gz ZYSZEEFIGHWBOG-IYBDPMFKSA-N 2 1 365.587 3.762 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003250 934159589 /nfs/dbraw/zinc/15/95/89/934159589.db2.gz CDBPNZGRKYGHMB-WMQCIHAUSA-N 2 1 366.505 3.930 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000535811446 934403004 /nfs/dbraw/zinc/40/30/04/934403004.db2.gz JLOWJKQWTBPKSW-UHFFFAOYSA-N 2 1 362.468 3.907 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000610814293 934493906 /nfs/dbraw/zinc/49/39/06/934493906.db2.gz FTAUHMZZNWBOBT-XJKSGUPXSA-N 2 1 372.294 3.674 20 0 FHADMP Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)ccc1C[NH+](C)C ZINC000458282102 934581391 /nfs/dbraw/zinc/58/13/91/934581391.db2.gz LTLBZOZETDRHBB-IBGZPJMESA-N 2 1 359.901 3.951 20 0 FHADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000657182847 934667677 /nfs/dbraw/zinc/66/76/77/934667677.db2.gz PNGKGGJKAHTAJF-INIZCTEOSA-N 2 1 352.482 3.655 20 0 FHADMP C[N@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000262005158 934688587 /nfs/dbraw/zinc/68/85/87/934688587.db2.gz UNBFAYYWUGTKNK-UHFFFAOYSA-N 2 1 351.210 3.652 20 0 FHADMP C[N@@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000262005158 934688592 /nfs/dbraw/zinc/68/85/92/934688592.db2.gz UNBFAYYWUGTKNK-UHFFFAOYSA-N 2 1 351.210 3.652 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535898983 934732368 /nfs/dbraw/zinc/73/23/68/934732368.db2.gz QOSJAJFUQRKPKZ-JOCHJYFZSA-N 2 1 371.569 3.722 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000124519098 934831266 /nfs/dbraw/zinc/83/12/66/934831266.db2.gz KYBXFDNJOLVYLR-SFHVURJKSA-N 2 1 367.990 3.740 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000511032978 934974782 /nfs/dbraw/zinc/97/47/82/934974782.db2.gz PITSWESPELWPAR-MRXNPFEDSA-N 2 1 364.287 3.848 20 0 FHADMP C[N@H+](CCOc1ccccc1Br)CC[C@@H]1CCCC[NH+]1C ZINC001167510216 935039552 /nfs/dbraw/zinc/03/95/52/935039552.db2.gz VHMBTJAVISGXNB-HNNXBMFYSA-N 2 1 355.320 3.634 20 0 FHADMP C[N@@H+](CCOc1ccccc1Br)CC[C@@H]1CCCC[NH+]1C ZINC001167510216 935039557 /nfs/dbraw/zinc/03/95/57/935039557.db2.gz VHMBTJAVISGXNB-HNNXBMFYSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1ccccc1Br)CC[C@@H]1CCCC[N@@H+]1C ZINC001167510216 935039563 /nfs/dbraw/zinc/03/95/63/935039563.db2.gz VHMBTJAVISGXNB-HNNXBMFYSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1ccccc1Br)CC[C@@H]1CCCC[N@H+]1C ZINC001167510216 935039569 /nfs/dbraw/zinc/03/95/69/935039569.db2.gz VHMBTJAVISGXNB-HNNXBMFYSA-N 2 1 355.320 3.634 20 0 FHADMP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000277382343 935046720 /nfs/dbraw/zinc/04/67/20/935046720.db2.gz XTRKHTYYOQEPSI-ARFHVFGLSA-N 2 1 359.518 3.670 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000657311648 935105182 /nfs/dbraw/zinc/10/51/82/935105182.db2.gz QINVETXOEATNII-CQSZACIVSA-N 2 1 354.336 3.754 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824964 945080582 /nfs/dbraw/zinc/08/05/82/945080582.db2.gz ACDIUJXCTIGTPI-GAJHUEQPSA-N 2 1 366.505 3.780 20 0 FHADMP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336738 935262100 /nfs/dbraw/zinc/26/21/00/935262100.db2.gz ZQVOXQSOEFKLIH-QFIPXVFZSA-N 2 1 358.526 3.599 20 0 FHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657337496 935262577 /nfs/dbraw/zinc/26/25/77/935262577.db2.gz XHXJEFYAYZOTDY-UHFFFAOYSA-N 2 1 368.399 3.657 20 0 FHADMP COC(=O)c1cc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)oc1C ZINC000292909412 945089842 /nfs/dbraw/zinc/08/98/42/945089842.db2.gz KOTJIHRRMCZGCQ-AWEZNQCLSA-N 2 1 371.481 3.848 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000262072682 935405301 /nfs/dbraw/zinc/40/53/01/935405301.db2.gz SETCFQROAGOBLZ-JOCHJYFZSA-N 2 1 362.477 3.626 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000262072682 935405304 /nfs/dbraw/zinc/40/53/04/935405304.db2.gz SETCFQROAGOBLZ-JOCHJYFZSA-N 2 1 362.477 3.626 20 0 FHADMP CCCCCNC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161194344 935443189 /nfs/dbraw/zinc/44/31/89/935443189.db2.gz SNZFSHYBZMWMDN-GOSISDBHSA-N 2 1 374.573 3.571 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1)c1ccccc1Cl ZINC000427120237 945104840 /nfs/dbraw/zinc/10/48/40/945104840.db2.gz AUHKHWUSEGKKAU-JXFKEZNVSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1)c1ccccc1Cl ZINC000427120237 945104846 /nfs/dbraw/zinc/10/48/46/945104846.db2.gz AUHKHWUSEGKKAU-JXFKEZNVSA-N 2 1 369.896 3.776 20 0 FHADMP CCCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657433247 935723149 /nfs/dbraw/zinc/72/31/49/935723149.db2.gz YSLFWZBNSNLDQO-CEMLEFRQSA-N 2 1 352.526 3.683 20 0 FHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000159151457 935805059 /nfs/dbraw/zinc/80/50/59/935805059.db2.gz YKWMJLRNQNJFOL-OAHLLOKOSA-N 2 1 374.554 3.665 20 0 FHADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000582546258 935812409 /nfs/dbraw/zinc/81/24/09/935812409.db2.gz IOZSALXSDDCQFC-INIZCTEOSA-N 2 1 357.885 3.763 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000582591764 935856024 /nfs/dbraw/zinc/85/60/24/935856024.db2.gz LBOJNTDDNVQFKZ-HUUCEWRRSA-N 2 1 371.447 3.744 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)C[C@H](C)O1 ZINC000684953752 935898708 /nfs/dbraw/zinc/89/87/08/935898708.db2.gz KHINIZBSFBAMLS-KGVIQGDOSA-N 2 1 365.521 3.858 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000075007568 936003116 /nfs/dbraw/zinc/00/31/16/936003116.db2.gz YDEANFUSEGOCET-UHFFFAOYSA-N 2 1 357.498 3.664 20 0 FHADMP c1csc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000075834621 936020365 /nfs/dbraw/zinc/02/03/65/936020365.db2.gz DVVIDXZIQNWHFG-MRXNPFEDSA-N 2 1 360.527 3.539 20 0 FHADMP c1csc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000075834621 936020368 /nfs/dbraw/zinc/02/03/68/936020368.db2.gz DVVIDXZIQNWHFG-MRXNPFEDSA-N 2 1 360.527 3.539 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657572052 936040982 /nfs/dbraw/zinc/04/09/82/936040982.db2.gz GBQWXJWBTYYBJW-KNQAVFIVSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000657572052 936040984 /nfs/dbraw/zinc/04/09/84/936040984.db2.gz GBQWXJWBTYYBJW-KNQAVFIVSA-N 2 1 364.537 3.825 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597312 936072693 /nfs/dbraw/zinc/07/26/93/936072693.db2.gz TVLZFYAWJHTYMQ-HNNXBMFYSA-N 2 1 370.440 3.623 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3Cl)cc2)C1 ZINC000657595314 936075125 /nfs/dbraw/zinc/07/51/25/936075125.db2.gz OOIAYAVUHXFLOT-KRWDZBQOSA-N 2 1 365.304 3.850 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CSC2 ZINC000657641683 936137055 /nfs/dbraw/zinc/13/70/55/936137055.db2.gz JNCYUNINDBCWDL-ZMSDIMECSA-N 2 1 367.356 3.953 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CSC2 ZINC000657641683 936137058 /nfs/dbraw/zinc/13/70/58/936137058.db2.gz JNCYUNINDBCWDL-ZMSDIMECSA-N 2 1 367.356 3.953 20 0 FHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CC1(C)C ZINC000582799736 936139338 /nfs/dbraw/zinc/13/93/38/936139338.db2.gz YBQREPYKSPBGHZ-SESVDKBCSA-N 2 1 356.554 3.939 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2cccc(Br)c2)CC1 ZINC000507339649 945155625 /nfs/dbraw/zinc/15/56/25/945155625.db2.gz JIDHHZBDCNDUTE-UHFFFAOYSA-N 2 1 355.320 3.633 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2cccc(Br)c2)CC1 ZINC000507339649 945155630 /nfs/dbraw/zinc/15/56/30/945155630.db2.gz JIDHHZBDCNDUTE-UHFFFAOYSA-N 2 1 355.320 3.633 20 0 FHADMP Cc1nc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)sc1C ZINC000127736629 938283094 /nfs/dbraw/zinc/28/30/94/938283094.db2.gz IRIQKCPSETTXLH-UHFFFAOYSA-N 2 1 361.530 3.738 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706258 938285492 /nfs/dbraw/zinc/28/54/92/938285492.db2.gz HFWVMPCEOOAJFP-SQWLQELKSA-N 2 1 363.552 3.590 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(OC(F)F)cc1C ZINC000650706584 938286574 /nfs/dbraw/zinc/28/65/74/938286574.db2.gz NZMMPOLIURFXOE-RYQLBKOJSA-N 2 1 368.468 3.623 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163147616 938290776 /nfs/dbraw/zinc/29/07/76/938290776.db2.gz UUGAUCVFOGGFBN-HOCLYGCPSA-N 2 1 366.431 3.716 20 0 FHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCS2 ZINC000427719707 938308792 /nfs/dbraw/zinc/30/87/92/938308792.db2.gz CRMCCWXGYGAFJB-FQEVSTJZSA-N 2 1 361.599 3.704 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000650720502 938309420 /nfs/dbraw/zinc/30/94/20/938309420.db2.gz RISWFHCICBAUDH-UHFFFAOYSA-N 2 1 355.226 3.737 20 0 FHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)c1 ZINC000650723106 938310161 /nfs/dbraw/zinc/31/01/61/938310161.db2.gz HPQKWUPCOUPIDO-CGTJXYLNSA-N 2 1 367.331 3.618 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Br ZINC000650723135 938310214 /nfs/dbraw/zinc/31/02/14/938310214.db2.gz HVSVSHARNSLRLK-JQHSSLGASA-N 2 1 367.331 3.618 20 0 FHADMP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)co2)cc1 ZINC000650723454 938310647 /nfs/dbraw/zinc/31/06/47/938310647.db2.gz OFINAVSCQYBWNE-SXLOBPIMSA-N 2 1 355.482 3.511 20 0 FHADMP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(C(F)F)n1 ZINC000657774307 938317019 /nfs/dbraw/zinc/31/70/19/938317019.db2.gz YJUPGFTVULGBKV-GOSISDBHSA-N 2 1 374.479 3.750 20 0 FHADMP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C(F)F)n1 ZINC000657774307 938317020 /nfs/dbraw/zinc/31/70/20/938317020.db2.gz YJUPGFTVULGBKV-GOSISDBHSA-N 2 1 374.479 3.750 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000728571594 938332953 /nfs/dbraw/zinc/33/29/53/938332953.db2.gz GGYKITJINPLSFT-UHFFFAOYSA-N 2 1 353.510 3.831 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000728571594 938332954 /nfs/dbraw/zinc/33/29/54/938332954.db2.gz GGYKITJINPLSFT-UHFFFAOYSA-N 2 1 353.510 3.831 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583660558 938344933 /nfs/dbraw/zinc/34/49/33/938344933.db2.gz CEIZVNBUFGYQQN-RXVVDRJESA-N 3 1 369.528 3.888 20 0 FHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151090893 938349948 /nfs/dbraw/zinc/34/99/48/938349948.db2.gz QQWVGWSSZHPVBV-GBFLJEJBSA-N 2 1 369.553 3.919 20 0 FHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151090893 938349951 /nfs/dbraw/zinc/34/99/51/938349951.db2.gz QQWVGWSSZHPVBV-GBFLJEJBSA-N 2 1 369.553 3.919 20 0 FHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000151125273 938385551 /nfs/dbraw/zinc/38/55/51/938385551.db2.gz SBWYCBMVTJZNHY-MEDUHNTESA-N 2 1 355.345 3.916 20 0 FHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000151125215 938385682 /nfs/dbraw/zinc/38/56/82/938385682.db2.gz SBWYCBMVTJZNHY-BDJLRTHQSA-N 2 1 355.345 3.916 20 0 FHADMP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)[C@H]21 ZINC000657790730 938387770 /nfs/dbraw/zinc/38/77/70/938387770.db2.gz ZGEHDCYFROQDRD-ZRBLBEILSA-N 2 1 350.481 3.761 20 0 FHADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754472 938408165 /nfs/dbraw/zinc/40/81/65/938408165.db2.gz JVJLMJUFZQIECW-QNWVGRARSA-N 2 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754472 938408168 /nfs/dbraw/zinc/40/81/68/938408168.db2.gz JVJLMJUFZQIECW-QNWVGRARSA-N 3 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754472 938408169 /nfs/dbraw/zinc/40/81/69/938408169.db2.gz JVJLMJUFZQIECW-QNWVGRARSA-N 3 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000650755084 938413046 /nfs/dbraw/zinc/41/30/46/938413046.db2.gz YHFDCEDXQVJDFL-WKCHPHFGSA-N 3 1 353.485 3.570 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000650755084 938413047 /nfs/dbraw/zinc/41/30/47/938413047.db2.gz YHFDCEDXQVJDFL-WKCHPHFGSA-N 3 1 353.485 3.570 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000650755084 938413049 /nfs/dbraw/zinc/41/30/49/938413049.db2.gz YHFDCEDXQVJDFL-WKCHPHFGSA-N 3 1 353.485 3.570 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(Br)c1 ZINC000650755062 938413167 /nfs/dbraw/zinc/41/31/67/938413167.db2.gz XQZUBXLFPVQHJY-NSHDSACASA-N 2 1 367.262 3.906 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795504 938416859 /nfs/dbraw/zinc/41/68/59/938416859.db2.gz KCIXWXNUBPHRFE-UEVCKROQSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657795504 938416862 /nfs/dbraw/zinc/41/68/62/938416862.db2.gz KCIXWXNUBPHRFE-UEVCKROQSA-N 2 1 364.533 3.938 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899943 945178445 /nfs/dbraw/zinc/17/84/45/945178445.db2.gz CVXGXXNYFSQGSD-HXUWFJFHSA-N 2 1 360.933 3.681 20 0 FHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000583942807 938493870 /nfs/dbraw/zinc/49/38/70/938493870.db2.gz PDBQWVCLIFTAEP-UHFFFAOYSA-N 2 1 367.324 3.872 20 0 FHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000583942807 938493873 /nfs/dbraw/zinc/49/38/73/938493873.db2.gz PDBQWVCLIFTAEP-UHFFFAOYSA-N 2 1 367.324 3.872 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cc1OC ZINC000583995064 938525959 /nfs/dbraw/zinc/52/59/59/938525959.db2.gz ZXRJQDDNFKOVFW-QHCPKHFHSA-N 2 1 366.505 3.946 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC23CC3)cc1 ZINC000657816712 938532185 /nfs/dbraw/zinc/53/21/85/938532185.db2.gz ZHUKHTWULHQNIC-QHCPKHFHSA-N 3 1 367.581 3.895 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC23CC3)cc1 ZINC000657816712 938532187 /nfs/dbraw/zinc/53/21/87/938532187.db2.gz ZHUKHTWULHQNIC-QHCPKHFHSA-N 3 1 367.581 3.895 20 0 FHADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151378454 938534987 /nfs/dbraw/zinc/53/49/87/938534987.db2.gz PIVZLLDAAJINMS-MRXNPFEDSA-N 2 1 356.963 3.647 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000080650863 938602978 /nfs/dbraw/zinc/60/29/78/938602978.db2.gz RPAJDCPDKOVTOP-UHFFFAOYSA-N 2 1 363.527 3.726 20 0 FHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc3c1C[N@H+](CCC(C)C)C3)CC2 ZINC000584295682 938675096 /nfs/dbraw/zinc/67/50/96/938675096.db2.gz MHAHHHSYNLDLBL-SFHVURJKSA-N 2 1 366.509 3.754 20 0 FHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc3c1C[N@@H+](CCC(C)C)C3)CC2 ZINC000584295682 938675099 /nfs/dbraw/zinc/67/50/99/938675099.db2.gz MHAHHHSYNLDLBL-SFHVURJKSA-N 2 1 366.509 3.754 20 0 FHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc3c1C[N@H+](CCC(C)C)C3)CC2 ZINC000584295681 938675126 /nfs/dbraw/zinc/67/51/26/938675126.db2.gz MHAHHHSYNLDLBL-GOSISDBHSA-N 2 1 366.509 3.754 20 0 FHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc3c1C[N@@H+](CCC(C)C)C3)CC2 ZINC000584295681 938675127 /nfs/dbraw/zinc/67/51/27/938675127.db2.gz MHAHHHSYNLDLBL-GOSISDBHSA-N 2 1 366.509 3.754 20 0 FHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1C ZINC000657846329 938708299 /nfs/dbraw/zinc/70/82/99/938708299.db2.gz QNGYTOJOCIJWAS-QGZVFWFLSA-N 2 1 350.304 3.955 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000708539722 938814993 /nfs/dbraw/zinc/81/49/93/938814993.db2.gz DXUNRKPWMBQXSR-UZLBHIALSA-N 2 1 364.493 3.836 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408858 938873237 /nfs/dbraw/zinc/87/32/37/938873237.db2.gz NINXDVGHBJOXOQ-FUHWJXTLSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408858 938873241 /nfs/dbraw/zinc/87/32/41/938873241.db2.gz NINXDVGHBJOXOQ-FUHWJXTLSA-N 2 1 359.901 3.757 20 0 FHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccnc1 ZINC000091307332 938899496 /nfs/dbraw/zinc/89/94/96/938899496.db2.gz GCBOIRPJSJVYSQ-PGRDOPGGSA-N 2 1 353.510 3.789 20 0 FHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccnc1 ZINC000091307332 938899500 /nfs/dbraw/zinc/89/95/00/938899500.db2.gz GCBOIRPJSJVYSQ-PGRDOPGGSA-N 2 1 353.510 3.789 20 0 FHADMP COc1ccc(COCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000091740790 938905062 /nfs/dbraw/zinc/90/50/62/938905062.db2.gz KJQYAMZHGRCAKL-UGKGYDQZSA-N 2 1 368.521 3.855 20 0 FHADMP COc1ccc(COCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000091740790 938905064 /nfs/dbraw/zinc/90/50/64/938905064.db2.gz KJQYAMZHGRCAKL-UGKGYDQZSA-N 2 1 368.521 3.855 20 0 FHADMP CC(C)CCn1cccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000092175332 938906282 /nfs/dbraw/zinc/90/62/82/938906282.db2.gz NFLSFSFAHUTPON-HSZRJFAPSA-N 2 1 368.569 3.613 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000708545987 938913550 /nfs/dbraw/zinc/91/35/50/938913550.db2.gz WFVKGCKFHPQVAU-FXAWDEMLSA-N 2 1 354.494 3.562 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708551212 938917899 /nfs/dbraw/zinc/91/78/99/938917899.db2.gz JTLILWLUWBEJNS-PXNSSMCTSA-N 2 1 354.494 3.562 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708551212 938917900 /nfs/dbraw/zinc/91/79/00/938917900.db2.gz JTLILWLUWBEJNS-PXNSSMCTSA-N 2 1 354.494 3.562 20 0 FHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc2c(c1)OCCO2 ZINC000092821722 938921959 /nfs/dbraw/zinc/92/19/59/938921959.db2.gz KZLMDEPSTMAIJP-UHFFFAOYSA-N 2 1 367.493 3.591 20 0 FHADMP CN(C)c1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000093006815 938924912 /nfs/dbraw/zinc/92/49/12/938924912.db2.gz HBZUFLXXOYURPG-UHFFFAOYSA-N 2 1 358.555 3.553 20 0 FHADMP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735111 938929204 /nfs/dbraw/zinc/92/92/04/938929204.db2.gz NIVSIASPXPVHJX-UHFFFAOYSA-N 2 1 374.422 3.921 20 0 FHADMP c1sc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc1-c1ccccc1 ZINC000093735039 938929231 /nfs/dbraw/zinc/92/92/31/938929231.db2.gz RWXIBZLRAJKAOT-UHFFFAOYSA-N 2 1 371.550 3.887 20 0 FHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000148577174 938959877 /nfs/dbraw/zinc/95/98/77/938959877.db2.gz QAUARKMPAYDHOK-OALUTQOASA-N 2 1 357.542 3.523 20 0 FHADMP O[C@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000511271677 938978010 /nfs/dbraw/zinc/97/80/10/938978010.db2.gz MHRARGPKHAVNHT-AJTFCVKESA-N 2 1 370.924 3.813 20 0 FHADMP O[C@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000511271677 938978011 /nfs/dbraw/zinc/97/80/11/938978011.db2.gz MHRARGPKHAVNHT-AJTFCVKESA-N 2 1 370.924 3.813 20 0 FHADMP CN(C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428166 938985360 /nfs/dbraw/zinc/98/53/60/938985360.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 1 372.459 3.547 20 0 FHADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428166 938985361 /nfs/dbraw/zinc/98/53/61/938985361.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 1 372.459 3.547 20 0 FHADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000685428166 938985362 /nfs/dbraw/zinc/98/53/62/938985362.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 1 372.459 3.547 20 0 FHADMP CCOC1CC2(C1)CC[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000685444898 938987023 /nfs/dbraw/zinc/98/70/23/938987023.db2.gz RSOXFXVCZMGCRE-UHFFFAOYSA-N 2 1 358.526 3.552 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685462821 938988731 /nfs/dbraw/zinc/98/87/31/938988731.db2.gz MVTUOQZPRPJBNF-UHFFFAOYSA-N 2 1 367.497 3.756 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685462821 938988732 /nfs/dbraw/zinc/98/87/32/938988732.db2.gz MVTUOQZPRPJBNF-UHFFFAOYSA-N 2 1 367.497 3.756 20 0 FHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431611919 939000588 /nfs/dbraw/zinc/00/05/88/939000588.db2.gz XPMFAYDGFRNOHN-JOCHJYFZSA-N 2 1 369.553 3.696 20 0 FHADMP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000658114108 939024441 /nfs/dbraw/zinc/02/44/41/939024441.db2.gz MHWSRAITXGZAAI-PSRMXOHFSA-N 2 1 374.569 3.585 20 0 FHADMP C[C@H]([NH2+]Cc1cccnc1N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658103736 939026530 /nfs/dbraw/zinc/02/65/30/939026530.db2.gz MCTGZEAQZJJHBS-UGKGYDQZSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@H]([NH2+]Cc1cccnc1N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658103736 939026533 /nfs/dbraw/zinc/02/65/33/939026533.db2.gz MCTGZEAQZJJHBS-UGKGYDQZSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136419 939029963 /nfs/dbraw/zinc/02/99/63/939029963.db2.gz IIIIOQKLBXFGOG-HXOBKFHXSA-N 2 1 350.506 3.981 20 0 FHADMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@H]1c1ccccc1 ZINC000658138059 939040382 /nfs/dbraw/zinc/04/03/82/939040382.db2.gz MKLJYORGODUKBW-XCYUPCBOSA-N 2 1 350.506 3.535 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139552 939042860 /nfs/dbraw/zinc/04/28/60/939042860.db2.gz MZGHPBGPDPLBCK-KXBFYZLASA-N 2 1 367.518 3.714 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140795 939043346 /nfs/dbraw/zinc/04/33/46/939043346.db2.gz RCDAQSVDZNVAGB-SUMWQHHRSA-N 2 1 364.411 3.521 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC(c4ccc(Cl)cc4)C3)cc2)C1 ZINC000658140706 939043357 /nfs/dbraw/zinc/04/33/57/939043357.db2.gz UVLZSTNUHAFOBD-KITAHSCOSA-N 2 1 370.924 3.942 20 0 FHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140832 939043445 /nfs/dbraw/zinc/04/34/45/939043445.db2.gz RDWXIKJZZDGBPP-JBYIUTFZSA-N 2 1 368.521 3.544 20 0 FHADMP CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140516 939043817 /nfs/dbraw/zinc/04/38/17/939043817.db2.gz UUCRSDWIYYWESS-MAUKXSAKSA-N 2 1 359.539 3.684 20 0 FHADMP CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140516 939043821 /nfs/dbraw/zinc/04/38/21/939043821.db2.gz UUCRSDWIYYWESS-MAUKXSAKSA-N 2 1 359.539 3.684 20 0 FHADMP C[C@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000658178762 939050619 /nfs/dbraw/zinc/05/06/19/939050619.db2.gz VFAKCRKKMROFCR-MRXNPFEDSA-N 2 1 360.448 3.986 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658295161 939101366 /nfs/dbraw/zinc/10/13/66/939101366.db2.gz AIIPVULPCFVNGZ-QNGMFEMESA-N 2 1 371.569 3.666 20 0 FHADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316308 939109261 /nfs/dbraw/zinc/10/92/61/939109261.db2.gz DSCFYUADYBXNKG-PZJWPPBQSA-N 2 1 364.537 3.689 20 0 FHADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318658 939110289 /nfs/dbraw/zinc/11/02/89/939110289.db2.gz RLZYJGXXFRZCPN-WOJBJXKFSA-N 2 1 350.510 3.610 20 0 FHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320127 939110436 /nfs/dbraw/zinc/11/04/36/939110436.db2.gz NAPAWWYTTMROSU-YLJYHZDGSA-N 2 1 352.526 3.681 20 0 FHADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319786 939111179 /nfs/dbraw/zinc/11/11/79/939111179.db2.gz IVRRUHQRQAIIGS-FPOVZHCZSA-N 2 1 371.569 3.525 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338594 939116945 /nfs/dbraw/zinc/11/69/45/939116945.db2.gz FQIWGUBGVYPRPK-MWFZDGHISA-N 2 1 364.533 3.936 20 0 FHADMP NC(=O)CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000658341828 939118515 /nfs/dbraw/zinc/11/85/15/939118515.db2.gz AREGLISCNHSTRH-WKCHPHFGSA-N 2 1 369.553 3.598 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364230 939126602 /nfs/dbraw/zinc/12/66/02/939126602.db2.gz YLNSXSJZTXCOHL-MKCQOVQRSA-N 2 1 350.506 3.894 20 0 FHADMP C[C@H](O)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364230 939126605 /nfs/dbraw/zinc/12/66/05/939126605.db2.gz YLNSXSJZTXCOHL-MKCQOVQRSA-N 2 1 350.506 3.894 20 0 FHADMP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000507499286 945269528 /nfs/dbraw/zinc/26/95/28/945269528.db2.gz YIQPLLOXPVGEHP-IACLWVNRSA-N 2 1 364.537 3.867 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427319851 945281624 /nfs/dbraw/zinc/28/16/24/945281624.db2.gz JUMDECQGQOJNCL-HSALFYBXSA-N 2 1 371.569 3.561 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507525202 945302299 /nfs/dbraw/zinc/30/22/99/945302299.db2.gz KAHWDBQJICOJPG-VJBMBRPKSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507525202 945302308 /nfs/dbraw/zinc/30/23/08/945302308.db2.gz KAHWDBQJICOJPG-VJBMBRPKSA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507525202 945302316 /nfs/dbraw/zinc/30/23/16/945302316.db2.gz KAHWDBQJICOJPG-VJBMBRPKSA-N 3 1 353.554 3.504 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497800 940377280 /nfs/dbraw/zinc/37/72/80/940377280.db2.gz WAMATCABUQOASD-UTKZUKDTSA-N 2 1 367.493 3.507 20 0 FHADMP C[N@@H+](CCc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685847990 940456123 /nfs/dbraw/zinc/45/61/23/940456123.db2.gz ICDGTVQDBUQAGM-JOCHJYFZSA-N 2 1 357.586 3.627 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749835 940467301 /nfs/dbraw/zinc/46/73/01/940467301.db2.gz FAJKPYGWXNBFJK-SVFBPWRDSA-N 2 1 363.590 3.658 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749835 940467302 /nfs/dbraw/zinc/46/73/02/940467302.db2.gz FAJKPYGWXNBFJK-SVFBPWRDSA-N 2 1 363.590 3.658 20 0 FHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749835 940467305 /nfs/dbraw/zinc/46/73/05/940467305.db2.gz FAJKPYGWXNBFJK-SVFBPWRDSA-N 2 1 363.590 3.658 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414077422 940483080 /nfs/dbraw/zinc/48/30/80/940483080.db2.gz YYQYOCNMWVURAJ-SFHVURJKSA-N 2 1 372.582 3.878 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414091121 940496190 /nfs/dbraw/zinc/49/61/90/940496190.db2.gz DLMKLYFFYZKQCB-LVCYWYKZSA-N 2 1 353.510 3.521 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414091121 940496191 /nfs/dbraw/zinc/49/61/91/940496191.db2.gz DLMKLYFFYZKQCB-LVCYWYKZSA-N 2 1 353.510 3.521 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000511473229 940505203 /nfs/dbraw/zinc/50/52/03/940505203.db2.gz ICCRALQYJQUDOT-JOCHJYFZSA-N 2 1 365.521 3.533 20 0 FHADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511473229 940505206 /nfs/dbraw/zinc/50/52/06/940505206.db2.gz ICCRALQYJQUDOT-JOCHJYFZSA-N 2 1 365.521 3.533 20 0 FHADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511473229 940505208 /nfs/dbraw/zinc/50/52/08/940505208.db2.gz ICCRALQYJQUDOT-JOCHJYFZSA-N 2 1 365.521 3.533 20 0 FHADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168355 940703956 /nfs/dbraw/zinc/70/39/56/940703956.db2.gz ACDZFIAOHMXSNY-GDBMZVCRSA-N 2 1 361.921 3.612 20 0 FHADMP O=C(C[N@@H+](C1CC1)C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613432539 940704952 /nfs/dbraw/zinc/70/49/52/940704952.db2.gz JKFLKCIMQMKLAQ-UHFFFAOYSA-N 2 1 369.553 3.696 20 0 FHADMP CC(C)N1CCc2nc(CNCc3ccc4ncccc4c3)sc2C1 ZINC000376436098 940995978 /nfs/dbraw/zinc/99/59/78/940995978.db2.gz VHQZPNKXEHQOST-UHFFFAOYSA-N 2 1 352.507 3.748 20 0 FHADMP C[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316064 941012224 /nfs/dbraw/zinc/01/22/24/941012224.db2.gz OELHQJAXCIPWPH-KRWDZBQOSA-N 2 1 356.341 3.598 20 0 FHADMP Cc1cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000176341963 941028373 /nfs/dbraw/zinc/02/83/73/941028373.db2.gz VHZAYIHUDUDBTC-UHFFFAOYSA-N 2 1 371.525 3.593 20 0 FHADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000660664751 945368922 /nfs/dbraw/zinc/36/89/22/945368922.db2.gz SJMLJFVZJDIXNU-QFIPXVFZSA-N 2 1 372.553 3.800 20 0 FHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OCc2ccccn2)c1 ZINC000892632114 941043130 /nfs/dbraw/zinc/04/31/30/941043130.db2.gz RRIWHGDVZNGCOQ-ZNDGOPKYSA-N 2 1 351.494 3.936 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543061 941065077 /nfs/dbraw/zinc/06/50/77/941065077.db2.gz HAKMFNDTIDVTOE-FCHUYYIVSA-N 2 1 366.553 3.760 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)ccn1 ZINC000647543059 941065080 /nfs/dbraw/zinc/06/50/80/941065080.db2.gz HAHDWKTYUAMTOL-VXKWHMMOSA-N 2 1 365.521 3.872 20 0 FHADMP C[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000187078705 941077736 /nfs/dbraw/zinc/07/77/36/941077736.db2.gz UJXBNVXRECHEKV-QYZOEREBSA-N 2 1 363.977 3.934 20 0 FHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000163973456 941104880 /nfs/dbraw/zinc/10/48/80/941104880.db2.gz WKEYHHYTSVAJAG-GOSISDBHSA-N 2 1 372.509 3.928 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)nc1 ZINC000181390716 941149255 /nfs/dbraw/zinc/14/92/55/941149255.db2.gz FPAAAVGAOHBDFP-HOTGVXAUSA-N 2 1 359.901 3.807 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)nc1 ZINC000181390716 941149257 /nfs/dbraw/zinc/14/92/57/941149257.db2.gz FPAAAVGAOHBDFP-HOTGVXAUSA-N 2 1 359.901 3.807 20 0 FHADMP COC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CCOCC1 ZINC000188046895 941298751 /nfs/dbraw/zinc/29/87/51/941298751.db2.gz QCBUDAPYPFMHIA-GHTZIAJQSA-N 2 1 360.542 3.681 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000376832050 941443572 /nfs/dbraw/zinc/44/35/72/941443572.db2.gz UIBXLYKQUQFVQL-XGWLTEMNSA-N 2 1 353.388 3.941 20 0 FHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415042510 941561099 /nfs/dbraw/zinc/56/10/99/941561099.db2.gz SPAMWDGVLZXUGM-KXTWHKPSSA-N 2 1 364.880 3.500 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000460344616 941564508 /nfs/dbraw/zinc/56/45/08/941564508.db2.gz CGIBMQRSOIYDBU-DJJWIGDXSA-N 2 1 371.569 3.522 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000460344616 941564510 /nfs/dbraw/zinc/56/45/10/941564510.db2.gz CGIBMQRSOIYDBU-DJJWIGDXSA-N 2 1 371.569 3.522 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044853 941568430 /nfs/dbraw/zinc/56/84/30/941568430.db2.gz CAVHBJPPRWIEBG-MLGOLLRUSA-N 2 1 357.420 3.530 20 0 FHADMP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000415044681 941568582 /nfs/dbraw/zinc/56/85/82/941568582.db2.gz AXNRVOCMRXZBMH-HSZRJFAPSA-N 3 1 351.538 3.763 20 0 FHADMP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000415044682 941568650 /nfs/dbraw/zinc/56/86/50/941568650.db2.gz AXNRVOCMRXZBMH-QHCPKHFHSA-N 3 1 351.538 3.763 20 0 FHADMP c1sc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1-c1ccccc1 ZINC000415058507 941570700 /nfs/dbraw/zinc/57/07/00/941570700.db2.gz TUZUNDWZRCMSHH-UHFFFAOYSA-N 2 1 355.551 3.721 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058762 941570933 /nfs/dbraw/zinc/57/09/33/941570933.db2.gz WETWCIHSZSRMTK-NQIIRXRSSA-N 2 1 371.550 3.995 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056581 941576343 /nfs/dbraw/zinc/57/63/43/941576343.db2.gz SLRZDLGYGXMIDI-SIKLNZKXSA-N 2 1 351.494 3.625 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689946 941577222 /nfs/dbraw/zinc/57/72/22/941577222.db2.gz UMOFWLAYXZEVLI-MJGOQNOKSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689946 941577224 /nfs/dbraw/zinc/57/72/24/941577224.db2.gz UMOFWLAYXZEVLI-MJGOQNOKSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689946 941577227 /nfs/dbraw/zinc/57/72/27/941577227.db2.gz UMOFWLAYXZEVLI-MJGOQNOKSA-N 2 1 372.488 3.930 20 0 FHADMP Clc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415060660 941579264 /nfs/dbraw/zinc/57/92/64/941579264.db2.gz XFURQYLSZCJTLE-TZWRJOPASA-N 2 1 361.961 3.782 20 0 FHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OCc1cccs1 ZINC000415067473 941582598 /nfs/dbraw/zinc/58/25/98/941582598.db2.gz PMOZXBVBPIGVQY-SFHVURJKSA-N 2 1 360.523 3.943 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000472691842 941584258 /nfs/dbraw/zinc/58/42/58/941584258.db2.gz QKFUNGKXRAAFRD-IBGZPJMESA-N 2 1 353.514 3.526 20 0 FHADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415080458 941590958 /nfs/dbraw/zinc/59/09/58/941590958.db2.gz JKTKSZJPJROVQC-PWRODBHTSA-N 2 1 367.493 3.893 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@H](C)C[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000415097322 941600397 /nfs/dbraw/zinc/60/03/97/941600397.db2.gz CUCYGYMGDOILSP-SJLPKXTDSA-N 2 1 355.482 3.893 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC000415118865 941614488 /nfs/dbraw/zinc/61/44/88/941614488.db2.gz DPYVKSZKDWYBAZ-UKRRQHHQSA-N 2 1 361.288 3.851 20 0 FHADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000511522937 941704895 /nfs/dbraw/zinc/70/48/95/941704895.db2.gz DOZYLXGVDMQGBD-CYVLTUHYSA-N 2 1 360.542 3.715 20 0 FHADMP COCCC[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894213848 941753263 /nfs/dbraw/zinc/75/32/63/941753263.db2.gz DGWJDXOJUQNOCP-UHFFFAOYSA-N 2 1 353.919 3.540 20 0 FHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231110 941788337 /nfs/dbraw/zinc/78/83/37/941788337.db2.gz BTSXYFXVKUEYKU-TZIWHRDSSA-N 2 1 373.585 3.519 20 0 FHADMP Cc1cc([C@@H]2CCC[NH+]2C/C=C/C[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000613675326 941815378 /nfs/dbraw/zinc/81/53/78/941815378.db2.gz ZRHJSMKOONRZRY-ZFRRBFPSSA-N 2 1 356.470 3.810 20 0 FHADMP Cc1cc([C@@H]2CCC[NH+]2C/C=C/C[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000613675326 941815380 /nfs/dbraw/zinc/81/53/80/941815380.db2.gz ZRHJSMKOONRZRY-ZFRRBFPSSA-N 2 1 356.470 3.810 20 0 FHADMP COc1cc([C@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1F ZINC000377709820 941920527 /nfs/dbraw/zinc/92/05/27/941920527.db2.gz VJCPGRUKUVXARV-XERREHJYSA-N 2 1 357.473 3.915 20 0 FHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC000093133180 941942220 /nfs/dbraw/zinc/94/22/20/941942220.db2.gz JEUICAVAFFZZBV-QGZVFWFLSA-N 2 1 373.928 3.812 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000377761122 941967090 /nfs/dbraw/zinc/96/70/90/941967090.db2.gz LGWNIPJPNHSPIW-LAUBAEHRSA-N 2 1 350.466 3.761 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513545353 942005132 /nfs/dbraw/zinc/00/51/32/942005132.db2.gz PVBQHVWRMGQNQD-RXVVDRJESA-N 2 1 366.505 3.848 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415905904 942133987 /nfs/dbraw/zinc/13/39/87/942133987.db2.gz JDBYDUSHAWTVHZ-UTKZUKDTSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415908228 942135976 /nfs/dbraw/zinc/13/59/76/942135976.db2.gz PFPOSFCLEYORNQ-GOSISDBHSA-N 2 1 368.525 3.828 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415912086 942145438 /nfs/dbraw/zinc/14/54/38/942145438.db2.gz ZUZWZRYVMVEZQG-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415912086 942145442 /nfs/dbraw/zinc/14/54/42/942145442.db2.gz ZUZWZRYVMVEZQG-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415924340 942151267 /nfs/dbraw/zinc/15/12/67/942151267.db2.gz WHYJCNPJWDTKOE-AEFFLSMTSA-N 2 1 358.530 3.571 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000415924719 942154134 /nfs/dbraw/zinc/15/41/34/942154134.db2.gz SAVRWQHFKYXXIG-OALUTQOASA-N 2 1 372.900 3.626 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000415924719 942154138 /nfs/dbraw/zinc/15/41/38/942154138.db2.gz SAVRWQHFKYXXIG-OALUTQOASA-N 2 1 372.900 3.626 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994301 942159382 /nfs/dbraw/zinc/15/93/82/942159382.db2.gz MPVXPSSHTRENKV-CEMLEFRQSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000501994301 942159389 /nfs/dbraw/zinc/15/93/89/942159389.db2.gz MPVXPSSHTRENKV-CEMLEFRQSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000501994301 942159394 /nfs/dbraw/zinc/15/93/94/942159394.db2.gz MPVXPSSHTRENKV-CEMLEFRQSA-N 2 1 371.569 3.668 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931339 942166495 /nfs/dbraw/zinc/16/64/95/942166495.db2.gz KTGYNOMTTQRZQE-UTKZUKDTSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415944056 942175517 /nfs/dbraw/zinc/17/55/17/942175517.db2.gz NRFHKETXEQNQAD-CALCHBBNSA-N 2 1 360.546 3.674 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000415947638 942181680 /nfs/dbraw/zinc/18/16/80/942181680.db2.gz WXLVZZFBOBNQKC-UHFFFAOYSA-N 2 1 366.509 3.536 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000415953324 942193551 /nfs/dbraw/zinc/19/35/51/942193551.db2.gz LDFRQDRDEABOSU-GOSISDBHSA-N 2 1 368.525 3.828 20 0 FHADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697679 942204513 /nfs/dbraw/zinc/20/45/13/942204513.db2.gz QNEGVVZQRGFQNF-LRSLUSHPSA-N 2 1 364.537 3.547 20 0 FHADMP CC(C)CCOC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420901505 942245690 /nfs/dbraw/zinc/24/56/90/942245690.db2.gz KGRYOMUSQPHOJE-UHFFFAOYSA-N 2 1 360.542 3.546 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000501005908 942254620 /nfs/dbraw/zinc/25/46/20/942254620.db2.gz FYPWGRRPHLAVPQ-UHFFFAOYSA-N 2 1 361.961 3.845 20 0 FHADMP C[N@@H+](CCCOc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501035643 942278107 /nfs/dbraw/zinc/27/81/07/942278107.db2.gz XSDHCLGOUDENLK-UHFFFAOYSA-N 2 1 357.473 3.838 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000420983769 942282124 /nfs/dbraw/zinc/28/21/24/942282124.db2.gz ROUQTVWPNRZTGU-HWKANZROSA-N 2 1 361.961 3.845 20 0 FHADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420973404 942286117 /nfs/dbraw/zinc/28/61/17/942286117.db2.gz CIDCRWSOKLVGJB-UHFFFAOYSA-N 2 1 372.601 3.759 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000421011255 942291015 /nfs/dbraw/zinc/29/10/15/942291015.db2.gz OYUKETVREKIRMJ-UHFFFAOYSA-N 2 1 373.585 3.564 20 0 FHADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335644 /nfs/dbraw/zinc/33/56/44/942335644.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335646 /nfs/dbraw/zinc/33/56/46/942335646.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 2 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335651 /nfs/dbraw/zinc/33/56/51/942335651.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 2 1 355.570 3.751 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335657 /nfs/dbraw/zinc/33/56/57/942335657.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 3 1 355.570 3.751 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335661 /nfs/dbraw/zinc/33/56/61/942335661.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335664 /nfs/dbraw/zinc/33/56/64/942335664.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 3 1 355.570 3.751 20 0 FHADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335667 /nfs/dbraw/zinc/33/56/67/942335667.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 3 1 355.570 3.751 20 0 FHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292506 942337021 /nfs/dbraw/zinc/33/70/21/942337021.db2.gz XEMFHKGMQBKXNO-FXAWDEMLSA-N 2 1 360.542 3.797 20 0 FHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292506 942337028 /nfs/dbraw/zinc/33/70/28/942337028.db2.gz XEMFHKGMQBKXNO-FXAWDEMLSA-N 2 1 360.542 3.797 20 0 FHADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000502324892 942355911 /nfs/dbraw/zinc/35/59/11/942355911.db2.gz FTOFWKGIYPMPGX-INIZCTEOSA-N 2 1 373.570 3.902 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501285807 942388637 /nfs/dbraw/zinc/38/86/37/942388637.db2.gz RGUMXTXVJRXQTA-BAGYTPMASA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000501285807 942388642 /nfs/dbraw/zinc/38/86/42/942388642.db2.gz RGUMXTXVJRXQTA-BAGYTPMASA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000501285807 942388646 /nfs/dbraw/zinc/38/86/46/942388646.db2.gz RGUMXTXVJRXQTA-BAGYTPMASA-N 2 1 371.569 3.935 20 0 FHADMP [NH3+]CCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378203387 942393005 /nfs/dbraw/zinc/39/30/05/942393005.db2.gz QDNGSWAFAISLPS-SFTDATJTSA-N 2 1 357.542 3.551 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501408204 942464487 /nfs/dbraw/zinc/46/44/87/942464487.db2.gz ASFWUROAKJZSTM-JTQLQIEISA-N 2 1 358.230 3.658 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374096 942525976 /nfs/dbraw/zinc/52/59/76/942525976.db2.gz NKNHUGOLKUHTBC-BJKOFHAPSA-N 2 1 369.597 3.989 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000421375914 942526473 /nfs/dbraw/zinc/52/64/73/942526473.db2.gz PIPMIDOGJXRJOT-NRFANRHFSA-N 2 1 357.586 3.747 20 0 FHADMP c1sc(-c2ccccc2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819395 942537618 /nfs/dbraw/zinc/53/76/18/942537618.db2.gz WALBLNOFZFWVNJ-UHFFFAOYSA-N 2 1 371.550 3.744 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513919923 942595194 /nfs/dbraw/zinc/59/51/94/942595194.db2.gz HAYZTQMWHPEQOR-MJGOQNOKSA-N 2 1 359.558 3.570 20 0 FHADMP CC1CC[NH+](CC2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)CC1 ZINC000378331199 942595432 /nfs/dbraw/zinc/59/54/32/942595432.db2.gz ITIAWRPMMLWXJA-LJQANCHMSA-N 2 1 363.571 3.939 20 0 FHADMP CCc1csc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323067 942608866 /nfs/dbraw/zinc/60/88/66/942608866.db2.gz TVMHGLYSKMLBLT-IRXDYDNUSA-N 2 1 359.539 3.636 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000420299597 942609805 /nfs/dbraw/zinc/60/98/05/942609805.db2.gz JBIJDYXZRDTNLU-QFIPXVFZSA-N 2 1 368.521 3.666 20 0 FHADMP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299284 942610144 /nfs/dbraw/zinc/61/01/44/942610144.db2.gz IQDRXFVJICJMRT-XJKSGUPXSA-N 2 1 353.304 3.594 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420300077 942611197 /nfs/dbraw/zinc/61/11/97/942611197.db2.gz HBBFRHQSQKXZOW-GAJHUEQPSA-N 2 1 366.505 3.651 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420305133 942612703 /nfs/dbraw/zinc/61/27/03/942612703.db2.gz GAATUOZURSMELL-SFHVURJKSA-N 2 1 358.555 3.541 20 0 FHADMP FC1(F)CCC[C@@H](C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000420307535 942612855 /nfs/dbraw/zinc/61/28/55/942612855.db2.gz IZHOVMYUKRAMEZ-CABCVRRESA-N 2 1 355.498 3.913 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420305129 942612913 /nfs/dbraw/zinc/61/29/13/942612913.db2.gz GAATUOZURSMELL-GOSISDBHSA-N 2 1 358.555 3.541 20 0 FHADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309434 942614755 /nfs/dbraw/zinc/61/47/55/942614755.db2.gz TWONMJYDOXUYDJ-FQEVSTJZSA-N 2 1 352.522 3.850 20 0 FHADMP COc1cc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420318251 942620199 /nfs/dbraw/zinc/62/01/99/942620199.db2.gz OETKHIIDHWFPFL-CQSZACIVSA-N 2 1 354.441 3.651 20 0 FHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340184 942623732 /nfs/dbraw/zinc/62/37/32/942623732.db2.gz MTDUBIPXOZSIRM-GBESFXJTSA-N 2 1 357.542 3.767 20 0 FHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420324762 942628727 /nfs/dbraw/zinc/62/87/27/942628727.db2.gz AZTOGRRXEDGPQV-CALCHBBNSA-N 2 1 356.901 3.537 20 0 FHADMP CC(C)(C)[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1F ZINC000420407227 942664206 /nfs/dbraw/zinc/66/42/06/942664206.db2.gz OHFNAKQPMFWNPJ-SLFFLAALSA-N 2 1 362.464 3.573 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420408405 942664322 /nfs/dbraw/zinc/66/43/22/942664322.db2.gz WGFILJUJWIFECC-WOJBJXKFSA-N 2 1 360.505 3.965 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409524 942665271 /nfs/dbraw/zinc/66/52/71/942665271.db2.gz XESHWCGJWBTYSZ-CXAGYDPISA-N 2 1 370.324 3.786 20 0 FHADMP CCC[N@H+](CCSC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514073850 942718569 /nfs/dbraw/zinc/71/85/69/942718569.db2.gz DSPMWNYTJSMUCF-UHFFFAOYSA-N 2 1 350.576 3.916 20 0 FHADMP CCC[N@@H+](CCSC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514073850 942718572 /nfs/dbraw/zinc/71/85/72/942718572.db2.gz DSPMWNYTJSMUCF-UHFFFAOYSA-N 2 1 350.576 3.916 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405661 942732191 /nfs/dbraw/zinc/73/21/91/942732191.db2.gz SAVJAEMZWFJMJR-KCUHQSDYSA-N 2 1 366.933 3.507 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758265 /nfs/dbraw/zinc/75/82/65/942758265.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@@H+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758269 /nfs/dbraw/zinc/75/82/69/942758269.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@H+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758274 /nfs/dbraw/zinc/75/82/74/942758274.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758281 /nfs/dbraw/zinc/75/82/81/942758281.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758286 /nfs/dbraw/zinc/75/82/86/942758286.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758290 /nfs/dbraw/zinc/75/82/90/942758290.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@H+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758294 /nfs/dbraw/zinc/75/82/94/942758294.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 3 1 367.581 3.894 20 0 FHADMP Cc1cc(C(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000434590294 942773170 /nfs/dbraw/zinc/77/31/70/942773170.db2.gz ZYWZCYNXNQCMHF-SFHVURJKSA-N 2 1 371.525 3.591 20 0 FHADMP COc1ccc(C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1Cl ZINC000414548789 942773802 /nfs/dbraw/zinc/77/38/02/942773802.db2.gz KMCYTGDPJBOTPM-UHFFFAOYSA-N 2 1 356.857 3.870 20 0 FHADMP COc1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1Cl ZINC000414548789 942773804 /nfs/dbraw/zinc/77/38/04/942773804.db2.gz KMCYTGDPJBOTPM-UHFFFAOYSA-N 2 1 356.857 3.870 20 0 FHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000514136803 942774827 /nfs/dbraw/zinc/77/48/27/942774827.db2.gz BBPTUJVCUAWINN-CTNGQTDRSA-N 2 1 374.573 3.552 20 0 FHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000502844271 942791980 /nfs/dbraw/zinc/79/19/80/942791980.db2.gz WWOXPAUFIDHIQO-GOSISDBHSA-N 2 1 374.573 3.680 20 0 FHADMP CCOc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434661611 942845542 /nfs/dbraw/zinc/84/55/42/942845542.db2.gz FZEQIZFEMJMHSH-UHFFFAOYSA-N 2 1 369.509 3.877 20 0 FHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686032 942864167 /nfs/dbraw/zinc/86/41/67/942864167.db2.gz SWRJAYFWSGCTFQ-KZNAEPCWSA-N 2 1 372.557 3.577 20 0 FHADMP COC1([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421871213 942869826 /nfs/dbraw/zinc/86/98/26/942869826.db2.gz TVNJBTHQLHECTA-PELRDEGISA-N 2 1 360.542 3.603 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000510004479 942902308 /nfs/dbraw/zinc/90/23/08/942902308.db2.gz FKKSUFCJESLZFR-UHFFFAOYSA-N 2 1 365.525 3.914 20 0 FHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000582050937 942916251 /nfs/dbraw/zinc/91/62/51/942916251.db2.gz QVDJKTDFGIIZSF-DNVCBOLYSA-N 2 1 370.522 3.556 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503048264 942939426 /nfs/dbraw/zinc/93/94/26/942939426.db2.gz BBIOIQJZFNXPJA-GUDVDZBRSA-N 2 1 374.573 3.535 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@@H]12 ZINC000503078926 942961054 /nfs/dbraw/zinc/96/10/54/942961054.db2.gz BKKVRRFFGZWNSN-HQZQWKOLSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000503078926 942961058 /nfs/dbraw/zinc/96/10/58/942961058.db2.gz BKKVRRFFGZWNSN-HQZQWKOLSA-N 2 1 363.590 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000503078926 942961066 /nfs/dbraw/zinc/96/10/66/942961066.db2.gz BKKVRRFFGZWNSN-HQZQWKOLSA-N 2 1 363.590 3.655 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271856066 943061426 /nfs/dbraw/zinc/06/14/26/943061426.db2.gz UVJGOWJAVRUXLX-UHFFFAOYSA-N 2 1 368.525 3.665 20 0 FHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000414659100 943127177 /nfs/dbraw/zinc/12/71/77/943127177.db2.gz RTPHSVDYXZCRJA-GFCCVEGCSA-N 2 1 351.313 3.958 20 0 FHADMP c1[nH+]c(C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)n2c1CCCC2 ZINC000435062287 943135157 /nfs/dbraw/zinc/13/51/57/943135157.db2.gz YRDAFXBCOOJYBK-UHFFFAOYSA-N 2 1 367.493 3.760 20 0 FHADMP Cn1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000514602047 943141021 /nfs/dbraw/zinc/14/10/21/943141021.db2.gz DSGALXZFUKKYAM-FQEVSTJZSA-N 2 1 374.532 3.903 20 0 FHADMP Cn1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000514602047 943141023 /nfs/dbraw/zinc/14/10/23/943141023.db2.gz DSGALXZFUKKYAM-FQEVSTJZSA-N 2 1 374.532 3.903 20 0 FHADMP COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)C3CC[NH2+]CC3)cc2)c1 ZINC000414662625 943146941 /nfs/dbraw/zinc/14/69/41/943146941.db2.gz ZIFJWPMMMIGCFY-UHFFFAOYSA-N 2 1 356.466 3.680 20 0 FHADMP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392761 943149095 /nfs/dbraw/zinc/14/90/95/943149095.db2.gz YFIASHPIRTXXAX-HKUYNNGSSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664865 943155873 /nfs/dbraw/zinc/15/58/73/943155873.db2.gz UJSOCIREMOLDBY-CABCVRRESA-N 2 1 360.933 3.992 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674913 943200402 /nfs/dbraw/zinc/20/04/02/943200402.db2.gz SJPYTFYPDHVPQZ-YSSFQJQWSA-N 2 1 358.917 3.702 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1 ZINC000414676243 943208336 /nfs/dbraw/zinc/20/83/36/943208336.db2.gz RYOKHSHTVHDANP-IBGZPJMESA-N 2 1 360.505 3.889 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733771 943212253 /nfs/dbraw/zinc/21/22/53/943212253.db2.gz JHUWWUBRWTZTHQ-FCHUYYIVSA-N 2 1 354.469 3.633 20 0 FHADMP Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422709235 943242220 /nfs/dbraw/zinc/24/22/20/943242220.db2.gz DEDHGQFVSZFGPM-KXZRCVDZSA-N 2 1 364.468 3.789 20 0 FHADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)c1 ZINC000422733585 943250948 /nfs/dbraw/zinc/25/09/48/943250948.db2.gz BKBGFEXXSCSDDR-PKTZIBPZSA-N 2 1 367.537 3.730 20 0 FHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422715899 943254767 /nfs/dbraw/zinc/25/47/67/943254767.db2.gz SUXZPLPOMNPYIA-IEBWSBKVSA-N 2 1 366.509 3.734 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC3 ZINC000273002325 943259125 /nfs/dbraw/zinc/25/91/25/943259125.db2.gz XWGHCEYRBGKTOH-MGNMYUMUSA-N 2 1 353.510 3.639 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC3 ZINC000273002325 943259132 /nfs/dbraw/zinc/25/91/32/943259132.db2.gz XWGHCEYRBGKTOH-MGNMYUMUSA-N 2 1 353.510 3.639 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422726232 943260729 /nfs/dbraw/zinc/26/07/29/943260729.db2.gz ZKBADPGFKAMHFO-FDDCHVKYSA-N 2 1 361.489 3.709 20 0 FHADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757811 943262265 /nfs/dbraw/zinc/26/22/65/943262265.db2.gz MZBYGCNZSDKACO-ODAXIHTASA-N 2 1 371.569 3.733 20 0 FHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744044 943267887 /nfs/dbraw/zinc/26/78/87/943267887.db2.gz JRAUGNUAQDXQPF-NMIHRBCNSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000505636906 943270661 /nfs/dbraw/zinc/27/06/61/943270661.db2.gz QEYFOLVIKRVTCE-BEVDRBHNSA-N 2 1 373.928 3.750 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)cc1 ZINC000422777619 943279088 /nfs/dbraw/zinc/27/90/88/943279088.db2.gz FVUVYARBHBNBKN-DHIUTWEWSA-N 2 1 365.521 3.642 20 0 FHADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)c2ccccc21 ZINC000422808175 943289925 /nfs/dbraw/zinc/28/99/25/943289925.db2.gz APFOXJZGCAQBKV-QZTJIDSGSA-N 2 1 350.384 4.000 20 0 FHADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1Br ZINC000422880076 943315176 /nfs/dbraw/zinc/31/51/76/943315176.db2.gz NDOSNOKXEIEJQL-DYVFJYSZSA-N 2 1 363.299 3.506 20 0 FHADMP C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889986 943319334 /nfs/dbraw/zinc/31/93/34/943319334.db2.gz HECBQSXPRGKIAD-KSZLIROESA-N 2 1 352.526 3.823 20 0 FHADMP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422869453 943320806 /nfs/dbraw/zinc/32/08/06/943320806.db2.gz ACUKQNXEJCVYHT-NJDAHSKKSA-N 2 1 360.542 3.811 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000422922726 943332710 /nfs/dbraw/zinc/33/27/10/943332710.db2.gz UFLCATWEQYJEDE-BMIGLBTASA-N 2 1 352.265 3.940 20 0 FHADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422938664 943338880 /nfs/dbraw/zinc/33/88/80/943338880.db2.gz DVRGXNBVSAYAMD-HFBAOOFYSA-N 2 1 365.930 3.614 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414705502 943339486 /nfs/dbraw/zinc/33/94/86/943339486.db2.gz FEMYQCJDRAXZOL-SFHVURJKSA-N 2 1 372.557 3.962 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942478 943340185 /nfs/dbraw/zinc/34/01/85/943340185.db2.gz KKJYLGPKLUWDLB-KXBFYZLASA-N 2 1 359.901 3.607 20 0 FHADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)CC1 ZINC000584670894 943358848 /nfs/dbraw/zinc/35/88/48/943358848.db2.gz WUKUGOICKLDSLR-YPAWHYETSA-N 2 1 356.558 3.502 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435379131 943369149 /nfs/dbraw/zinc/36/91/49/943369149.db2.gz LBTCEFABCXZWSA-WMLDXEAASA-N 2 1 360.933 3.761 20 0 FHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000435381696 943369405 /nfs/dbraw/zinc/36/94/05/943369405.db2.gz VITGFUUEAUXWGD-FFZOFVMBSA-N 2 1 369.896 3.761 20 0 FHADMP COc1c(C)cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435387142 943374996 /nfs/dbraw/zinc/37/49/96/943374996.db2.gz XKKYREWLTCCVEA-NRFANRHFSA-N 2 1 353.510 3.851 20 0 FHADMP COc1c(C)cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435387142 943375005 /nfs/dbraw/zinc/37/50/05/943375005.db2.gz XKKYREWLTCCVEA-NRFANRHFSA-N 2 1 353.510 3.851 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435390452 943376818 /nfs/dbraw/zinc/37/68/18/943376818.db2.gz PHYWFQAKKWNJHS-KRWDZBQOSA-N 2 1 354.494 3.802 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435390452 943376824 /nfs/dbraw/zinc/37/68/24/943376824.db2.gz PHYWFQAKKWNJHS-KRWDZBQOSA-N 2 1 354.494 3.802 20 0 FHADMP CC(C)(C)n1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430980 943395476 /nfs/dbraw/zinc/39/54/76/943395476.db2.gz GJUOQULOCSYMPG-SFHVURJKSA-N 2 1 358.555 3.844 20 0 FHADMP CC(C)(C)n1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430980 943395479 /nfs/dbraw/zinc/39/54/79/943395479.db2.gz GJUOQULOCSYMPG-SFHVURJKSA-N 2 1 358.555 3.844 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423120446 943396940 /nfs/dbraw/zinc/39/69/40/943396940.db2.gz GRQJFVBKRZMEML-SNRMKQJTSA-N 2 1 350.428 3.956 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423120447 943397142 /nfs/dbraw/zinc/39/71/42/943397142.db2.gz GRQJFVBKRZMEML-ZYSHUDEJSA-N 2 1 350.428 3.956 20 0 FHADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423104794 943401905 /nfs/dbraw/zinc/40/19/05/943401905.db2.gz MRNDSXJGGOKJJR-QHAWAJNXSA-N 2 1 351.494 3.671 20 0 FHADMP c1cc(C[N@@H+](Cc2cccc3c2OCCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425086 943405247 /nfs/dbraw/zinc/40/52/47/943405247.db2.gz BQOSYQFQSHOSMT-IBGZPJMESA-N 2 1 370.518 3.664 20 0 FHADMP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414718601 943406664 /nfs/dbraw/zinc/40/66/64/943406664.db2.gz WGUMTVLQEIHYMF-NRFANRHFSA-N 2 1 360.546 3.946 20 0 FHADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503919728 943407889 /nfs/dbraw/zinc/40/78/89/943407889.db2.gz IPOJLJGLABJMDK-BMSWRWNDSA-N 2 1 350.453 3.932 20 0 FHADMP Cc1cccn2c(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cnc12 ZINC000435430680 943408685 /nfs/dbraw/zinc/40/86/85/943408685.db2.gz DRYWWGNBEWNPCF-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP Cc1cccn2c(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cnc12 ZINC000435430680 943408688 /nfs/dbraw/zinc/40/86/88/943408688.db2.gz DRYWWGNBEWNPCF-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP Cc1ccc2ncc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n2c1 ZINC000435429186 943408923 /nfs/dbraw/zinc/40/89/23/943408923.db2.gz WJCUVRBEYWFFGR-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP Cc1ccc2ncc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n2c1 ZINC000435429186 943408927 /nfs/dbraw/zinc/40/89/27/943408927.db2.gz WJCUVRBEYWFFGR-LJQANCHMSA-N 2 1 366.534 3.849 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000414719212 943413167 /nfs/dbraw/zinc/41/31/67/943413167.db2.gz XRWFNZHOVOFDSK-KDURUIRLSA-N 2 1 370.541 3.809 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143552 943418495 /nfs/dbraw/zinc/41/84/95/943418495.db2.gz XFAVRNPRJAJURW-WIYYLYMNSA-N 3 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143552 943418498 /nfs/dbraw/zinc/41/84/98/943418498.db2.gz XFAVRNPRJAJURW-WIYYLYMNSA-N 2 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143552 943418503 /nfs/dbraw/zinc/41/85/03/943418503.db2.gz XFAVRNPRJAJURW-WIYYLYMNSA-N 2 1 366.553 3.802 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3ccccc3n2)CC1)CC1CC1 ZINC000660168419 943419789 /nfs/dbraw/zinc/41/97/89/943419789.db2.gz QATRZCRQFAKKQW-UHFFFAOYSA-N 2 1 352.526 3.964 20 0 FHADMP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423181830 943430580 /nfs/dbraw/zinc/43/05/80/943430580.db2.gz DCJJGZZFUKNLTJ-SFHVURJKSA-N 2 1 360.299 3.601 20 0 FHADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423209236 943432254 /nfs/dbraw/zinc/43/22/54/943432254.db2.gz IPBFUQAZRXGZBB-SUMWQHHRSA-N 2 1 355.320 3.744 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)s1 ZINC000423189024 943435646 /nfs/dbraw/zinc/43/56/46/943435646.db2.gz OLNUHZQBZRYLNL-GFCCVEGCSA-N 2 1 354.317 3.736 20 0 FHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)c(F)c1 ZINC000423194186 943437783 /nfs/dbraw/zinc/43/77/83/943437783.db2.gz YIJKWXUFMWXZRF-ZDUSSCGKSA-N 2 1 366.278 3.814 20 0 FHADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423281705 943470524 /nfs/dbraw/zinc/47/05/24/943470524.db2.gz UMIHLXSTCIYHPV-AMIZOPFISA-N 2 1 351.210 3.856 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423319817 943474529 /nfs/dbraw/zinc/47/45/29/943474529.db2.gz FOKRNTABQJHDDW-AMIZOPFISA-N 2 1 362.109 3.526 20 0 FHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414734825 943485814 /nfs/dbraw/zinc/48/58/14/943485814.db2.gz LFKDZTSYZQRKIU-KRWDZBQOSA-N 2 1 353.514 3.621 20 0 FHADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000423354649 943488444 /nfs/dbraw/zinc/48/84/44/943488444.db2.gz NTCYVMPDJSGPKD-UTKZUKDTSA-N 2 1 359.558 3.687 20 0 FHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423371611 943495023 /nfs/dbraw/zinc/49/50/23/943495023.db2.gz HQQSGIXEZLXQMJ-JOCBIADPSA-N 2 1 350.478 3.565 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417320137 943513531 /nfs/dbraw/zinc/51/35/31/943513531.db2.gz IYVLMKIYGZLCNX-FFZOFVMBSA-N 2 1 356.535 3.862 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423464295 943523264 /nfs/dbraw/zinc/52/32/64/943523264.db2.gz QRLJBXCRTPXAFK-LEDKUEGHSA-N 2 1 353.554 3.535 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423464295 943523267 /nfs/dbraw/zinc/52/32/67/943523267.db2.gz QRLJBXCRTPXAFK-LEDKUEGHSA-N 2 1 353.554 3.535 20 0 FHADMP Cc1c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508485 943532345 /nfs/dbraw/zinc/53/23/45/943532345.db2.gz QWNJAIJUNIVSAK-FOIQADDNSA-N 2 1 367.472 3.846 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423495329 943536849 /nfs/dbraw/zinc/53/68/49/943536849.db2.gz BSRNTSGSZWBQEV-JMUQELJHSA-N 2 1 351.538 3.749 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423495331 943537060 /nfs/dbraw/zinc/53/70/60/943537060.db2.gz BSRNTSGSZWBQEV-RZFNWQHOSA-N 2 1 351.538 3.749 20 0 FHADMP C[C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1Cc1ccccc1 ZINC000423530969 943538431 /nfs/dbraw/zinc/53/84/31/943538431.db2.gz RYPFMRCCFTVPFI-OPAUWTDSSA-N 2 1 367.581 3.783 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423517480 943543515 /nfs/dbraw/zinc/54/35/15/943543515.db2.gz YXEINCAXYZOWQD-YSZBQJHXSA-N 2 1 351.538 3.749 20 0 FHADMP Cc1ccccc1OCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682202 943543834 /nfs/dbraw/zinc/54/38/34/943543834.db2.gz DHBQZYMDCCFHHZ-IBGZPJMESA-N 2 1 371.550 3.865 20 0 FHADMP Cc1ccccc1OCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682202 943543839 /nfs/dbraw/zinc/54/38/39/943543839.db2.gz DHBQZYMDCCFHHZ-IBGZPJMESA-N 2 1 371.550 3.865 20 0 FHADMP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423519781 943544058 /nfs/dbraw/zinc/54/40/58/943544058.db2.gz DPQOPBBOGVEXSY-RKWZGBHDSA-N 2 1 367.581 3.640 20 0 FHADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523004 943545502 /nfs/dbraw/zinc/54/55/02/943545502.db2.gz VETMHMGSLAOXIG-PMOQBDJRSA-N 3 1 351.538 3.967 20 0 FHADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423523004 943545505 /nfs/dbraw/zinc/54/55/05/943545505.db2.gz VETMHMGSLAOXIG-PMOQBDJRSA-N 2 1 351.538 3.967 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423538025 943551170 /nfs/dbraw/zinc/55/11/70/943551170.db2.gz LVOFVCXVRUAQLU-YTFSRNRJSA-N 3 1 353.554 3.577 20 0 FHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000423541780 943551827 /nfs/dbraw/zinc/55/18/27/943551827.db2.gz AWLXVDDWBQPISP-MRXNPFEDSA-N 2 1 359.464 3.609 20 0 FHADMP Cc1cccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435691187 943559157 /nfs/dbraw/zinc/55/91/57/943559157.db2.gz FLCANQFFMMJCGR-IBGZPJMESA-N 2 1 369.534 3.639 20 0 FHADMP Cc1cccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435691187 943559160 /nfs/dbraw/zinc/55/91/60/943559160.db2.gz FLCANQFFMMJCGR-IBGZPJMESA-N 2 1 369.534 3.639 20 0 FHADMP CCn1ccnc1C[N@@H+](CCCc1ccccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693943 943559911 /nfs/dbraw/zinc/55/99/11/943559911.db2.gz WKILWFLQPAWNBG-OAQYLSRUSA-N 2 1 366.553 3.788 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CCCC2 ZINC000515208169 943567463 /nfs/dbraw/zinc/56/74/63/943567463.db2.gz RKIRSDGXOGOABX-FDFHNCONSA-N 2 1 364.537 3.752 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CCCC2 ZINC000515208169 943567465 /nfs/dbraw/zinc/56/74/65/943567465.db2.gz RKIRSDGXOGOABX-FDFHNCONSA-N 2 1 364.537 3.752 20 0 FHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414753909 943580817 /nfs/dbraw/zinc/58/08/17/943580817.db2.gz RIQMLMMWLXESMJ-HXUWFJFHSA-N 2 1 354.542 3.803 20 0 FHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414753909 943580824 /nfs/dbraw/zinc/58/08/24/943580824.db2.gz RIQMLMMWLXESMJ-HXUWFJFHSA-N 2 1 354.542 3.803 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000435733718 943587398 /nfs/dbraw/zinc/58/73/98/943587398.db2.gz CRLWVQUXPDIKEB-RTWAWAEBSA-N 2 1 371.569 3.525 20 0 FHADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549475057 943741419 /nfs/dbraw/zinc/74/14/19/943741419.db2.gz CEINWNYWAPYGCX-BPAFIMBUSA-N 2 1 369.475 3.703 20 0 FHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000435785602 943770595 /nfs/dbraw/zinc/77/05/95/943770595.db2.gz PANJPNGXMZAALJ-UHFFFAOYSA-N 2 1 350.510 3.956 20 0 FHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777385 943784638 /nfs/dbraw/zinc/78/46/38/943784638.db2.gz IGDBOFPNVOTSDB-HOTGVXAUSA-N 2 1 358.917 3.562 20 0 FHADMP c1c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc2ccccn12 ZINC000516926446 943833641 /nfs/dbraw/zinc/83/36/41/943833641.db2.gz NCXIAPKFWKJSBY-FQEVSTJZSA-N 2 1 360.505 3.664 20 0 FHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc2ccccn12 ZINC000516926446 943833646 /nfs/dbraw/zinc/83/36/46/943833646.db2.gz NCXIAPKFWKJSBY-FQEVSTJZSA-N 2 1 360.505 3.664 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)C[C@H](C)O1 ZINC000424306233 943853063 /nfs/dbraw/zinc/85/30/63/943853063.db2.gz USOSHOLRBXGFFT-WSTZPKSXSA-N 2 1 373.566 3.906 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414906451 943855528 /nfs/dbraw/zinc/85/55/28/943855528.db2.gz PQXYXVKLQMPHOL-HKUYNNGSSA-N 2 1 369.513 3.694 20 0 FHADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000424365669 943878074 /nfs/dbraw/zinc/87/80/74/943878074.db2.gz HJVLLLDIWQAYKD-RTBURBONSA-N 2 1 357.885 3.952 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785580 943881061 /nfs/dbraw/zinc/88/10/61/943881061.db2.gz SVGGZFPHGMAOOV-WOJBJXKFSA-N 2 1 351.494 3.579 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000516979991 943881430 /nfs/dbraw/zinc/88/14/30/943881430.db2.gz UGEFMJBHTYNYIS-NQIIRXRSSA-N 2 1 363.590 3.610 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1)CC1CC1 ZINC000424424362 943900578 /nfs/dbraw/zinc/90/05/78/943900578.db2.gz HMZCTTYQTQBXRG-UHFFFAOYSA-N 2 1 372.557 3.820 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000424431718 943925311 /nfs/dbraw/zinc/92/53/11/943925311.db2.gz GJLYKFRNRXVKFS-ZWKOTPCHSA-N 2 1 358.530 3.572 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000517025020 943925536 /nfs/dbraw/zinc/92/55/36/943925536.db2.gz HQABNMVSPIKPCG-UHFFFAOYSA-N 2 1 361.436 3.535 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000424431717 943925813 /nfs/dbraw/zinc/92/58/13/943925813.db2.gz GJLYKFRNRXVKFS-ROUUACIJSA-N 2 1 358.530 3.572 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044845 943946994 /nfs/dbraw/zinc/94/69/94/943946994.db2.gz KESLRPYMJBEPJL-MSOLQXFVSA-N 2 1 355.530 3.566 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CCCCCC1 ZINC000364181695 943996706 /nfs/dbraw/zinc/99/67/06/943996706.db2.gz OFZZPOGYXAKUEO-UHFFFAOYSA-N 2 1 363.590 3.612 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000500072828 944050097 /nfs/dbraw/zinc/05/00/97/944050097.db2.gz IKQCWKVIKPULAI-DEOSSOPVSA-N 2 1 369.597 3.773 20 0 FHADMP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116944 944123198 /nfs/dbraw/zinc/12/31/98/944123198.db2.gz PIAURPGFSADTIQ-DHIUTWEWSA-N 2 1 357.586 3.979 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000500133547 944150975 /nfs/dbraw/zinc/15/09/75/944150975.db2.gz QEVIWZZOMODUMZ-MOPGFXCFSA-N 2 1 374.573 3.591 20 0 FHADMP c1ccc([C@@H]2CC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C2)cc1 ZINC000436266512 944157811 /nfs/dbraw/zinc/15/78/11/944157811.db2.gz AENQHYUQNCNDGP-OFNKIYASSA-N 2 1 350.506 3.945 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436286029 944164729 /nfs/dbraw/zinc/16/47/29/944164729.db2.gz QKYIARMJQGRTMG-HJNYFJLDSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436286029 944164731 /nfs/dbraw/zinc/16/47/31/944164731.db2.gz QKYIARMJQGRTMG-HJNYFJLDSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436286029 944164735 /nfs/dbraw/zinc/16/47/35/944164735.db2.gz QKYIARMJQGRTMG-HJNYFJLDSA-N 2 1 365.606 3.510 20 0 FHADMP c1cc(-c2n[nH]cc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000436276140 944173804 /nfs/dbraw/zinc/17/38/04/944173804.db2.gz RTNQSSUQKFCCTI-UHFFFAOYSA-N 2 1 352.507 3.892 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000414916790 944198198 /nfs/dbraw/zinc/19/81/98/944198198.db2.gz QJVGLPBHZXJISS-GOSISDBHSA-N 2 1 369.513 3.709 20 0 FHADMP CC(C)(C)OC(=O)NCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000397831213 944199839 /nfs/dbraw/zinc/19/98/39/944199839.db2.gz YMDIIXOPJGGTFR-UHFFFAOYSA-N 2 1 361.530 3.546 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474513 944303684 /nfs/dbraw/zinc/30/36/84/944303684.db2.gz NJCFZJPOFNIQNY-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474513 944303690 /nfs/dbraw/zinc/30/36/90/944303690.db2.gz NJCFZJPOFNIQNY-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474513 944303693 /nfs/dbraw/zinc/30/36/93/944303693.db2.gz NJCFZJPOFNIQNY-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474513 944303696 /nfs/dbraw/zinc/30/36/96/944303696.db2.gz NJCFZJPOFNIQNY-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000397980433 944332680 /nfs/dbraw/zinc/33/26/80/944332680.db2.gz LZSFHURKTQBRGW-WYNBGMTASA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000397980433 944332688 /nfs/dbraw/zinc/33/26/88/944332688.db2.gz LZSFHURKTQBRGW-WYNBGMTASA-N 2 1 358.526 3.609 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000111661249 944384269 /nfs/dbraw/zinc/38/42/69/944384269.db2.gz KXFGVFQQXODXEC-QFIPXVFZSA-N 2 1 371.569 3.622 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000111661249 944384276 /nfs/dbraw/zinc/38/42/76/944384276.db2.gz KXFGVFQQXODXEC-QFIPXVFZSA-N 2 1 371.569 3.622 20 0 FHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000111661249 944384285 /nfs/dbraw/zinc/38/42/85/944384285.db2.gz KXFGVFQQXODXEC-QFIPXVFZSA-N 2 1 371.569 3.622 20 0 FHADMP Cc1cc(CO)cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]1 ZINC000664564668 944402263 /nfs/dbraw/zinc/40/22/63/944402263.db2.gz UIOOQEOABOZQOK-HXUWFJFHSA-N 2 1 351.494 3.597 20 0 FHADMP Cc1cc(CO)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]1 ZINC000664564668 944402268 /nfs/dbraw/zinc/40/22/68/944402268.db2.gz UIOOQEOABOZQOK-HXUWFJFHSA-N 2 1 351.494 3.597 20 0 FHADMP c1cnn(-c2ncccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000517566653 944407403 /nfs/dbraw/zinc/40/74/03/944407403.db2.gz XGSDMPYSOJUTLD-OAQYLSRUSA-N 2 1 373.504 3.554 20 0 FHADMP c1cnn(-c2ncccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000517566653 944407407 /nfs/dbraw/zinc/40/74/07/944407407.db2.gz XGSDMPYSOJUTLD-OAQYLSRUSA-N 2 1 373.504 3.554 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167963922 944431376 /nfs/dbraw/zinc/43/13/76/944431376.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963922 944431381 /nfs/dbraw/zinc/43/13/81/944431381.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963922 944431386 /nfs/dbraw/zinc/43/13/86/944431386.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167963922 944431391 /nfs/dbraw/zinc/43/13/91/944431391.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167963922 944431395 /nfs/dbraw/zinc/43/13/95/944431395.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963922 944431401 /nfs/dbraw/zinc/43/14/01/944431401.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167963922 944431405 /nfs/dbraw/zinc/43/14/05/944431405.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 3 1 367.581 3.894 20 0 FHADMP O=C1CCCCN1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167978528 944443797 /nfs/dbraw/zinc/44/37/97/944443797.db2.gz OKAIIDCUMMQWID-XDNSSPFJSA-N 2 1 367.537 3.699 20 0 FHADMP Cn1cncc1CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838936 944445760 /nfs/dbraw/zinc/44/57/60/944445760.db2.gz VTULVWJNMUXQOV-JOCHJYFZSA-N 2 1 366.553 3.585 20 0 FHADMP C[C@@H]1CCC[C@](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000311245972 944447254 /nfs/dbraw/zinc/44/72/54/944447254.db2.gz UIOPTOGFJIBZIJ-XFYJMZHFSA-N 2 1 367.578 3.922 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426321629 944451446 /nfs/dbraw/zinc/45/14/46/944451446.db2.gz DTEQSIBLKOBRRE-SLFFLAALSA-N 2 1 353.510 3.936 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426321629 944451452 /nfs/dbraw/zinc/45/14/52/944451452.db2.gz DTEQSIBLKOBRRE-SLFFLAALSA-N 2 1 353.510 3.936 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000426332836 944477695 /nfs/dbraw/zinc/47/76/95/944477695.db2.gz FPPZAUIHCKYLBK-CEXWTWQISA-N 2 1 356.539 3.627 20 0 FHADMP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000426332836 944477700 /nfs/dbraw/zinc/47/77/00/944477700.db2.gz FPPZAUIHCKYLBK-CEXWTWQISA-N 2 1 356.539 3.627 20 0 FHADMP CCOc1cc(F)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC001143575356 944480088 /nfs/dbraw/zinc/48/00/88/944480088.db2.gz URGOFCRXCZAXGW-UHFFFAOYSA-N 2 1 352.469 3.917 20 0 FHADMP Cc1ccc(C2(O)CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167981793 944490781 /nfs/dbraw/zinc/49/07/81/944490781.db2.gz KGTBQOYQZXTNFD-CBQGHPETSA-N 2 1 354.538 3.684 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801268 944520835 /nfs/dbraw/zinc/52/08/35/944520835.db2.gz GWXCYLNVRHPTHW-WMLDXEAASA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801268 944520839 /nfs/dbraw/zinc/52/08/39/944520839.db2.gz GWXCYLNVRHPTHW-WMLDXEAASA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801268 944520843 /nfs/dbraw/zinc/52/08/43/944520843.db2.gz GWXCYLNVRHPTHW-WMLDXEAASA-N 2 1 360.420 3.626 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[NH+]3CCCCC3)c2c1C ZINC000590491887 944552158 /nfs/dbraw/zinc/55/21/58/944552158.db2.gz JBXFDIGGOGSAOT-UHFFFAOYSA-N 2 1 373.570 3.802 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201029 944572396 /nfs/dbraw/zinc/57/23/96/944572396.db2.gz PYXNWDOWVDYTKX-GOTSBHOMSA-N 2 1 355.570 3.705 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219330 944582298 /nfs/dbraw/zinc/58/22/98/944582298.db2.gz ZZQGZPNPUOSFCE-WTIAFYNJSA-N 2 1 374.569 3.591 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219328 944582426 /nfs/dbraw/zinc/58/24/26/944582426.db2.gz ZZQGZPNPUOSFCE-OIBXWCBGSA-N 2 1 374.569 3.591 20 0 FHADMP Fc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550263253 944598640 /nfs/dbraw/zinc/59/86/40/944598640.db2.gz MFNWUCOSDBJWMP-NRFANRHFSA-N 2 1 368.496 3.844 20 0 FHADMP CC[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470756 944649673 /nfs/dbraw/zinc/64/96/73/944649673.db2.gz DQYKDPDRTLISGP-FGZHOGPDSA-N 2 1 360.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000550273425 944665395 /nfs/dbraw/zinc/66/53/95/944665395.db2.gz PUSVGJGYNCULEQ-PKOBYXMFSA-N 2 1 354.542 3.688 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000550273425 944665400 /nfs/dbraw/zinc/66/54/00/944665400.db2.gz PUSVGJGYNCULEQ-PKOBYXMFSA-N 2 1 354.542 3.688 20 0 FHADMP Fc1cc(Br)cc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1F ZINC001222457294 944722657 /nfs/dbraw/zinc/72/26/57/944722657.db2.gz HKBUDLPLCOKUMO-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP CCC(CC)(CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000426416092 944729193 /nfs/dbraw/zinc/72/91/93/944729193.db2.gz GNYMUCUHEXHREU-FXAWDEMLSA-N 2 1 357.542 3.639 20 0 FHADMP CSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC[NH+](C)CC1 ZINC000516354537 944762666 /nfs/dbraw/zinc/76/26/66/944762666.db2.gz RIOXSZSGEOKHIO-MRXNPFEDSA-N 3 1 358.555 3.659 20 0 FHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438549751 944776256 /nfs/dbraw/zinc/77/62/56/944776256.db2.gz FUDOFMAPANZCKW-FQEVSTJZSA-N 2 1 373.566 3.581 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572764 944789196 /nfs/dbraw/zinc/78/91/96/944789196.db2.gz GKYGZVWRVWOCHG-RTBURBONSA-N 2 1 363.571 3.654 20 0 FHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516386713 944804087 /nfs/dbraw/zinc/80/40/87/944804087.db2.gz IPTLHXWMKNYXBW-JOCHJYFZSA-N 2 1 371.569 3.527 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445028 944824551 /nfs/dbraw/zinc/82/45/51/944824551.db2.gz KUGRDMFTRVIQLO-UXHICEINSA-N 2 1 363.590 3.612 20 0 FHADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665302 944893056 /nfs/dbraw/zinc/89/30/56/944893056.db2.gz JCDYWOYCSWMOAO-NRFANRHFSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665302 944893063 /nfs/dbraw/zinc/89/30/63/944893063.db2.gz JCDYWOYCSWMOAO-NRFANRHFSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665302 944893070 /nfs/dbraw/zinc/89/30/70/944893070.db2.gz JCDYWOYCSWMOAO-NRFANRHFSA-N 2 1 371.569 3.669 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414939872 944902544 /nfs/dbraw/zinc/90/25/44/944902544.db2.gz BHCDCCIQFJQECC-NOZJJQNGSA-N 2 1 351.210 3.698 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884746 944903908 /nfs/dbraw/zinc/90/39/08/944903908.db2.gz MNICIHSKXDDHMB-QFBILLFUSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884746 944903917 /nfs/dbraw/zinc/90/39/17/944903917.db2.gz MNICIHSKXDDHMB-QFBILLFUSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884746 944903923 /nfs/dbraw/zinc/90/39/23/944903923.db2.gz MNICIHSKXDDHMB-QFBILLFUSA-N 2 1 365.949 3.571 20 0 FHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000518085491 945006851 /nfs/dbraw/zinc/00/68/51/945006851.db2.gz MOSDIWHTJAYANQ-KDURUIRLSA-N 2 1 374.573 3.543 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000437135129 945046847 /nfs/dbraw/zinc/04/68/47/945046847.db2.gz GQZVWQMVRIQNTI-OAQYLSRUSA-N 2 1 360.461 3.898 20 0 FHADMP CN(c1ccccc1)c1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000437135129 945046857 /nfs/dbraw/zinc/04/68/57/945046857.db2.gz GQZVWQMVRIQNTI-OAQYLSRUSA-N 2 1 360.461 3.898 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1cccs1 ZINC000415050868 945502684 /nfs/dbraw/zinc/50/26/84/945502684.db2.gz DHVWGNIAINBKPS-FOIQADDNSA-N 2 1 360.523 3.752 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415051686 945502933 /nfs/dbraw/zinc/50/29/33/945502933.db2.gz MKWRDYLPCDGLGT-CTNGQTDRSA-N 2 1 351.494 3.721 20 0 FHADMP CC[N@H+](Cc1cc2cnccc2o1)CC1CCN(c2ccccn2)CC1 ZINC000651643683 945507913 /nfs/dbraw/zinc/50/79/13/945507913.db2.gz LKFJXSKJIGBMFD-UHFFFAOYSA-N 2 1 350.466 3.961 20 0 FHADMP C[N@@H+](C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417453 945596821 /nfs/dbraw/zinc/59/68/21/945596821.db2.gz NQNBVMXWURNLRL-PGGWPXBNSA-N 2 1 365.562 3.581 20 0 FHADMP C[NH+](C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417453 945596826 /nfs/dbraw/zinc/59/68/26/945596826.db2.gz NQNBVMXWURNLRL-PGGWPXBNSA-N 2 1 365.562 3.581 20 0 FHADMP C[NH+](C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417453 945596829 /nfs/dbraw/zinc/59/68/29/945596829.db2.gz NQNBVMXWURNLRL-PGGWPXBNSA-N 2 1 365.562 3.581 20 0 FHADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001167968878 945640093 /nfs/dbraw/zinc/64/00/93/945640093.db2.gz WIQMURZGPMGWRM-IPQPSQTFSA-N 2 1 368.443 3.734 20 0 FHADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001167968878 945640097 /nfs/dbraw/zinc/64/00/97/945640097.db2.gz WIQMURZGPMGWRM-IPQPSQTFSA-N 2 1 368.443 3.734 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663228 /nfs/dbraw/zinc/66/32/28/945663228.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663229 /nfs/dbraw/zinc/66/32/29/945663229.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663234 /nfs/dbraw/zinc/66/32/34/945663234.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663238 /nfs/dbraw/zinc/66/32/38/945663238.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663241 /nfs/dbraw/zinc/66/32/41/945663241.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663246 /nfs/dbraw/zinc/66/32/46/945663246.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663249 /nfs/dbraw/zinc/66/32/49/945663249.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663253 /nfs/dbraw/zinc/66/32/53/945663253.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663257 /nfs/dbraw/zinc/66/32/57/945663257.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1ccccc1 ZINC000192611828 945745472 /nfs/dbraw/zinc/74/54/72/945745472.db2.gz UGXAKDWJNZOEAG-SEJPIABJSA-N 2 1 366.505 3.989 20 0 FHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccccc1 ZINC000192611828 945745477 /nfs/dbraw/zinc/74/54/77/945745477.db2.gz UGXAKDWJNZOEAG-SEJPIABJSA-N 2 1 366.505 3.989 20 0 FHADMP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110792335 945758932 /nfs/dbraw/zinc/75/89/32/945758932.db2.gz UGESDCQTGMBRAL-IBGZPJMESA-N 2 1 371.569 3.668 20 0 FHADMP O=C(CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OCc1ccccc1 ZINC001167970403 945777604 /nfs/dbraw/zinc/77/76/04/945777604.db2.gz JOHOXNLSGYTBAE-FRIKZZABSA-N 2 1 370.537 3.895 20 0 FHADMP CCOC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167970809 945779861 /nfs/dbraw/zinc/77/98/61/945779861.db2.gz NQSTWGKJKARQEY-VTHDOGFWSA-N 2 1 356.510 3.676 20 0 FHADMP CCOC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167970809 945779868 /nfs/dbraw/zinc/77/98/68/945779868.db2.gz NQSTWGKJKARQEY-VTHDOGFWSA-N 2 1 356.510 3.676 20 0 FHADMP C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000324369946 945785881 /nfs/dbraw/zinc/78/58/81/945785881.db2.gz KLSZYOAOUNQUIY-HNNXBMFYSA-N 2 1 352.906 3.713 20 0 FHADMP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444090325 945840174 /nfs/dbraw/zinc/84/01/74/945840174.db2.gz RHFOGMSVDXAWIB-AIYVTKCESA-N 2 1 371.569 3.759 20 0 FHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444090325 945840181 /nfs/dbraw/zinc/84/01/81/945840181.db2.gz RHFOGMSVDXAWIB-AIYVTKCESA-N 2 1 371.569 3.759 20 0 FHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444090325 945840193 /nfs/dbraw/zinc/84/01/93/945840193.db2.gz RHFOGMSVDXAWIB-AIYVTKCESA-N 2 1 371.569 3.759 20 0 FHADMP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1C(F)(F)F ZINC001167972900 945914852 /nfs/dbraw/zinc/91/48/52/945914852.db2.gz DONWEKIJHSTDJT-ALOPSCKCSA-N 2 1 353.432 3.981 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@H]1c1cccs1 ZINC000440821515 945923093 /nfs/dbraw/zinc/92/30/93/945923093.db2.gz NMOYBEJSVQCGNJ-ABAIWWIYSA-N 2 1 358.433 3.663 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@H]1c1cccs1 ZINC000440821515 945923099 /nfs/dbraw/zinc/92/30/99/945923099.db2.gz NMOYBEJSVQCGNJ-ABAIWWIYSA-N 2 1 358.433 3.663 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@H]1c1cccs1 ZINC000440821519 945923565 /nfs/dbraw/zinc/92/35/65/945923565.db2.gz NMOYBEJSVQCGNJ-NHYWBVRUSA-N 2 1 358.433 3.663 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)[C@H]1c1cccs1 ZINC000440821519 945923576 /nfs/dbraw/zinc/92/35/76/945923576.db2.gz NMOYBEJSVQCGNJ-NHYWBVRUSA-N 2 1 358.433 3.663 20 0 FHADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@@H]21 ZINC000301707594 945925850 /nfs/dbraw/zinc/92/58/50/945925850.db2.gz JBTISOYFHPXJAS-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@@H]21 ZINC000301707594 945925857 /nfs/dbraw/zinc/92/58/57/945925857.db2.gz JBTISOYFHPXJAS-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@@H]21 ZINC000301707593 945925959 /nfs/dbraw/zinc/92/59/59/945925959.db2.gz JBTISOYFHPXJAS-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccc(Br)cc43)CC[C@@H]21 ZINC000301707593 945925966 /nfs/dbraw/zinc/92/59/66/945925966.db2.gz JBTISOYFHPXJAS-DYVFJYSZSA-N 2 1 360.299 3.918 20 0 FHADMP CC(C[NH+]1CC(C)(C)O[C@@H]2CCC[C@H]21)C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440963572 946066750 /nfs/dbraw/zinc/06/67/50/946066750.db2.gz OTOFFUNCAYYYRX-UAFMIMERSA-N 2 1 364.574 3.686 20 0 FHADMP CC(C[NH+]1CC(C)(C)O[C@@H]2CCC[C@H]21)C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440963572 946066762 /nfs/dbraw/zinc/06/67/62/946066762.db2.gz OTOFFUNCAYYYRX-UAFMIMERSA-N 2 1 364.574 3.686 20 0 FHADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000045807135 946163761 /nfs/dbraw/zinc/16/37/61/946163761.db2.gz VZMLKRCDCUGWGM-UHFFFAOYSA-N 2 1 357.542 3.830 20 0 FHADMP C[C@H](O)[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1F ZINC000651893006 946187544 /nfs/dbraw/zinc/18/75/44/946187544.db2.gz XHPWNVCIRCFZJF-JTSKRJEESA-N 2 1 372.484 3.512 20 0 FHADMP CC(=O)Nc1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000103142873 946249908 /nfs/dbraw/zinc/24/99/08/946249908.db2.gz YUKHQLKJCABGQP-UHFFFAOYSA-N 2 1 365.521 3.989 20 0 FHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441226666 946332797 /nfs/dbraw/zinc/33/27/97/946332797.db2.gz GRVLBMDJDWBSFD-FPOVZHCZSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441226666 946332810 /nfs/dbraw/zinc/33/28/10/946332810.db2.gz GRVLBMDJDWBSFD-FPOVZHCZSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441226666 946332822 /nfs/dbraw/zinc/33/28/22/946332822.db2.gz GRVLBMDJDWBSFD-FPOVZHCZSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441226666 946332835 /nfs/dbraw/zinc/33/28/35/946332835.db2.gz GRVLBMDJDWBSFD-FPOVZHCZSA-N 2 1 356.510 3.701 20 0 FHADMP Cc1cc(NCc2ccc(N)[nH+]c2C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001167781330 946361204 /nfs/dbraw/zinc/36/12/04/946361204.db2.gz KCGZLQLSTDIWLL-UHFFFAOYSA-N 2 1 373.504 3.846 20 0 FHADMP Cc1cc(NCc2ccc(N)[nH+]c2C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167781330 946361214 /nfs/dbraw/zinc/36/12/14/946361214.db2.gz KCGZLQLSTDIWLL-UHFFFAOYSA-N 2 1 373.504 3.846 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000520290340 946365742 /nfs/dbraw/zinc/36/57/42/946365742.db2.gz GNPBNBJYXWXTJH-AZUAARDMSA-N 2 1 357.542 3.641 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260815 946367654 /nfs/dbraw/zinc/36/76/54/946367654.db2.gz SXXGLRVABXCFCP-KBAYOESNSA-N 2 1 373.324 3.556 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC000441260815 946367662 /nfs/dbraw/zinc/36/76/62/946367662.db2.gz SXXGLRVABXCFCP-KBAYOESNSA-N 2 1 373.324 3.556 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000302904803 946379145 /nfs/dbraw/zinc/37/91/45/946379145.db2.gz VHYACCYSVRVONX-LJQANCHMSA-N 2 1 365.452 3.943 20 0 FHADMP Cc1ccc(-c2ccc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)s2)cc1 ZINC000441351321 946467324 /nfs/dbraw/zinc/46/73/24/946467324.db2.gz SAHQAKSBENUSHX-UHFFFAOYSA-N 2 1 357.567 3.839 20 0 FHADMP C[N@H+](CCOc1cccc(Br)c1)CC[C@H]1CCCC[NH+]1C ZINC000441347057 946499932 /nfs/dbraw/zinc/49/99/32/946499932.db2.gz KNSQRYGSGZLSHP-MRXNPFEDSA-N 2 1 355.320 3.634 20 0 FHADMP C[N@@H+](CCOc1cccc(Br)c1)CC[C@H]1CCCC[NH+]1C ZINC000441347057 946499937 /nfs/dbraw/zinc/49/99/37/946499937.db2.gz KNSQRYGSGZLSHP-MRXNPFEDSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1cccc(Br)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000441347057 946499944 /nfs/dbraw/zinc/49/99/44/946499944.db2.gz KNSQRYGSGZLSHP-MRXNPFEDSA-N 2 1 355.320 3.634 20 0 FHADMP C[NH+](CCOc1cccc(Br)c1)CC[C@H]1CCCC[N@H+]1C ZINC000441347057 946499953 /nfs/dbraw/zinc/49/99/53/946499953.db2.gz KNSQRYGSGZLSHP-MRXNPFEDSA-N 2 1 355.320 3.634 20 0 FHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(I)cc1 ZINC000441383090 946506750 /nfs/dbraw/zinc/50/67/50/946506750.db2.gz SHMYPZVYJJRDHM-MRXNPFEDSA-N 2 1 372.294 3.597 20 0 FHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(I)cc1 ZINC000441383090 946506755 /nfs/dbraw/zinc/50/67/55/946506755.db2.gz SHMYPZVYJJRDHM-MRXNPFEDSA-N 2 1 372.294 3.597 20 0 FHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(I)cc1 ZINC000441383090 946506759 /nfs/dbraw/zinc/50/67/59/946506759.db2.gz SHMYPZVYJJRDHM-MRXNPFEDSA-N 2 1 372.294 3.597 20 0 FHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(I)cc1 ZINC000441383090 946506764 /nfs/dbraw/zinc/50/67/64/946506764.db2.gz SHMYPZVYJJRDHM-MRXNPFEDSA-N 2 1 372.294 3.597 20 0 FHADMP CC[N@@H+](CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237593 946516746 /nfs/dbraw/zinc/51/67/46/946516746.db2.gz UPIGDBUZTUSFOJ-OFNKIYASSA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@H+](CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237593 946516747 /nfs/dbraw/zinc/51/67/47/946516747.db2.gz UPIGDBUZTUSFOJ-OFNKIYASSA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@@H+](CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237593 946516754 /nfs/dbraw/zinc/51/67/54/946516754.db2.gz UPIGDBUZTUSFOJ-OFNKIYASSA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237593 946516759 /nfs/dbraw/zinc/51/67/59/946516759.db2.gz UPIGDBUZTUSFOJ-OFNKIYASSA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237593 946516764 /nfs/dbraw/zinc/51/67/64/946516764.db2.gz UPIGDBUZTUSFOJ-OFNKIYASSA-N 2 1 372.601 3.926 20 0 FHADMP CC(=O)N1CC[C@H]([N@@H+](C(C)C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057919 946593833 /nfs/dbraw/zinc/59/38/33/946593833.db2.gz ONICNEOAJOLMGU-KNKQGSTJSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057919 946593841 /nfs/dbraw/zinc/59/38/41/946593841.db2.gz ONICNEOAJOLMGU-KNKQGSTJSA-N 2 1 371.569 3.759 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192683292 946608452 /nfs/dbraw/zinc/60/84/52/946608452.db2.gz IUKJBBBEAIIMAW-NRFANRHFSA-N 2 1 353.510 3.584 20 0 FHADMP COC(=O)CC[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059785 946746365 /nfs/dbraw/zinc/74/63/65/946746365.db2.gz HDZOZIKXXODVNW-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)CC[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059785 946746373 /nfs/dbraw/zinc/74/63/73/946746373.db2.gz HDZOZIKXXODVNW-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)CC[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059785 946746381 /nfs/dbraw/zinc/74/63/81/946746381.db2.gz HDZOZIKXXODVNW-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COc1cc2c(c(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@H](C)C2 ZINC000475282269 946818231 /nfs/dbraw/zinc/81/82/31/946818231.db2.gz FQKXVJNFDPQVSV-IEBWSBKVSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c1)O[C@H](C)C2 ZINC000475282269 946818241 /nfs/dbraw/zinc/81/82/41/946818241.db2.gz FQKXVJNFDPQVSV-IEBWSBKVSA-N 2 1 366.505 3.630 20 0 FHADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1)O[C@H](C)C2 ZINC000475282269 946818251 /nfs/dbraw/zinc/81/82/51/946818251.db2.gz FQKXVJNFDPQVSV-IEBWSBKVSA-N 2 1 366.505 3.630 20 0 FHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475283865 946822241 /nfs/dbraw/zinc/82/22/41/946822241.db2.gz XDCYLDVAKPHENP-IBGZPJMESA-N 2 1 364.468 3.623 20 0 FHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000475283865 946822254 /nfs/dbraw/zinc/82/22/54/946822254.db2.gz XDCYLDVAKPHENP-IBGZPJMESA-N 2 1 364.468 3.623 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000652345775 946871616 /nfs/dbraw/zinc/87/16/16/946871616.db2.gz LQYLOBZQOBNWJA-CKEIUWERSA-N 2 1 373.324 3.591 20 0 FHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995089 946893062 /nfs/dbraw/zinc/89/30/62/946893062.db2.gz VQLMGYDMJMYHII-HNYYDBCASA-N 2 1 372.553 3.938 20 0 FHADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995089 946893065 /nfs/dbraw/zinc/89/30/65/946893065.db2.gz VQLMGYDMJMYHII-HNYYDBCASA-N 2 1 372.553 3.938 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348622 946894013 /nfs/dbraw/zinc/89/40/13/946894013.db2.gz KTBCNUCCBMRLTJ-BHIYHBOVSA-N 2 1 370.459 3.856 20 0 FHADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350355 946895223 /nfs/dbraw/zinc/89/52/23/946895223.db2.gz UMPZDEBXEFFIRW-ABSDTBQOSA-N 2 1 366.933 3.846 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC3CC(OC(C)(C)C)C3)sc2C1 ZINC000432240414 946901366 /nfs/dbraw/zinc/90/13/66/946901366.db2.gz DRYWZCPYIHMSRQ-UHFFFAOYSA-N 2 1 365.587 3.983 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC3CC(OC(C)(C)C)C3)sc2C1 ZINC000432240414 946901373 /nfs/dbraw/zinc/90/13/73/946901373.db2.gz DRYWZCPYIHMSRQ-UHFFFAOYSA-N 2 1 365.587 3.983 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000652355499 946916204 /nfs/dbraw/zinc/91/62/04/946916204.db2.gz ZKNDNEVGIZOJGZ-UTKZUKDTSA-N 2 1 351.494 3.888 20 0 FHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000909603644 946928064 /nfs/dbraw/zinc/92/80/64/946928064.db2.gz PNHWKKVVYLEGBV-HXUWFJFHSA-N 2 1 351.494 3.517 20 0 FHADMP CCCc1noc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167995286 946930004 /nfs/dbraw/zinc/93/00/04/946930004.db2.gz ZIIVKVWHJQJUEC-HTUJPFKRSA-N 2 1 358.530 3.607 20 0 FHADMP CCCc1noc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001167995286 946930010 /nfs/dbraw/zinc/93/00/10/946930010.db2.gz ZIIVKVWHJQJUEC-HTUJPFKRSA-N 2 1 358.530 3.607 20 0 FHADMP CCCc1noc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001167995286 946930014 /nfs/dbraw/zinc/93/00/14/946930014.db2.gz ZIIVKVWHJQJUEC-HTUJPFKRSA-N 2 1 358.530 3.607 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCC[NH+]4CCCCC4)CC[C@@H]32)cc1 ZINC000444601909 947028017 /nfs/dbraw/zinc/02/80/17/947028017.db2.gz GENVYLGOAHLVSB-PKTZIBPZSA-N 2 1 355.570 3.849 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCC[NH+]4CCCCC4)CC[C@H]32)cc1 ZINC000444601905 947028601 /nfs/dbraw/zinc/02/86/01/947028601.db2.gz GENVYLGOAHLVSB-DHIUTWEWSA-N 2 1 355.570 3.849 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccsc4)cc3)C2)CC1 ZINC000444609025 947033616 /nfs/dbraw/zinc/03/36/16/947033616.db2.gz MOJDTTOCHGOHTD-NRFANRHFSA-N 2 1 355.551 3.627 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](CNC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929850 947108474 /nfs/dbraw/zinc/10/84/74/947108474.db2.gz NHKBFHBOFOSMBV-QHCPKHFHSA-N 2 1 363.549 3.763 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](C3CC3)[NH+](C)C)c2c1C ZINC000301192572 947225617 /nfs/dbraw/zinc/22/56/17/947225617.db2.gz MVUPDFJZNDYIFL-INIZCTEOSA-N 2 1 373.570 3.656 20 0 FHADMP c1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccncc2)nn1-c1ccccc1 ZINC000262092215 947527207 /nfs/dbraw/zinc/52/72/07/947527207.db2.gz UXBIHMKDAODYLB-UHFFFAOYSA-N 2 1 373.504 3.510 20 0 FHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460356 947608407 /nfs/dbraw/zinc/60/84/07/947608407.db2.gz DCBGUDKYTLCXLY-FPOVZHCZSA-N 2 1 374.569 3.532 20 0 FHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460356 947608413 /nfs/dbraw/zinc/60/84/13/947608413.db2.gz DCBGUDKYTLCXLY-FPOVZHCZSA-N 2 1 374.569 3.532 20 0 FHADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460365 947609080 /nfs/dbraw/zinc/60/90/80/947609080.db2.gz CWYRIAKPBHMOJL-STZQEDGTSA-N 2 1 369.553 3.552 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189184874 947658091 /nfs/dbraw/zinc/65/80/91/947658091.db2.gz ABPJIKQRBALOCZ-INIZCTEOSA-N 2 1 364.839 3.685 20 0 FHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000662249500 947672589 /nfs/dbraw/zinc/67/25/89/947672589.db2.gz VTZLTTOAIUDADL-HXUWFJFHSA-N 2 1 352.478 3.687 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)ccc2n1 ZINC000189265251 947683208 /nfs/dbraw/zinc/68/32/08/947683208.db2.gz JUHXPUKHFWHZPQ-UHFFFAOYSA-N 2 1 374.532 3.580 20 0 FHADMP FC(F)Oc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662276498 947702395 /nfs/dbraw/zinc/70/23/95/947702395.db2.gz JYZWPJSUEULRBW-FQEVSTJZSA-N 2 1 374.431 3.507 20 0 FHADMP FC(F)Oc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662276498 947702401 /nfs/dbraw/zinc/70/24/01/947702401.db2.gz JYZWPJSUEULRBW-FQEVSTJZSA-N 2 1 374.431 3.507 20 0 FHADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)c1 ZINC000662316291 947745328 /nfs/dbraw/zinc/74/53/28/947745328.db2.gz LLNCRPWEGSTTFI-IEBWSBKVSA-N 2 1 372.513 3.605 20 0 FHADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313580 947746604 /nfs/dbraw/zinc/74/66/04/947746604.db2.gz IZAYSSNBWUWXPT-RHSMWYFYSA-N 2 1 367.921 3.517 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CCO1 ZINC000662320500 947749329 /nfs/dbraw/zinc/74/93/29/947749329.db2.gz BTQYBUSCYXMFNT-HSZRJFAPSA-N 2 1 368.521 3.808 20 0 FHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CCO1 ZINC000662320500 947749334 /nfs/dbraw/zinc/74/93/34/947749334.db2.gz BTQYBUSCYXMFNT-HSZRJFAPSA-N 2 1 368.521 3.808 20 0 FHADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328549 947760157 /nfs/dbraw/zinc/76/01/57/947760157.db2.gz SMNAQRHBJWQQBA-HTAPYJJXSA-N 2 1 374.573 3.651 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662389705 947775372 /nfs/dbraw/zinc/77/53/72/947775372.db2.gz ZOXCNTUOWHODQF-QGZVFWFLSA-N 2 1 363.505 3.594 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662386937 947777431 /nfs/dbraw/zinc/77/74/31/947777431.db2.gz PUAWIUFMBGULQK-UEXGIBASSA-N 2 1 371.569 3.553 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344255 947805326 /nfs/dbraw/zinc/80/53/26/947805326.db2.gz QHPVOBNPKOMAKJ-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344255 947805334 /nfs/dbraw/zinc/80/53/34/947805334.db2.gz QHPVOBNPKOMAKJ-FQEVSTJZSA-N 2 1 352.526 3.701 20 0 FHADMP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345292 947812025 /nfs/dbraw/zinc/81/20/25/947812025.db2.gz HVKAUAQJSDDXLX-MRXNPFEDSA-N 2 1 358.917 3.942 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347586 947821187 /nfs/dbraw/zinc/82/11/87/947821187.db2.gz PLQGOQNXFZPGOB-INIZCTEOSA-N 2 1 366.933 3.959 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347586 947821196 /nfs/dbraw/zinc/82/11/96/947821196.db2.gz PLQGOQNXFZPGOB-INIZCTEOSA-N 2 1 366.933 3.959 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663362980 947852681 /nfs/dbraw/zinc/85/26/81/947852681.db2.gz DFGIHXIGSQGZCI-NRFANRHFSA-N 2 1 352.526 3.915 20 0 FHADMP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503452 947873636 /nfs/dbraw/zinc/87/36/36/947873636.db2.gz UISGBFOBUSEULT-PXNSSMCTSA-N 2 1 363.505 3.587 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000500442138 947878853 /nfs/dbraw/zinc/87/88/53/947878853.db2.gz SLARCJKRLXXKQQ-QFIPXVFZSA-N 2 1 368.521 3.504 20 0 FHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467514 948053900 /nfs/dbraw/zinc/05/39/00/948053900.db2.gz GLIYCMXSZHUIEX-PKOBYXMFSA-N 2 1 357.542 3.678 20 0 FHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469867 948064189 /nfs/dbraw/zinc/06/41/89/948064189.db2.gz RGKCXVAMOGKZIR-YLJYHZDGSA-N 2 1 352.526 3.953 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473202186 948088793 /nfs/dbraw/zinc/08/87/93/948088793.db2.gz QDVGOUROZSCHEC-SFTDATJTSA-N 2 1 359.558 3.524 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(C4OCCO4)cc3)CC2)cc1 ZINC000166241363 948096065 /nfs/dbraw/zinc/09/60/65/948096065.db2.gz SVZMCOBJYBHCSZ-UHFFFAOYSA-N 2 1 366.505 3.529 20 0 FHADMP CCOC(=O)c1cc2c(s1)CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167825528 948118841 /nfs/dbraw/zinc/11/88/41/948118841.db2.gz JVFDTGGPRXZHCP-HNNXBMFYSA-N 2 1 352.544 3.793 20 0 FHADMP CC[C@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC001167827289 948139371 /nfs/dbraw/zinc/13/93/71/948139371.db2.gz VQQYSPOOPSQDEF-ROUUACIJSA-N 2 1 355.567 3.828 20 0 FHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512008041 948174713 /nfs/dbraw/zinc/17/47/13/948174713.db2.gz LJTAJXJAQRHFNC-FUHWJXTLSA-N 2 1 366.431 3.854 20 0 FHADMP Cc1ccc(-c2ncc(C[NH2+]CCCN3CCCO[C@H](C)C3)s2)cc1 ZINC000432361605 948216575 /nfs/dbraw/zinc/21/65/75/948216575.db2.gz DLZIKWCPKVZVIF-QGZVFWFLSA-N 2 1 359.539 3.709 20 0 FHADMP Cc1ccc(-c2ncc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)s2)cc1 ZINC000432361605 948216584 /nfs/dbraw/zinc/21/65/84/948216584.db2.gz DLZIKWCPKVZVIF-QGZVFWFLSA-N 2 1 359.539 3.709 20 0 FHADMP Cc1ccc(-c2ncc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)s2)cc1 ZINC000432361605 948216593 /nfs/dbraw/zinc/21/65/93/948216593.db2.gz DLZIKWCPKVZVIF-QGZVFWFLSA-N 2 1 359.539 3.709 20 0 FHADMP Cc1cccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001168002133 948220834 /nfs/dbraw/zinc/22/08/34/948220834.db2.gz NEJXKJUGCLQSLW-YOFSQIOKSA-N 2 1 355.526 3.639 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167833945 948242015 /nfs/dbraw/zinc/24/20/15/948242015.db2.gz GGMGZINNHDLRPV-FGTMMUONSA-N 2 1 355.567 3.732 20 0 FHADMP c1cn(-c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)cn1 ZINC000278937778 948258082 /nfs/dbraw/zinc/25/80/82/948258082.db2.gz UCTWHDCIANLIEI-UHFFFAOYSA-N 2 1 361.493 3.785 20 0 FHADMP c1ccc(CN2C[C@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271725 /nfs/dbraw/zinc/27/17/25/948271725.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271732 /nfs/dbraw/zinc/27/17/32/948271732.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@H]3CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271740 /nfs/dbraw/zinc/27/17/40/948271740.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271747 /nfs/dbraw/zinc/27/17/47/948271747.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271756 /nfs/dbraw/zinc/27/17/56/948271756.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271760 /nfs/dbraw/zinc/27/17/60/948271760.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271766 /nfs/dbraw/zinc/27/17/66/948271766.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 1 365.565 3.598 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001167835696 948298013 /nfs/dbraw/zinc/29/80/13/948298013.db2.gz SXEVVAGPZNTFSM-PZJWPPBQSA-N 2 1 360.542 3.952 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410074 948355851 /nfs/dbraw/zinc/35/58/51/948355851.db2.gz LNKXVLGROSDIEK-YOEHRIQHSA-N 2 1 371.447 3.568 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410074 948355858 /nfs/dbraw/zinc/35/58/58/948355858.db2.gz LNKXVLGROSDIEK-YOEHRIQHSA-N 2 1 371.447 3.568 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410072 948356335 /nfs/dbraw/zinc/35/63/35/948356335.db2.gz LNKXVLGROSDIEK-RHSMWYFYSA-N 2 1 371.447 3.568 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410072 948356339 /nfs/dbraw/zinc/35/63/39/948356339.db2.gz LNKXVLGROSDIEK-RHSMWYFYSA-N 2 1 371.447 3.568 20 0 FHADMP COc1ccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414965 948365100 /nfs/dbraw/zinc/36/51/00/948365100.db2.gz AYZXDOYMNHONEG-ROUUACIJSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414965 948365103 /nfs/dbraw/zinc/36/51/03/948365103.db2.gz AYZXDOYMNHONEG-ROUUACIJSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419203 948375122 /nfs/dbraw/zinc/37/51/22/948375122.db2.gz ZWEPRAYLXHUVBH-QFBILLFUSA-N 2 1 364.555 3.713 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422491 948383492 /nfs/dbraw/zinc/38/34/92/948383492.db2.gz FLMBBENYGSEZRO-KBPBESRZSA-N 2 1 373.310 3.740 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(Br)c1 ZINC000278999258 948386227 /nfs/dbraw/zinc/38/62/27/948386227.db2.gz RCJARJVVVFRAHF-NEPJUHHUSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426724 948390803 /nfs/dbraw/zinc/39/08/03/948390803.db2.gz UPMPUMUQFAFZPO-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCCO1 ZINC000432426724 948390811 /nfs/dbraw/zinc/39/08/11/948390811.db2.gz UPMPUMUQFAFZPO-YJBOKZPZSA-N 2 1 352.906 3.644 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000473212612 948403235 /nfs/dbraw/zinc/40/32/35/948403235.db2.gz HSQHWSKFDMWLTP-ICSRJNTNSA-N 2 1 351.579 3.656 20 0 FHADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000512094203 948405317 /nfs/dbraw/zinc/40/53/17/948405317.db2.gz HOWBLWNHABKCNM-JTJHWIPRSA-N 2 1 357.542 3.509 20 0 FHADMP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512096596 948408284 /nfs/dbraw/zinc/40/82/84/948408284.db2.gz ZKKAQNYUTPIIBH-HSALFYBXSA-N 2 1 371.569 3.940 20 0 FHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372422 948424847 /nfs/dbraw/zinc/42/48/47/948424847.db2.gz MTSXIWLSHLGSGN-HOCLYGCPSA-N 2 1 358.917 3.969 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006234 948560629 /nfs/dbraw/zinc/56/06/29/948560629.db2.gz MPJICTJJLJBSKP-XEMDLRDOSA-N 2 1 352.478 3.947 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006234 948560635 /nfs/dbraw/zinc/56/06/35/948560635.db2.gz MPJICTJJLJBSKP-XEMDLRDOSA-N 2 1 352.478 3.947 20 0 FHADMP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303238639 568261928 /nfs/dbraw/zinc/26/19/28/568261928.db2.gz HXQAFSDDONQOKR-RZUBCFFCSA-N 2 1 373.585 3.944 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000604384449 568287812 /nfs/dbraw/zinc/28/78/12/568287812.db2.gz PKLHRJMELYLNFW-NRFANRHFSA-N 2 1 357.542 3.626 20 0 FHADMP CCCn1cc(CN[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000604891390 568381841 /nfs/dbraw/zinc/38/18/41/568381841.db2.gz BHQSVVSMNGYRGC-NRFANRHFSA-N 2 1 354.542 3.856 20 0 FHADMP CCCn1cc(CN[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000604891390 568381842 /nfs/dbraw/zinc/38/18/42/568381842.db2.gz BHQSVVSMNGYRGC-NRFANRHFSA-N 2 1 354.542 3.856 20 0 FHADMP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc2)n1 ZINC000365288602 568415408 /nfs/dbraw/zinc/41/54/08/568415408.db2.gz BUYPSJVWBSHRQV-HXUWFJFHSA-N 2 1 354.498 3.658 20 0 FHADMP C[NH+]1CCC(N2CCC([NH2+]Cc3csc(Cl)c3Cl)CC2)CC1 ZINC000365333137 568520795 /nfs/dbraw/zinc/52/07/95/568520795.db2.gz VUCRIFXJZJVMKY-UHFFFAOYSA-N 2 1 362.370 3.703 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268263 599319600 /nfs/dbraw/zinc/31/96/00/599319600.db2.gz RSNXEZLBQICJBR-SQNIBIBYSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736268263 599319601 /nfs/dbraw/zinc/31/96/01/599319601.db2.gz RSNXEZLBQICJBR-SQNIBIBYSA-N 2 1 368.529 3.514 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736268263 599319604 /nfs/dbraw/zinc/31/96/04/599319604.db2.gz RSNXEZLBQICJBR-SQNIBIBYSA-N 2 1 368.529 3.514 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC001164417972 718893424 /nfs/dbraw/zinc/89/34/24/718893424.db2.gz MACMJXJFRSENDU-RTWAWAEBSA-N 2 1 356.558 3.987 20 0 FHADMP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164845440 720690127 /nfs/dbraw/zinc/69/01/27/720690127.db2.gz ZXZGFAWQMWBHCT-NRFANRHFSA-N 2 1 365.521 3.958 20 0 FHADMP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164845440 720690129 /nfs/dbraw/zinc/69/01/29/720690129.db2.gz ZXZGFAWQMWBHCT-NRFANRHFSA-N 2 1 365.521 3.958 20 0 FHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCCC3)[C@@H]2C ZINC001164863402 720950241 /nfs/dbraw/zinc/95/02/41/720950241.db2.gz ZSIZAFDSTJLTOT-MRXNPFEDSA-N 2 1 353.514 3.578 20 0 FHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCCC3)[C@@H]2C ZINC001164863402 720950251 /nfs/dbraw/zinc/95/02/51/720950251.db2.gz ZSIZAFDSTJLTOT-MRXNPFEDSA-N 2 1 353.514 3.578 20 0 FHADMP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027674 721800874 /nfs/dbraw/zinc/80/08/74/721800874.db2.gz XGACAQNEJTUVTF-CEWLAPEOSA-N 2 1 350.510 3.830 20 0 FHADMP CN(C)c1cccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164992846 722193684 /nfs/dbraw/zinc/19/36/84/722193684.db2.gz BEGUJIIXIOFJAN-OAQYLSRUSA-N 2 1 354.473 3.532 20 0 FHADMP CN(C)c1cccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164992846 722193687 /nfs/dbraw/zinc/19/36/87/722193687.db2.gz BEGUJIIXIOFJAN-OAQYLSRUSA-N 2 1 354.473 3.532 20 0 FHADMP CCc1nc2c(s1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCC2 ZINC000162270963 936370395 /nfs/dbraw/zinc/37/03/95/936370395.db2.gz XKGUJJBDFZVUAO-MRXNPFEDSA-N 2 1 371.554 3.748 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019779 936375631 /nfs/dbraw/zinc/37/56/31/936375631.db2.gz HJUXRAKKNXAAHT-SJLPKXTDSA-N 2 1 370.459 3.983 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019779 936375635 /nfs/dbraw/zinc/37/56/35/936375635.db2.gz HJUXRAKKNXAAHT-SJLPKXTDSA-N 2 1 370.459 3.983 20 0 FHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000579774970 927379200 /nfs/dbraw/zinc/37/92/00/927379200.db2.gz LEOPTQYYVBNKHN-IBGZPJMESA-N 2 1 374.573 3.591 20 0 FHADMP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546327 927425910 /nfs/dbraw/zinc/42/59/10/927425910.db2.gz MPPHYUUDKODSKI-CJNGLKHVSA-N 2 1 365.315 3.927 20 0 FHADMP CCN1CC[C@@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000583207469 937238203 /nfs/dbraw/zinc/23/82/03/937238203.db2.gz QZXDDAMEYCQERC-MJGOQNOKSA-N 2 1 357.464 3.561 20 0 FHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157682687 928431304 /nfs/dbraw/zinc/43/13/04/928431304.db2.gz PAPFVHYAAMTGRJ-JPYJTQIMSA-N 2 1 369.553 3.511 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170471 928458363 /nfs/dbraw/zinc/45/83/63/928458363.db2.gz FGJBNJGFXOAVHK-CZUORRHYSA-N 2 1 370.324 3.786 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000521042950 928524023 /nfs/dbraw/zinc/52/40/23/928524023.db2.gz ZIPNWFCHBHMBHB-LJQANCHMSA-N 2 1 358.526 3.895 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000521042950 928524029 /nfs/dbraw/zinc/52/40/29/928524029.db2.gz ZIPNWFCHBHMBHB-LJQANCHMSA-N 2 1 358.526 3.895 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1NC(C)=O ZINC000162751074 937272151 /nfs/dbraw/zinc/27/21/51/937272151.db2.gz ONHIDBDWNXFBJD-KRWDZBQOSA-N 2 1 369.509 3.826 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1NC(C)=O ZINC000162751074 937272153 /nfs/dbraw/zinc/27/21/53/937272153.db2.gz ONHIDBDWNXFBJD-KRWDZBQOSA-N 2 1 369.509 3.826 20 0 FHADMP CN(CC[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000126450689 937277034 /nfs/dbraw/zinc/27/70/34/937277034.db2.gz BVMAZPIWMPNWES-UHFFFAOYSA-N 2 1 371.491 3.596 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000154498707 928864592 /nfs/dbraw/zinc/86/45/92/928864592.db2.gz UZFVNINZBWGJMS-MRXNPFEDSA-N 2 1 357.464 3.774 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154543818 928917925 /nfs/dbraw/zinc/91/79/25/928917925.db2.gz NIPGBDLACQNJIP-INIZCTEOSA-N 2 1 373.463 3.654 20 0 FHADMP C[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131290 928919951 /nfs/dbraw/zinc/91/99/51/928919951.db2.gz QTRBPGKSMKEAJP-RZUBCFFCSA-N 2 1 371.569 3.668 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000037105912 928997099 /nfs/dbraw/zinc/99/70/99/928997099.db2.gz DEOCDFNZISDNBQ-PRTUASRFSA-N 2 1 353.304 3.734 20 0 FHADMP CCC[NH+]1CCC(Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)CC1 ZINC000153621268 929396444 /nfs/dbraw/zinc/39/64/44/929396444.db2.gz LUVZDGFNRPJEOV-UHFFFAOYSA-N 2 1 372.557 3.706 20 0 FHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750466 937333487 /nfs/dbraw/zinc/33/34/87/937333487.db2.gz AEJIGYJYMGLZPA-HVEPWOEZSA-N 2 1 368.443 3.952 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CC3 ZINC000180701138 929622095 /nfs/dbraw/zinc/62/20/95/929622095.db2.gz XVSYMFSWGJDWCQ-IBGZPJMESA-N 2 1 369.553 3.813 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190014 930350615 /nfs/dbraw/zinc/35/06/15/930350615.db2.gz BDHZXIDLXPJAIS-QFIPXVFZSA-N 2 1 361.549 3.639 20 0 FHADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)o2)n[nH]1 ZINC000683927569 930636648 /nfs/dbraw/zinc/63/66/48/930636648.db2.gz YQZVQSMKTKBWGK-GOSISDBHSA-N 2 1 350.466 3.672 20 0 FHADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)o2)n[nH]1 ZINC000683927569 930636651 /nfs/dbraw/zinc/63/66/51/930636651.db2.gz YQZVQSMKTKBWGK-GOSISDBHSA-N 2 1 350.466 3.672 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000125476429 930640335 /nfs/dbraw/zinc/64/03/35/930640335.db2.gz SEGHIQDOHCBATB-KRWDZBQOSA-N 2 1 370.541 3.697 20 0 FHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000125476429 930640345 /nfs/dbraw/zinc/64/03/45/930640345.db2.gz SEGHIQDOHCBATB-KRWDZBQOSA-N 2 1 370.541 3.697 20 0 FHADMP C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000125598921 930678389 /nfs/dbraw/zinc/67/83/89/930678389.db2.gz OIJOIIAKIQIHLG-LJQANCHMSA-N 2 1 361.549 3.544 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000557040089 930687254 /nfs/dbraw/zinc/68/72/54/930687254.db2.gz XPSBHHFZWYNFGX-LPHOPBHVSA-N 2 1 372.538 3.672 20 0 FHADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000129922354 930765260 /nfs/dbraw/zinc/76/52/60/930765260.db2.gz TYLNUAUYWFIKCJ-KRWDZBQOSA-N 2 1 364.493 3.751 20 0 FHADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000129922354 930765267 /nfs/dbraw/zinc/76/52/67/930765267.db2.gz TYLNUAUYWFIKCJ-KRWDZBQOSA-N 2 1 364.493 3.751 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000580588813 930896094 /nfs/dbraw/zinc/89/60/94/930896094.db2.gz VZWTYWUKEJMJAI-NRFANRHFSA-N 2 1 350.466 3.559 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126836180 931244644 /nfs/dbraw/zinc/24/46/44/931244644.db2.gz IZSNNROYRDLANF-PMACEKPBSA-N 2 1 358.551 3.807 20 0 FHADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126836180 931244655 /nfs/dbraw/zinc/24/46/55/931244655.db2.gz IZSNNROYRDLANF-PMACEKPBSA-N 2 1 358.551 3.807 20 0 FHADMP c1ccc(C[C@H]2CC[N@@H+]2C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326532 /nfs/dbraw/zinc/32/65/32/931326532.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@H]2CCN2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326540 /nfs/dbraw/zinc/32/65/40/931326540.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 1 350.506 3.595 20 0 FHADMP c1ccc(C[C@H]2CCN2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326552 /nfs/dbraw/zinc/32/65/52/931326552.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 1 350.506 3.595 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(SC(F)F)cc1 ZINC000160749635 931528182 /nfs/dbraw/zinc/52/81/82/931528182.db2.gz WXLUSMVSXUWLKX-GOEBONIOSA-N 2 1 358.498 3.889 20 0 FHADMP c1nc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403536 931591952 /nfs/dbraw/zinc/59/19/52/931591952.db2.gz BLOZFPTZZXSKFG-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403536 931591956 /nfs/dbraw/zinc/59/19/56/931591956.db2.gz BLOZFPTZZXSKFG-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403536 931591963 /nfs/dbraw/zinc/59/19/63/931591963.db2.gz BLOZFPTZZXSKFG-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP c1nc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000656403536 931591969 /nfs/dbraw/zinc/59/19/69/931591969.db2.gz BLOZFPTZZXSKFG-WJMWBRGCSA-N 2 1 353.535 3.528 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCc2ccncc2)cc1 ZINC000656403632 931592035 /nfs/dbraw/zinc/59/20/35/931592035.db2.gz BUAXKVMBZUCQNZ-KEZOAJOQSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCc2ccncc2)cc1 ZINC000656403632 931592042 /nfs/dbraw/zinc/59/20/42/931592042.db2.gz BUAXKVMBZUCQNZ-KEZOAJOQSA-N 2 1 361.533 3.857 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCc2ccncc2)cc1 ZINC000656403632 931592048 /nfs/dbraw/zinc/59/20/48/931592048.db2.gz BUAXKVMBZUCQNZ-KEZOAJOQSA-N 2 1 361.533 3.857 20 0 FHADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190174 931651371 /nfs/dbraw/zinc/65/13/71/931651371.db2.gz KMIAMNPBIBCODM-PZJWPPBQSA-N 2 1 356.554 3.962 20 0 FHADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190174 931651374 /nfs/dbraw/zinc/65/13/74/931651374.db2.gz KMIAMNPBIBCODM-PZJWPPBQSA-N 2 1 356.554 3.962 20 0 FHADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn2)c1 ZINC000581207100 931674794 /nfs/dbraw/zinc/67/47/94/931674794.db2.gz YNOFYAACSRBXRM-PWRODBHTSA-N 2 1 367.493 3.845 20 0 FHADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164254 931690448 /nfs/dbraw/zinc/69/04/48/931690448.db2.gz UXLREKZVMUVPNT-OAQYLSRUSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164254 931690451 /nfs/dbraw/zinc/69/04/51/931690451.db2.gz UXLREKZVMUVPNT-OAQYLSRUSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164254 931690455 /nfs/dbraw/zinc/69/04/55/931690455.db2.gz UXLREKZVMUVPNT-OAQYLSRUSA-N 2 1 371.569 3.669 20 0 FHADMP C[N@@H+](CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000684163253 931692931 /nfs/dbraw/zinc/69/29/31/931692931.db2.gz IUBGBGRSLXTNQU-UHFFFAOYSA-N 2 1 371.569 3.669 20 0 FHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000430570260 931903494 /nfs/dbraw/zinc/90/34/94/931903494.db2.gz MYEGYDHALCCERB-WIYYLYMNSA-N 2 1 373.566 3.649 20 0 FHADMP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]Cc3ccccn3)CC2)cc1 ZINC000075800066 932341085 /nfs/dbraw/zinc/34/10/85/932341085.db2.gz YBBUXNKQJAEULO-UHFFFAOYSA-N 2 1 372.516 3.694 20 0 FHADMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000076399919 932377313 /nfs/dbraw/zinc/37/73/13/932377313.db2.gz JGMMCQLGHLHYGZ-UHFFFAOYSA-N 2 1 374.550 3.836 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784039 932420078 /nfs/dbraw/zinc/42/00/78/932420078.db2.gz CGURDIHNPCMQLZ-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684394288 932528630 /nfs/dbraw/zinc/52/86/30/932528630.db2.gz GWPLRPWCSOTRBH-BAGYTPMASA-N 2 1 352.526 3.854 20 0 FHADMP CC[C@H](C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000581782044 932670237 /nfs/dbraw/zinc/67/02/37/932670237.db2.gz OLOFEDMHBIFJQZ-PCCBWWKXSA-N 2 1 374.569 3.770 20 0 FHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000067059773 932723651 /nfs/dbraw/zinc/72/36/51/932723651.db2.gz MBJMJUJDCDZBFF-OALUTQOASA-N 2 1 374.573 3.543 20 0 FHADMP COc1ccc(C[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(OC)cc2)cc1 ZINC000471755165 932797160 /nfs/dbraw/zinc/79/71/60/932797160.db2.gz BQQFLXCLQXZDEC-JOCHJYFZSA-N 2 1 365.477 3.553 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117614 933011022 /nfs/dbraw/zinc/01/10/22/933011022.db2.gz GLIOOYSTDOJXMS-SQNIBIBYSA-N 2 1 353.551 3.629 20 0 FHADMP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835798 933088043 /nfs/dbraw/zinc/08/80/43/933088043.db2.gz QKWHZQKRNFHUKH-IFMALSPDSA-N 2 1 365.521 3.606 20 0 FHADMP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835798 933088049 /nfs/dbraw/zinc/08/80/49/933088049.db2.gz QKWHZQKRNFHUKH-IFMALSPDSA-N 2 1 365.521 3.606 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845734 933120919 /nfs/dbraw/zinc/12/09/19/933120919.db2.gz LQFGKAVPVUAXSP-RBUKOAKNSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845734 933120929 /nfs/dbraw/zinc/12/09/29/933120929.db2.gz LQFGKAVPVUAXSP-RBUKOAKNSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845733 933120938 /nfs/dbraw/zinc/12/09/38/933120938.db2.gz LQFGKAVPVUAXSP-OALUTQOASA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845733 933120943 /nfs/dbraw/zinc/12/09/43/933120943.db2.gz LQFGKAVPVUAXSP-OALUTQOASA-N 2 1 366.465 3.502 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000430768865 933222009 /nfs/dbraw/zinc/22/20/09/933222009.db2.gz MMWJYELREKTPIC-KKSFZXQISA-N 2 1 367.493 3.708 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000430768865 933222011 /nfs/dbraw/zinc/22/20/11/933222011.db2.gz MMWJYELREKTPIC-KKSFZXQISA-N 2 1 367.493 3.708 20 0 FHADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000430948498 933473484 /nfs/dbraw/zinc/47/34/84/933473484.db2.gz JQIOLXCYCXVQDA-AGIUHOORSA-N 2 1 374.554 3.642 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952019 933561577 /nfs/dbraw/zinc/56/15/77/933561577.db2.gz UJZYTPJIBXAOCH-XJKSGUPXSA-N 2 1 370.324 3.786 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510834066 933828988 /nfs/dbraw/zinc/82/89/88/933828988.db2.gz AFVURWMHHWEKSD-LJQANCHMSA-N 2 1 371.569 3.913 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510834066 933828995 /nfs/dbraw/zinc/82/89/95/933828995.db2.gz AFVURWMHHWEKSD-LJQANCHMSA-N 2 1 371.569 3.913 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510834066 933829001 /nfs/dbraw/zinc/82/90/01/933829001.db2.gz AFVURWMHHWEKSD-LJQANCHMSA-N 2 1 371.569 3.913 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000510871439 933915447 /nfs/dbraw/zinc/91/54/47/933915447.db2.gz FMFVBAJMBAXTPH-UHFFFAOYSA-N 2 1 365.565 3.682 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003248 934159156 /nfs/dbraw/zinc/15/91/56/934159156.db2.gz CDBPNZGRKYGHMB-DZFGPLHGSA-N 2 1 366.505 3.930 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]21 ZINC000262095762 934166478 /nfs/dbraw/zinc/16/64/78/934166478.db2.gz IJBOUKDTAUPCJG-SRCQZFHVSA-N 2 1 360.299 3.557 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000684579542 934169928 /nfs/dbraw/zinc/16/99/28/934169928.db2.gz IWTWSRFJEGHGDF-GOSISDBHSA-N 2 1 363.461 3.509 20 0 FHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000510953459 934219061 /nfs/dbraw/zinc/21/90/61/934219061.db2.gz VDPLUSTZSUGRIO-INIZCTEOSA-N 2 1 371.491 3.642 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000510948774 934220935 /nfs/dbraw/zinc/22/09/35/934220935.db2.gz IYJJHQKWROWWAH-VQIMIIECSA-N 2 1 374.475 3.642 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000510984901 934254100 /nfs/dbraw/zinc/25/41/00/934254100.db2.gz YQYSWJWSGGGNAY-OAHLLOKOSA-N 2 1 352.251 3.760 20 0 FHADMP C(CC[N@H+]1CCC[C@]2(CCCOC2)C1)C[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000535724148 934311832 /nfs/dbraw/zinc/31/18/32/934311832.db2.gz JLEAAJXKXWLQRF-SZPZYZBQSA-N 2 1 364.574 3.552 20 0 FHADMP C(CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000535724148 934311845 /nfs/dbraw/zinc/31/18/45/934311845.db2.gz JLEAAJXKXWLQRF-SZPZYZBQSA-N 2 1 364.574 3.552 20 0 FHADMP C(CC[N@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000535724148 934311852 /nfs/dbraw/zinc/31/18/52/934311852.db2.gz JLEAAJXKXWLQRF-SZPZYZBQSA-N 2 1 364.574 3.552 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC(F)F ZINC000535811374 934402074 /nfs/dbraw/zinc/40/20/74/934402074.db2.gz PBSYCIBFYKDAMP-UHFFFAOYSA-N 2 1 356.457 3.849 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000535811393 934403098 /nfs/dbraw/zinc/40/30/98/934403098.db2.gz SHJCJOYGWXAFSG-UHFFFAOYSA-N 2 1 370.440 3.569 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000535811393 934403106 /nfs/dbraw/zinc/40/31/06/934403106.db2.gz SHJCJOYGWXAFSG-UHFFFAOYSA-N 2 1 370.440 3.569 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000535806451 934412987 /nfs/dbraw/zinc/41/29/87/934412987.db2.gz WPLBAGLODGWZAR-HZPDHXFCSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000535806451 934412990 /nfs/dbraw/zinc/41/29/90/934412990.db2.gz WPLBAGLODGWZAR-HZPDHXFCSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000535806451 934412996 /nfs/dbraw/zinc/41/29/96/934412996.db2.gz WPLBAGLODGWZAR-HZPDHXFCSA-N 2 1 372.431 3.552 20 0 FHADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000535806451 934413000 /nfs/dbraw/zinc/41/30/00/934413000.db2.gz WPLBAGLODGWZAR-HZPDHXFCSA-N 2 1 372.431 3.552 20 0 FHADMP C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276998683 934431913 /nfs/dbraw/zinc/43/19/13/934431913.db2.gz YWNSJMJHDROFDM-OWCLPIDISA-N 2 1 358.486 3.611 20 0 FHADMP CO[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504411 934871316 /nfs/dbraw/zinc/87/13/16/934871316.db2.gz LFQCIZJMOAYQKE-DENIHFKCSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504411 934871321 /nfs/dbraw/zinc/87/13/21/934871321.db2.gz LFQCIZJMOAYQKE-DENIHFKCSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504411 934871326 /nfs/dbraw/zinc/87/13/26/934871326.db2.gz LFQCIZJMOAYQKE-DENIHFKCSA-N 2 1 356.485 3.967 20 0 FHADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504411 934871330 /nfs/dbraw/zinc/87/13/30/934871330.db2.gz LFQCIZJMOAYQKE-DENIHFKCSA-N 2 1 356.485 3.967 20 0 FHADMP C[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@@H]1CCCC[NH+]1C ZINC001167508942 935014466 /nfs/dbraw/zinc/01/44/66/935014466.db2.gz KDZVRTLCBXZBBP-KRWDZBQOSA-N 2 1 353.551 3.582 20 0 FHADMP C[NH+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC001167508942 935014473 /nfs/dbraw/zinc/01/44/73/935014473.db2.gz KDZVRTLCBXZBBP-KRWDZBQOSA-N 2 1 353.551 3.582 20 0 FHADMP C[NH+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@@H]1CCCC[N@H+]1C ZINC001167508942 935014479 /nfs/dbraw/zinc/01/44/79/935014479.db2.gz KDZVRTLCBXZBBP-KRWDZBQOSA-N 2 1 353.551 3.582 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000511047956 935053729 /nfs/dbraw/zinc/05/37/29/935053729.db2.gz JGUKBNNNEFFNNO-INIZCTEOSA-N 2 1 364.287 3.848 20 0 FHADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000506379141 945074596 /nfs/dbraw/zinc/07/45/96/945074596.db2.gz FQCATHVSBZOUME-UHFFFAOYSA-N 2 1 356.457 3.991 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494007 935090025 /nfs/dbraw/zinc/09/00/25/935090025.db2.gz HVYHIUWFGREOEX-APWZRJJASA-N 2 1 366.509 3.995 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494007 935090029 /nfs/dbraw/zinc/09/00/29/935090029.db2.gz HVYHIUWFGREOEX-APWZRJJASA-N 2 1 366.509 3.995 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494007 935090034 /nfs/dbraw/zinc/09/00/34/935090034.db2.gz HVYHIUWFGREOEX-APWZRJJASA-N 2 1 366.509 3.995 20 0 FHADMP COc1ccsc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000472128071 935101474 /nfs/dbraw/zinc/10/14/74/935101474.db2.gz LWGQNILKFWCFOC-IEBWSBKVSA-N 2 1 373.566 3.786 20 0 FHADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2)C1CCCCC1 ZINC000657323690 935214096 /nfs/dbraw/zinc/21/40/96/935214096.db2.gz HCNFXACYOURCKE-UHFFFAOYSA-N 2 1 352.526 3.884 20 0 FHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2)C1CCCCC1 ZINC000657323690 935214099 /nfs/dbraw/zinc/21/40/99/935214099.db2.gz HCNFXACYOURCKE-UHFFFAOYSA-N 2 1 352.526 3.884 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873899 935217289 /nfs/dbraw/zinc/21/72/89/935217289.db2.gz TWZYJSKIHDLJII-HOTGVXAUSA-N 2 1 370.534 3.534 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657337876 935265789 /nfs/dbraw/zinc/26/57/89/935265789.db2.gz DXVYUYGTEZJZND-ZDUSSCGKSA-N 2 1 372.460 3.502 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657337876 935265794 /nfs/dbraw/zinc/26/57/94/935265794.db2.gz DXVYUYGTEZJZND-ZDUSSCGKSA-N 2 1 372.460 3.502 20 0 FHADMP C[NH+](C)CCOc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000684768362 935317047 /nfs/dbraw/zinc/31/70/47/935317047.db2.gz ZTQVACHHSFDLQH-OAQYLSRUSA-N 2 1 359.558 3.514 20 0 FHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)cc1 ZINC000684768362 935317054 /nfs/dbraw/zinc/31/70/54/935317054.db2.gz ZTQVACHHSFDLQH-OAQYLSRUSA-N 2 1 359.558 3.514 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000582181852 935382492 /nfs/dbraw/zinc/38/24/92/935382492.db2.gz VRSKDZDIAGIAAK-XRULBBBTSA-N 2 1 363.505 3.740 20 0 FHADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554331 935389948 /nfs/dbraw/zinc/38/99/48/935389948.db2.gz NVBZDUAEWFQHSM-PKTZIBPZSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554331 935389955 /nfs/dbraw/zinc/38/99/55/935389955.db2.gz NVBZDUAEWFQHSM-PKTZIBPZSA-N 2 1 356.554 3.916 20 0 FHADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554331 935389961 /nfs/dbraw/zinc/38/99/61/935389961.db2.gz NVBZDUAEWFQHSM-PKTZIBPZSA-N 2 1 356.554 3.916 20 0 FHADMP COCc1csc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000657373661 935449388 /nfs/dbraw/zinc/44/93/88/935449388.db2.gz YVJSOZKYIGAYCG-UHFFFAOYSA-N 2 1 363.527 3.501 20 0 FHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300970 935500052 /nfs/dbraw/zinc/50/00/52/935500052.db2.gz MOMWHOWIXBZIGV-YADHBBJMSA-N 2 1 368.496 3.516 20 0 FHADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1cccc(F)c1 ZINC000582300970 935500056 /nfs/dbraw/zinc/50/00/56/935500056.db2.gz MOMWHOWIXBZIGV-YADHBBJMSA-N 2 1 368.496 3.516 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[N@@H+]1CCc2ccccc2C1 ZINC000684850202 935625725 /nfs/dbraw/zinc/62/57/25/935625725.db2.gz NRFBXBVFJFQAQC-QGZVFWFLSA-N 2 1 372.472 3.632 20 0 FHADMP C[C@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[N@H+]1CCc2ccccc2C1 ZINC000684850202 935625728 /nfs/dbraw/zinc/62/57/28/935625728.db2.gz NRFBXBVFJFQAQC-QGZVFWFLSA-N 2 1 372.472 3.632 20 0 FHADMP C[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000237109835 935751222 /nfs/dbraw/zinc/75/12/22/935751222.db2.gz NRUAWRLTGYASSV-CQSZACIVSA-N 2 1 370.337 3.742 20 0 FHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc4occc4c3)CC2)C[C@H](C)O1 ZINC000582573811 935843601 /nfs/dbraw/zinc/84/36/01/935843601.db2.gz UXIYUNBSIRBLPY-HDICACEKSA-N 2 1 372.509 3.523 20 0 FHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc4occc4c3)CC2)C[C@H](C)O1 ZINC000582573811 935843602 /nfs/dbraw/zinc/84/36/02/935843602.db2.gz UXIYUNBSIRBLPY-HDICACEKSA-N 2 1 372.509 3.523 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000582606802 935865915 /nfs/dbraw/zinc/86/59/15/935865915.db2.gz XEOLYVHYWGLLKD-WBVHZDCISA-N 2 1 363.933 3.605 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000582660583 935920727 /nfs/dbraw/zinc/92/07/27/935920727.db2.gz KBQNCKLHMOLJJS-VOQZNFBZSA-N 2 1 372.940 3.886 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000582660583 935920730 /nfs/dbraw/zinc/92/07/30/935920730.db2.gz KBQNCKLHMOLJJS-VOQZNFBZSA-N 2 1 372.940 3.886 20 0 FHADMP CC(C)(C)c1ncc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000582698199 935953981 /nfs/dbraw/zinc/95/39/81/935953981.db2.gz XOYXNQPJNGHQGU-NHCUHLMSSA-N 2 1 364.537 3.728 20 0 FHADMP CC(C)(C)c1ncc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000582698200 935954038 /nfs/dbraw/zinc/95/40/38/935954038.db2.gz XOYXNQPJNGHQGU-RTWAWAEBSA-N 2 1 364.537 3.728 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000075007993 936003102 /nfs/dbraw/zinc/00/31/02/936003102.db2.gz MRDBRNOFGHSSLX-UHFFFAOYSA-N 2 1 371.525 3.973 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657572054 936041085 /nfs/dbraw/zinc/04/10/85/936041085.db2.gz GBQWXJWBTYYBJW-UGKGYDQZSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000657572054 936041088 /nfs/dbraw/zinc/04/10/88/936041088.db2.gz GBQWXJWBTYYBJW-UGKGYDQZSA-N 2 1 364.537 3.825 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237472269 936068898 /nfs/dbraw/zinc/06/88/98/936068898.db2.gz CIAWYZURMDEAKY-XMSQKQJNSA-N 2 1 365.521 3.625 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597221 936073038 /nfs/dbraw/zinc/07/30/38/936073038.db2.gz RBEFFKREFSPOPK-PMACEKPBSA-N 2 1 370.924 3.554 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)C1 ZINC000657594957 936075695 /nfs/dbraw/zinc/07/56/95/936075695.db2.gz LRRYTXSEDQAPFB-NRFANRHFSA-N 2 1 362.473 3.803 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cc2)C1 ZINC000657597656 936081142 /nfs/dbraw/zinc/08/11/42/936081142.db2.gz WDDIFHNAPIKBAJ-QHCPKHFHSA-N 2 1 350.506 3.811 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000657599166 936081863 /nfs/dbraw/zinc/08/18/63/936081863.db2.gz PFOZMSHJHZGRSN-SFTDATJTSA-N 2 1 371.569 3.668 20 0 FHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000414961234 945147627 /nfs/dbraw/zinc/14/76/27/945147627.db2.gz YQTLAKGENJOSOU-BEFAXECRSA-N 2 1 358.457 3.643 20 0 FHADMP Brc1ccc(CC2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660772 936182104 /nfs/dbraw/zinc/18/21/04/936182104.db2.gz RBWHIUAZIGRKJY-MSOLQXFVSA-N 2 1 363.343 3.988 20 0 FHADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167624993 936188147 /nfs/dbraw/zinc/18/81/47/936188147.db2.gz ORRSVRZPJCMWSM-QGZVFWFLSA-N 3 1 369.557 3.836 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582840085 936206160 /nfs/dbraw/zinc/20/61/60/936206160.db2.gz DGHYZTZLNCAZAO-HNNXBMFYSA-N 2 1 353.457 3.538 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000657687298 936249660 /nfs/dbraw/zinc/24/96/60/936249660.db2.gz HAFXFCHOGFFVRF-HWHRFOGPSA-N 2 1 366.553 3.774 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000657687298 936249664 /nfs/dbraw/zinc/24/96/64/936249664.db2.gz HAFXFCHOGFFVRF-HWHRFOGPSA-N 2 1 366.553 3.774 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000472270979 936264524 /nfs/dbraw/zinc/26/45/24/936264524.db2.gz ANVGGFGCIYAZEI-INIZCTEOSA-N 2 1 363.527 3.644 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000472270979 936264527 /nfs/dbraw/zinc/26/45/27/936264527.db2.gz ANVGGFGCIYAZEI-INIZCTEOSA-N 2 1 363.527 3.644 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000582905391 936278899 /nfs/dbraw/zinc/27/88/99/936278899.db2.gz NQLPHQZPFGMZOL-GOSISDBHSA-N 2 1 370.459 3.715 20 0 FHADMP Cc1cc(C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)n1CCc1cccs1 ZINC000583440968 938255020 /nfs/dbraw/zinc/25/50/20/938255020.db2.gz GRSSQPZNXJDQDM-INIZCTEOSA-N 2 1 373.566 3.651 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000650706432 938285809 /nfs/dbraw/zinc/28/58/09/938285809.db2.gz KNVJYUSJXPENFW-YQVWRLOYSA-N 2 1 357.523 3.528 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000650707413 938289281 /nfs/dbraw/zinc/28/92/81/938289281.db2.gz FGRHSDCQGXHIBQ-MDZRGWNJSA-N 2 1 359.901 3.607 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OCc1cccs1 ZINC000650709235 938290623 /nfs/dbraw/zinc/29/06/23/938290623.db2.gz LJYKPRZTPANNRS-UWJYYQICSA-N 2 1 372.534 3.897 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000414962339 945162975 /nfs/dbraw/zinc/16/29/75/945162975.db2.gz ZPMGTTZZJFXBQS-SKDRFNHKSA-N 2 1 351.210 3.698 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000650711976 938296462 /nfs/dbraw/zinc/29/64/62/938296462.db2.gz LHINLLMVKAKQQM-HIFRSBDPSA-N 2 1 360.420 3.586 20 0 FHADMP Cn1c2ccccc2nc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771290 938306800 /nfs/dbraw/zinc/30/68/00/938306800.db2.gz ANICIUIEHLBKFU-FQEVSTJZSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1c2ccccc2nc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771290 938306801 /nfs/dbraw/zinc/30/68/01/938306801.db2.gz ANICIUIEHLBKFU-FQEVSTJZSA-N 2 1 374.532 3.965 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(C)c1OC(F)F ZINC000650721835 938310426 /nfs/dbraw/zinc/31/04/26/938310426.db2.gz CWPRIHSOKPDPCE-KURKYZTESA-N 2 1 368.468 3.766 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000650723472 938310637 /nfs/dbraw/zinc/31/06/37/938310637.db2.gz OPNHVWCJNLPBAL-FRFSOERESA-N 2 1 374.859 3.802 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000650723848 938311002 /nfs/dbraw/zinc/31/10/02/938311002.db2.gz UXUZGJMTPKTORX-YPAWHYETSA-N 2 1 351.494 3.609 20 0 FHADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773511 938311350 /nfs/dbraw/zinc/31/13/50/938311350.db2.gz RUALXYPWJADSRW-OAQYLSRUSA-N 2 1 366.553 3.931 20 0 FHADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773511 938311351 /nfs/dbraw/zinc/31/13/51/938311351.db2.gz RUALXYPWJADSRW-OAQYLSRUSA-N 2 1 366.553 3.931 20 0 FHADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000128698071 938315648 /nfs/dbraw/zinc/31/56/48/938315648.db2.gz MUABAXLYGCQFKA-UHFFFAOYSA-N 2 1 354.450 3.941 20 0 FHADMP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(C(F)F)n1 ZINC000657774308 938317056 /nfs/dbraw/zinc/31/70/56/938317056.db2.gz YJUPGFTVULGBKV-SFHVURJKSA-N 2 1 374.479 3.750 20 0 FHADMP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C(F)F)n1 ZINC000657774308 938317057 /nfs/dbraw/zinc/31/70/57/938317057.db2.gz YJUPGFTVULGBKV-SFHVURJKSA-N 2 1 374.479 3.750 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000583693149 938360850 /nfs/dbraw/zinc/36/08/50/938360850.db2.gz AAXXFTHTMYUHIT-YYWHXJBOSA-N 2 1 372.944 3.761 20 0 FHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000583759691 938394185 /nfs/dbraw/zinc/39/41/85/938394185.db2.gz VDWPFEZLMLIFLL-OTWHNJEPSA-N 2 1 355.530 3.676 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000583800352 938418891 /nfs/dbraw/zinc/41/88/91/938418891.db2.gz OYUSSLRDIYAWEY-LJQANCHMSA-N 2 1 352.526 3.703 20 0 FHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151165613 938438411 /nfs/dbraw/zinc/43/84/11/938438411.db2.gz ZGVCMWVWRCCQMT-GPMSIDNRSA-N 2 1 350.934 3.707 20 0 FHADMP Fc1cncc([C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)c1 ZINC000467353966 945179751 /nfs/dbraw/zinc/17/97/51/945179751.db2.gz BXHOWOCKHWUKPU-XMSQKQJNSA-N 2 1 353.485 3.826 20 0 FHADMP C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1OCc1ccccc1 ZINC000151360453 938534082 /nfs/dbraw/zinc/53/40/82/938534082.db2.gz OTQBPNQGRUCZBL-IBGZPJMESA-N 2 1 368.521 3.763 20 0 FHADMP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)c1OC ZINC000584076012 938584725 /nfs/dbraw/zinc/58/47/25/938584725.db2.gz HBXYBFIXWZWISS-UHFFFAOYSA-N 2 1 369.440 3.935 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657834762 938632642 /nfs/dbraw/zinc/63/26/42/938632642.db2.gz BJGKGHFQXSUTSF-CVDCTZTESA-N 2 1 374.569 3.840 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4ccoc4c3)CC2)CC1 ZINC000584300141 938676825 /nfs/dbraw/zinc/67/68/25/938676825.db2.gz INTXZELTJRRCRY-UHFFFAOYSA-N 2 1 355.482 3.568 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302094 938677607 /nfs/dbraw/zinc/67/76/07/938677607.db2.gz RYOZKHSTTYNDMM-OWYHZJEWSA-N 2 1 369.475 3.948 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302094 938677608 /nfs/dbraw/zinc/67/76/08/938677608.db2.gz RYOZKHSTTYNDMM-OWYHZJEWSA-N 2 1 369.475 3.948 20 0 FHADMP FC(F)(F)c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000628185238 938684635 /nfs/dbraw/zinc/68/46/35/938684635.db2.gz RALHNTUWFVORPY-UHFFFAOYSA-N 2 1 362.461 3.844 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccnc(OC)c3)CC2)cs1 ZINC000519180327 945196014 /nfs/dbraw/zinc/19/60/14/945196014.db2.gz PWAOBGCQDRKKGX-OAHLLOKOSA-N 2 1 374.554 3.672 20 0 FHADMP CC(C)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000091284264 938899151 /nfs/dbraw/zinc/89/91/51/938899151.db2.gz FIKUHDHVWOPFCG-DHIUTWEWSA-N 2 1 366.553 3.747 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cccnc3)C(C)C)cc2)CC1 ZINC000091287222 938899532 /nfs/dbraw/zinc/89/95/32/938899532.db2.gz XVUOHEFMULHHNV-QHCPKHFHSA-N 2 1 366.553 3.706 20 0 FHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741887 938929520 /nfs/dbraw/zinc/92/95/20/938929520.db2.gz GOADKUBFDRXEQK-NRFANRHFSA-N 2 1 354.542 3.712 20 0 FHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741887 938929521 /nfs/dbraw/zinc/92/95/21/938929521.db2.gz GOADKUBFDRXEQK-NRFANRHFSA-N 2 1 354.542 3.712 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741887 938929523 /nfs/dbraw/zinc/92/95/23/938929523.db2.gz GOADKUBFDRXEQK-NRFANRHFSA-N 2 1 354.542 3.712 20 0 FHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741887 938929524 /nfs/dbraw/zinc/92/95/24/938929524.db2.gz GOADKUBFDRXEQK-NRFANRHFSA-N 2 1 354.542 3.712 20 0 FHADMP CCn1c2ccccc2nc1C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000093769496 938930132 /nfs/dbraw/zinc/93/01/32/938930132.db2.gz LHGBJAJJYPHHCK-UHFFFAOYSA-N 2 1 372.557 3.627 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000093414981 938933669 /nfs/dbraw/zinc/93/36/69/938933669.db2.gz JORLAYIZZQXIGK-UHFFFAOYSA-N 2 1 359.558 3.608 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000431554443 938965014 /nfs/dbraw/zinc/96/50/14/938965014.db2.gz AFFBAMHCKBHNNP-OAQYLSRUSA-N 2 1 359.558 3.554 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc4cnccc4o3)CC2)oc1C ZINC000657877381 938965859 /nfs/dbraw/zinc/96/58/59/938965859.db2.gz JJCWDHKRFJRLOR-HNNXBMFYSA-N 2 1 368.481 3.995 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)CC1 ZINC000685462837 938988637 /nfs/dbraw/zinc/98/86/37/938988637.db2.gz OYNRGXWGGLACPY-LJQANCHMSA-N 2 1 372.944 3.749 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000685463137 938988652 /nfs/dbraw/zinc/98/86/52/938988652.db2.gz OWNSXTCHYUZBTH-CYBMUJFWSA-N 2 1 373.285 3.891 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000685463137 938988653 /nfs/dbraw/zinc/98/86/53/938988653.db2.gz OWNSXTCHYUZBTH-CYBMUJFWSA-N 2 1 373.285 3.891 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1O ZINC000685646854 939007683 /nfs/dbraw/zinc/00/76/83/939007683.db2.gz UFSSPNLYRPDXCD-IEBWSBKVSA-N 2 1 354.494 3.616 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000685646854 939007684 /nfs/dbraw/zinc/00/76/84/939007684.db2.gz UFSSPNLYRPDXCD-IEBWSBKVSA-N 2 1 354.494 3.616 20 0 FHADMP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657936163 939009379 /nfs/dbraw/zinc/00/93/79/939009379.db2.gz DTCAKDKUCXHAEG-GOSISDBHSA-N 2 1 351.332 3.868 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2ccncc2s1 ZINC000657969267 939013525 /nfs/dbraw/zinc/01/35/25/939013525.db2.gz LLYCMQHACQPPRH-HNAYVOBHSA-N 2 1 367.518 3.714 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135368 939030335 /nfs/dbraw/zinc/03/03/35/939030335.db2.gz DIKFASYRFPUZDZ-BEFAXECRSA-N 2 1 356.535 3.654 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)[C@H](C)C1 ZINC000658126669 939034040 /nfs/dbraw/zinc/03/40/40/939034040.db2.gz HCSFSNWGRNMSFO-WIYYLYMNSA-N 2 1 355.526 3.504 20 0 FHADMP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142153 939035492 /nfs/dbraw/zinc/03/54/92/939035492.db2.gz VCFULSFEYPPMAE-HNAYVOBHSA-N 2 1 374.525 3.965 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142137 939035550 /nfs/dbraw/zinc/03/55/50/939035550.db2.gz VBRKOFRAQOQURA-AVRDEDQJSA-N 2 1 352.522 3.709 20 0 FHADMP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137193 939040452 /nfs/dbraw/zinc/04/04/52/939040452.db2.gz JROHRFZNJFSHKS-UWJYYQICSA-N 2 1 370.562 3.696 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)cc2)C1 ZINC000658137695 939040521 /nfs/dbraw/zinc/04/05/21/939040521.db2.gz IALICVXZVYEYBU-ZLNRFVROSA-N 2 1 350.506 3.679 20 0 FHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(C)C)cc1 ZINC000658137629 939041302 /nfs/dbraw/zinc/04/13/02/939041302.db2.gz KUCWNZQEWBOTKH-GGAORHGYSA-N 2 1 368.521 3.749 20 0 FHADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137384 939041400 /nfs/dbraw/zinc/04/14/00/939041400.db2.gz GNMCBWBTJLJDSS-KXBFYZLASA-N 2 1 373.566 3.992 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138111 939042514 /nfs/dbraw/zinc/04/25/14/939042514.db2.gz MSJDGFUHFVZMCJ-UWJYYQICSA-N 2 1 361.489 3.652 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140784 939043505 /nfs/dbraw/zinc/04/35/05/939043505.db2.gz RCDAQSVDZNVAGB-CXAGYDPISA-N 2 1 364.411 3.521 20 0 FHADMP Fc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000658230303 939075208 /nfs/dbraw/zinc/07/52/08/939075208.db2.gz XSPMQVBTLIJDTK-GOSISDBHSA-N 2 1 363.496 3.930 20 0 FHADMP Fc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000658230303 939075210 /nfs/dbraw/zinc/07/52/10/939075210.db2.gz XSPMQVBTLIJDTK-GOSISDBHSA-N 2 1 363.496 3.930 20 0 FHADMP CC(C)[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320572 939111155 /nfs/dbraw/zinc/11/11/55/939111155.db2.gz ZTVOLDNRKIEIEA-NRFANRHFSA-N 2 1 355.570 3.751 20 0 FHADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320572 939111156 /nfs/dbraw/zinc/11/11/56/939111156.db2.gz ZTVOLDNRKIEIEA-NRFANRHFSA-N 3 1 355.570 3.751 20 0 FHADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320572 939111157 /nfs/dbraw/zinc/11/11/57/939111157.db2.gz ZTVOLDNRKIEIEA-NRFANRHFSA-N 3 1 355.570 3.751 20 0 FHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319783 939111608 /nfs/dbraw/zinc/11/16/08/939111608.db2.gz IVRRUHQRQAIIGS-CTNGQTDRSA-N 2 1 371.569 3.525 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)c1 ZINC000421826777 939123078 /nfs/dbraw/zinc/12/30/78/939123078.db2.gz USANBHWGPLOCFB-IEBWSBKVSA-N 2 1 355.551 3.892 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)c1 ZINC000421826777 939123081 /nfs/dbraw/zinc/12/30/81/939123081.db2.gz USANBHWGPLOCFB-IEBWSBKVSA-N 2 1 355.551 3.892 20 0 FHADMP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000289363676 945230567 /nfs/dbraw/zinc/23/05/67/945230567.db2.gz YZGALCCKRYDSNX-HOTGVXAUSA-N 2 1 359.539 3.861 20 0 FHADMP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519229081 945234103 /nfs/dbraw/zinc/23/41/03/945234103.db2.gz MUKYPUFOEOCNDI-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519229081 945234116 /nfs/dbraw/zinc/23/41/16/945234116.db2.gz MUKYPUFOEOCNDI-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519229081 945234121 /nfs/dbraw/zinc/23/41/21/945234121.db2.gz MUKYPUFOEOCNDI-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519229081 945234125 /nfs/dbraw/zinc/23/41/25/945234125.db2.gz MUKYPUFOEOCNDI-GOSISDBHSA-N 2 1 372.534 3.797 20 0 FHADMP CCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000518267639 945271349 /nfs/dbraw/zinc/27/13/49/945271349.db2.gz OCBUGJPIRVGMIL-HSZRJFAPSA-N 2 1 367.537 3.554 20 0 FHADMP OCC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507516760 945279989 /nfs/dbraw/zinc/27/99/89/945279989.db2.gz WTAMVSVSRMOMCC-KAOXLYBCSA-N 2 1 350.506 3.610 20 0 FHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431635629 939913202 /nfs/dbraw/zinc/91/32/02/939913202.db2.gz LQZHORIRCAHBDF-QFIPXVFZSA-N 2 1 369.553 3.696 20 0 FHADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000569724445 939938633 /nfs/dbraw/zinc/93/86/33/939938633.db2.gz ZJWYKGLCCILIOR-FCHUYYIVSA-N 2 1 350.506 3.549 20 0 FHADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000569724445 939938639 /nfs/dbraw/zinc/93/86/39/939938639.db2.gz ZJWYKGLCCILIOR-FCHUYYIVSA-N 2 1 350.506 3.549 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000375892647 940025352 /nfs/dbraw/zinc/02/53/52/940025352.db2.gz ZDWSAAGWIFOAJY-URVUXULASA-N 2 1 351.494 3.590 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)nc1 ZINC000647480753 940063102 /nfs/dbraw/zinc/06/31/02/940063102.db2.gz YVXPIKIEAOAYBC-SIKLNZKXSA-N 2 1 351.494 3.625 20 0 FHADMP COc1ccc(C[N@@H+](CCCn2ccnc2C)CC2CCC2)c(OC)c1 ZINC000548931252 940077426 /nfs/dbraw/zinc/07/74/26/940077426.db2.gz RXAUDRODYQWYDK-UHFFFAOYSA-N 2 1 357.498 3.901 20 0 FHADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)CC2CCC2)c(OC)c1 ZINC000548931252 940077427 /nfs/dbraw/zinc/07/74/27/940077427.db2.gz RXAUDRODYQWYDK-UHFFFAOYSA-N 2 1 357.498 3.901 20 0 FHADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)CC2CCC2)c(OC)c1 ZINC000548931252 940077429 /nfs/dbraw/zinc/07/74/29/940077429.db2.gz RXAUDRODYQWYDK-UHFFFAOYSA-N 2 1 357.498 3.901 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548932282 940087717 /nfs/dbraw/zinc/08/77/17/940087717.db2.gz YMZPHFKEKKOMGO-LJQANCHMSA-N 2 1 360.542 3.999 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548932282 940087718 /nfs/dbraw/zinc/08/77/18/940087718.db2.gz YMZPHFKEKKOMGO-LJQANCHMSA-N 2 1 360.542 3.999 20 0 FHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628280402 940150910 /nfs/dbraw/zinc/15/09/10/940150910.db2.gz HGLGYPDJYSACIH-UHFFFAOYSA-N 2 1 350.457 3.702 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628280402 940150912 /nfs/dbraw/zinc/15/09/12/940150912.db2.gz HGLGYPDJYSACIH-UHFFFAOYSA-N 2 1 350.457 3.702 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628280402 940150913 /nfs/dbraw/zinc/15/09/13/940150913.db2.gz HGLGYPDJYSACIH-UHFFFAOYSA-N 2 1 350.457 3.702 20 0 FHADMP C[C@@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799799 940183447 /nfs/dbraw/zinc/18/34/47/940183447.db2.gz RCGOTVVQQSCIJM-LEUOFYLZSA-N 2 1 356.432 3.739 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525197 945302079 /nfs/dbraw/zinc/30/20/79/945302079.db2.gz KAHWDBQJICOJPG-PMOQBDJRSA-N 2 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525197 945302088 /nfs/dbraw/zinc/30/20/88/945302088.db2.gz KAHWDBQJICOJPG-PMOQBDJRSA-N 3 1 353.554 3.504 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525197 945302098 /nfs/dbraw/zinc/30/20/98/945302098.db2.gz KAHWDBQJICOJPG-PMOQBDJRSA-N 3 1 353.554 3.504 20 0 FHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452146 940193456 /nfs/dbraw/zinc/19/34/56/940193456.db2.gz CGCDXTCCANQXRB-INIZCTEOSA-N 2 1 372.431 3.628 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452146 940193458 /nfs/dbraw/zinc/19/34/58/940193458.db2.gz CGCDXTCCANQXRB-INIZCTEOSA-N 2 1 372.431 3.628 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452146 940193459 /nfs/dbraw/zinc/19/34/59/940193459.db2.gz CGCDXTCCANQXRB-INIZCTEOSA-N 2 1 372.431 3.628 20 0 FHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000472452146 940193462 /nfs/dbraw/zinc/19/34/62/940193462.db2.gz CGCDXTCCANQXRB-INIZCTEOSA-N 2 1 372.431 3.628 20 0 FHADMP COc1cccc(C[NH+]2CCC3(C[NH+](Cc4scnc4C)C3)CC2)c1 ZINC001279132930 945307433 /nfs/dbraw/zinc/30/74/33/945307433.db2.gz LUXFGRBPAFUHJQ-UHFFFAOYSA-N 2 1 357.523 3.558 20 0 FHADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C)n1 ZINC000685850904 940467168 /nfs/dbraw/zinc/46/71/68/940467168.db2.gz MAAMEDKUERKJIW-NHCUHLMSSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C)n1 ZINC000685850904 940467170 /nfs/dbraw/zinc/46/71/70/940467170.db2.gz MAAMEDKUERKJIW-NHCUHLMSSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)n1 ZINC000685850904 940467171 /nfs/dbraw/zinc/46/71/71/940467171.db2.gz MAAMEDKUERKJIW-NHCUHLMSSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)n1 ZINC000685850904 940467174 /nfs/dbraw/zinc/46/71/74/940467174.db2.gz MAAMEDKUERKJIW-NHCUHLMSSA-N 2 1 365.521 3.661 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760562 940478652 /nfs/dbraw/zinc/47/86/52/940478652.db2.gz XLUXEFMJMQLKTA-KNQAVFIVSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431760562 940478653 /nfs/dbraw/zinc/47/86/53/940478653.db2.gz XLUXEFMJMQLKTA-KNQAVFIVSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431760562 940478655 /nfs/dbraw/zinc/47/86/55/940478655.db2.gz XLUXEFMJMQLKTA-KNQAVFIVSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431764033 940481765 /nfs/dbraw/zinc/48/17/65/940481765.db2.gz YKIPERPOPXEWJW-UGKGYDQZSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431764033 940481767 /nfs/dbraw/zinc/48/17/67/940481767.db2.gz YKIPERPOPXEWJW-UGKGYDQZSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431764033 940481768 /nfs/dbraw/zinc/48/17/68/940481768.db2.gz YKIPERPOPXEWJW-UGKGYDQZSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082911 940486497 /nfs/dbraw/zinc/48/64/97/940486497.db2.gz FYVPQQPZKKLUDT-FUHWJXTLSA-N 2 1 359.539 3.698 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414104351 940508947 /nfs/dbraw/zinc/50/89/47/940508947.db2.gz FOYCMMIPQPVAMS-GHTZIAJQSA-N 2 1 368.521 3.811 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414108453 940510699 /nfs/dbraw/zinc/51/06/99/940510699.db2.gz LSEKQLSUEGDSEO-WFXMLNOXSA-N 2 1 353.510 3.521 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000414172452 940708436 /nfs/dbraw/zinc/70/84/36/940708436.db2.gz FERHPQIPOJCDBH-ZIAGYGMSSA-N 2 1 355.320 3.840 20 0 FHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000414178047 940717449 /nfs/dbraw/zinc/71/74/49/940717449.db2.gz KBILSPPXQHBPSO-ROUUACIJSA-N 2 1 360.546 3.943 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1 ZINC000892573665 940813453 /nfs/dbraw/zinc/81/34/53/940813453.db2.gz VBKHPSDQOVJVFW-QGZVFWFLSA-N 2 1 352.526 3.962 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000414296432 940912620 /nfs/dbraw/zinc/91/26/20/940912620.db2.gz RKNYGXKVHCECRL-KXBFYZLASA-N 2 1 353.441 3.747 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Br)cc3cccnc31)C2 ZINC000660660575 945363220 /nfs/dbraw/zinc/36/32/20/945363220.db2.gz XBNNGIBPTHAIDW-LJQANCHMSA-N 2 1 374.326 3.915 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000414320203 940964378 /nfs/dbraw/zinc/96/43/78/940964378.db2.gz BMCWLDFEOMIMCV-UHFFFAOYSA-N 2 1 356.539 3.948 20 0 FHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661170 945366175 /nfs/dbraw/zinc/36/61/75/945366175.db2.gz ZAAMGLQIONPFFN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661170 945366187 /nfs/dbraw/zinc/36/61/87/945366187.db2.gz ZAAMGLQIONPFFN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661170 945366200 /nfs/dbraw/zinc/36/62/00/945366200.db2.gz ZAAMGLQIONPFFN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661170 945366214 /nfs/dbraw/zinc/36/62/14/945366214.db2.gz ZAAMGLQIONPFFN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)cc1 ZINC000186483973 941008940 /nfs/dbraw/zinc/00/89/40/941008940.db2.gz ICAZAHGEVJJNRX-MRXNPFEDSA-N 2 1 359.477 3.961 20 0 FHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000647543357 941065405 /nfs/dbraw/zinc/06/54/05/941065405.db2.gz LSPPMLIJFOXLOC-MOPGFXCFSA-N 2 1 352.526 3.607 20 0 FHADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543826 941065783 /nfs/dbraw/zinc/06/57/83/941065783.db2.gz SOKAPLKXPHCHDV-NHCUHLMSSA-N 2 1 365.521 3.872 20 0 FHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000685928197 941085410 /nfs/dbraw/zinc/08/54/10/941085410.db2.gz ARBXWNCNMDLVCH-RTBURBONSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000685928197 941085411 /nfs/dbraw/zinc/08/54/11/941085411.db2.gz ARBXWNCNMDLVCH-RTBURBONSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000685928197 941085412 /nfs/dbraw/zinc/08/54/12/941085412.db2.gz ARBXWNCNMDLVCH-RTBURBONSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000518033610 941457106 /nfs/dbraw/zinc/45/71/06/941457106.db2.gz DFLKXHXFTAFQHV-GJZGRUSLSA-N 2 1 354.336 3.863 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000518033610 941457107 /nfs/dbraw/zinc/45/71/07/941457107.db2.gz DFLKXHXFTAFQHV-GJZGRUSLSA-N 2 1 354.336 3.863 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415043074 941562129 /nfs/dbraw/zinc/56/21/29/941562129.db2.gz ABYACFOGWHKBTN-QTGUNEKASA-N 2 1 351.538 3.892 20 0 FHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415037213 941564024 /nfs/dbraw/zinc/56/40/24/941564024.db2.gz MOABKOJHUYBOBQ-KXTWHKPSSA-N 2 1 364.880 3.500 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059429 941570943 /nfs/dbraw/zinc/57/09/43/941570943.db2.gz WWLOURZPWBLDRR-UNMCSNQZSA-N 2 1 351.494 3.625 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059426 941571011 /nfs/dbraw/zinc/57/10/11/941571011.db2.gz WWLOURZPWBLDRR-RBBKRZOGSA-N 2 1 351.494 3.625 20 0 FHADMP FC(F)(F)Oc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000415072236 941588776 /nfs/dbraw/zinc/58/87/76/941588776.db2.gz VXCIBWHZTROVGE-UHFFFAOYSA-N 2 1 367.209 3.579 20 0 FHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1F ZINC000377253386 941598196 /nfs/dbraw/zinc/59/81/96/941598196.db2.gz CILHJUDKGLQIJF-WVBUVRCRSA-N 2 1 371.500 3.691 20 0 FHADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1F ZINC000377253386 941598200 /nfs/dbraw/zinc/59/82/00/941598200.db2.gz CILHJUDKGLQIJF-WVBUVRCRSA-N 2 1 371.500 3.691 20 0 FHADMP CCCOc1ccccc1Oc1ncccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415093519 941602096 /nfs/dbraw/zinc/60/20/96/941602096.db2.gz VMLSIGOJPULNGV-QGZVFWFLSA-N 2 1 355.482 3.752 20 0 FHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000415109728 941606672 /nfs/dbraw/zinc/60/66/72/941606672.db2.gz OEVRUODENGEIMR-IAGOWNOFSA-N 2 1 360.395 3.563 20 0 FHADMP CCOc1ccc(Br)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734632 941725349 /nfs/dbraw/zinc/72/53/49/941725349.db2.gz AFJGNJGENQTTIO-UHFFFAOYSA-N 2 1 367.331 3.813 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000509916211 941804484 /nfs/dbraw/zinc/80/44/84/941804484.db2.gz WGHAFIQIXDPPQO-INIZCTEOSA-N 2 1 362.468 3.670 20 0 FHADMP C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C[NH+](C)C ZINC000314311251 941819883 /nfs/dbraw/zinc/81/98/83/941819883.db2.gz MIRHIHLKKMHLSE-SNVBAGLBSA-N 2 1 369.225 3.635 20 0 FHADMP C[C@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377628020 941854711 /nfs/dbraw/zinc/85/47/11/941854711.db2.gz QBBRQGXGVKENQW-IAGOWNOFSA-N 2 1 369.475 3.726 20 0 FHADMP CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000377633558 941858021 /nfs/dbraw/zinc/85/80/21/941858021.db2.gz VGFJFVTZNIWTST-UHFFFAOYSA-N 2 1 363.509 3.566 20 0 FHADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000377645315 941862643 /nfs/dbraw/zinc/86/26/43/941862643.db2.gz HZMAFESABAINFN-NSCUHMNNSA-N 2 1 350.453 3.553 20 0 FHADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000377645315 941862646 /nfs/dbraw/zinc/86/26/46/941862646.db2.gz HZMAFESABAINFN-NSCUHMNNSA-N 2 1 350.453 3.553 20 0 FHADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH+]3CCC(OC)CC3)CCCC1)CC2 ZINC000513367145 941871677 /nfs/dbraw/zinc/87/16/77/941871677.db2.gz SSVPOXRMLBPOFT-HXUWFJFHSA-N 2 1 372.553 3.566 20 0 FHADMP c1ccc(Oc2ccc3[nH+]ccc(N4CC[N@H+]5CCOC[C@H]5C4)c3c2)cc1 ZINC000433769236 941875269 /nfs/dbraw/zinc/87/52/69/941875269.db2.gz RPBSUYWOBGIFDK-QGZVFWFLSA-N 2 1 361.445 3.548 20 0 FHADMP CC(C)[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377708369 941916775 /nfs/dbraw/zinc/91/67/75/941916775.db2.gz XIKZSVSBLDZHDF-KORDQABASA-N 2 1 355.570 3.669 20 0 FHADMP CC(C)c1nn(C)c(Cl)c1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377711439 941922158 /nfs/dbraw/zinc/92/21/58/941922158.db2.gz ZSHYDIPMEVOJOG-UHFFFAOYSA-N 2 1 361.921 3.693 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(-c4ccccc4C)c3)C2)CC1 ZINC000093133043 941941225 /nfs/dbraw/zinc/94/12/25/941941225.db2.gz MSDBBWLSYSKIHP-QHCPKHFHSA-N 2 1 363.549 3.874 20 0 FHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000513517666 941978165 /nfs/dbraw/zinc/97/81/65/941978165.db2.gz JIFKBWUGDJZNOR-IDZYALCFSA-N 2 1 353.510 3.942 20 0 FHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([S@](C)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513512675 941983895 /nfs/dbraw/zinc/98/38/95/941983895.db2.gz PHWXXSDHRPVNGO-OFUUFJSKSA-N 2 1 370.562 3.814 20 0 FHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000513612991 942038794 /nfs/dbraw/zinc/03/87/94/942038794.db2.gz KYPLBNXRTQLVTA-KDURUIRLSA-N 2 1 368.521 3.908 20 0 FHADMP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000513655723 942058332 /nfs/dbraw/zinc/05/83/32/942058332.db2.gz NYLFQFGOXHCEIC-PCCBWWKXSA-N 2 1 368.525 3.591 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280280981 942149999 /nfs/dbraw/zinc/14/99/99/942149999.db2.gz SJJXADXCPUNZIL-UHFFFAOYSA-N 2 1 372.904 3.592 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280280981 942150004 /nfs/dbraw/zinc/15/00/04/942150004.db2.gz SJJXADXCPUNZIL-UHFFFAOYSA-N 2 1 372.904 3.592 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1)CC1CC1 ZINC000415931613 942157776 /nfs/dbraw/zinc/15/77/76/942157776.db2.gz MLQUWCVREWERIR-UHFFFAOYSA-N 2 1 372.557 3.772 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994302 942159507 /nfs/dbraw/zinc/15/95/07/942159507.db2.gz MPVXPSSHTRENKV-FCEUIQTBSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000501994302 942159514 /nfs/dbraw/zinc/15/95/14/942159514.db2.gz MPVXPSSHTRENKV-FCEUIQTBSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000501994302 942159516 /nfs/dbraw/zinc/15/95/16/942159516.db2.gz MPVXPSSHTRENKV-FCEUIQTBSA-N 2 1 371.569 3.668 20 0 FHADMP CCN(C(=O)Nc1cccc(C[NH2+]C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415939144 942169939 /nfs/dbraw/zinc/16/99/39/942169939.db2.gz ZZNVXCBISQPRHI-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000415967297 942206384 /nfs/dbraw/zinc/20/63/84/942206384.db2.gz BCVSUMIZRCBLFF-UTKZUKDTSA-N 2 1 366.509 3.581 20 0 FHADMP Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420903736 942246444 /nfs/dbraw/zinc/24/64/44/942246444.db2.gz OQZOLEFKOGPQOM-UHFFFAOYSA-N 2 1 367.537 3.774 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415999228 942249658 /nfs/dbraw/zinc/24/96/58/942249658.db2.gz VADKAPKKYSCVCU-KRWDZBQOSA-N 2 1 370.541 3.798 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ncsc2c1 ZINC000420923185 942256489 /nfs/dbraw/zinc/25/64/89/942256489.db2.gz PPMJJHHOWAKXOL-MRXNPFEDSA-N 2 1 367.518 3.979 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000420931712 942261002 /nfs/dbraw/zinc/26/10/02/942261002.db2.gz GVLJAHINBJLQEM-JTSKRJEESA-N 2 1 371.956 3.951 20 0 FHADMP Fc1ccc(C2(NCc3cccc(CN4CCOCC4)c3)CCC2)c(F)c1 ZINC000420937853 942264450 /nfs/dbraw/zinc/26/44/50/942264450.db2.gz LQABYWBROWPQNH-UHFFFAOYSA-N 2 1 372.459 3.966 20 0 FHADMP c1ccc(N[C@H]2CCC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000420942105 942265713 /nfs/dbraw/zinc/26/57/13/942265713.db2.gz URIZBQLVCAWKPH-QHCPKHFHSA-N 2 1 365.521 3.595 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000416019137 942267061 /nfs/dbraw/zinc/26/70/61/942267061.db2.gz WYEWHCPUBOWXPX-QFIPXVFZSA-N 2 1 366.509 3.582 20 0 FHADMP Cn1cc(Cl)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000420955526 942274991 /nfs/dbraw/zinc/27/49/91/942274991.db2.gz XTBOBPOVWJBDGE-UHFFFAOYSA-N 2 1 358.917 3.562 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](OC(C)C)c3ccccc3)CC2)CC1 ZINC000420980488 942280052 /nfs/dbraw/zinc/28/00/52/942280052.db2.gz LTDWSPHIIGYAFM-QHCPKHFHSA-N 2 1 373.585 3.645 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)nc4ccccc34)CC2)CC1 ZINC000420986391 942282690 /nfs/dbraw/zinc/28/26/90/942282690.db2.gz YGTORIAGXMICEW-UHFFFAOYSA-N 2 1 366.553 3.535 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000420975419 942287139 /nfs/dbraw/zinc/28/71/39/942287139.db2.gz FXYZZLZRAAITAP-QFIPXVFZSA-N 2 1 359.533 3.695 20 0 FHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292507 942337186 /nfs/dbraw/zinc/33/71/86/942337186.db2.gz XEMFHKGMQBKXNO-PXNSSMCTSA-N 2 1 360.542 3.797 20 0 FHADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292507 942337188 /nfs/dbraw/zinc/33/71/88/942337188.db2.gz XEMFHKGMQBKXNO-PXNSSMCTSA-N 2 1 360.542 3.797 20 0 FHADMP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713229 942446772 /nfs/dbraw/zinc/44/67/72/942446772.db2.gz MMNOSDOEEFSGIU-GBESFXJTSA-N 2 1 370.459 3.846 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416192201 942458083 /nfs/dbraw/zinc/45/80/83/942458083.db2.gz ASQDFESRCYGDGP-QGZVFWFLSA-N 2 1 372.538 3.541 20 0 FHADMP CC(C)[N@H+]1CCc2nc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416192201 942458091 /nfs/dbraw/zinc/45/80/91/942458091.db2.gz ASQDFESRCYGDGP-QGZVFWFLSA-N 2 1 372.538 3.541 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@]3(CO)C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000421342710 942495717 /nfs/dbraw/zinc/49/57/17/942495717.db2.gz OOAFYTHBTNPPMH-FOIQADDNSA-N 2 1 365.587 3.577 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@]3(CO)C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000421342710 942495721 /nfs/dbraw/zinc/49/57/21/942495721.db2.gz OOAFYTHBTNPPMH-FOIQADDNSA-N 2 1 365.587 3.577 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)C1CC1 ZINC000505366958 942505135 /nfs/dbraw/zinc/50/51/35/942505135.db2.gz QUDJYOISDMVOIA-UHFFFAOYSA-N 2 1 359.558 3.862 20 0 FHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000513717725 942579358 /nfs/dbraw/zinc/57/93/58/942579358.db2.gz RHPBTRHHGLTJNT-QGZVFWFLSA-N 2 1 366.496 3.911 20 0 FHADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909465 942601776 /nfs/dbraw/zinc/60/17/76/942601776.db2.gz NKSKROPJKSUSMR-WOJBJXKFSA-N 2 1 359.558 3.524 20 0 FHADMP CCc1csc([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323066 942608369 /nfs/dbraw/zinc/60/83/69/942608369.db2.gz TVMHGLYSKMLBLT-IAGOWNOFSA-N 2 1 359.539 3.636 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420301806 942611163 /nfs/dbraw/zinc/61/11/63/942611163.db2.gz AZPUBNFRYBIPJA-NQIIRXRSSA-N 2 1 351.494 3.736 20 0 FHADMP CCc1cccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420310067 942615179 /nfs/dbraw/zinc/61/51/79/942615179.db2.gz LZNOLLSRPKGDSV-NRFANRHFSA-N 2 1 353.510 3.667 20 0 FHADMP CCc1cccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420310067 942615191 /nfs/dbraw/zinc/61/51/91/942615191.db2.gz LZNOLLSRPKGDSV-NRFANRHFSA-N 2 1 353.510 3.667 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)on1 ZINC000420315352 942617818 /nfs/dbraw/zinc/61/78/18/942617818.db2.gz LXGYNSOSRIOGIV-NRFANRHFSA-N 2 1 351.450 3.674 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)on1 ZINC000420315352 942617823 /nfs/dbraw/zinc/61/78/23/942617823.db2.gz LXGYNSOSRIOGIV-NRFANRHFSA-N 2 1 351.450 3.674 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000420316451 942619222 /nfs/dbraw/zinc/61/92/22/942619222.db2.gz YECXVXLDWXIXOG-SNRMKQJTSA-N 2 1 363.461 3.673 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420316353 942619431 /nfs/dbraw/zinc/61/94/31/942619431.db2.gz YBGWQXWPAVLLEO-QESAQDPVSA-N 2 1 363.505 3.734 20 0 FHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420316353 942619435 /nfs/dbraw/zinc/61/94/35/942619435.db2.gz YBGWQXWPAVLLEO-QESAQDPVSA-N 2 1 363.505 3.734 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000420318973 942620102 /nfs/dbraw/zinc/62/01/02/942620102.db2.gz QWADQXKGYURVIU-DLBZAZTESA-N 2 1 363.461 3.545 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000420318973 942620107 /nfs/dbraw/zinc/62/01/07/942620107.db2.gz QWADQXKGYURVIU-DLBZAZTESA-N 2 1 363.461 3.545 20 0 FHADMP Fc1cccc(F)c1-c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420319496 942620121 /nfs/dbraw/zinc/62/01/21/942620121.db2.gz AEYGZMPYGPSBOD-ZIAGYGMSSA-N 2 1 363.477 3.910 20 0 FHADMP CC(C)c1ccc([C@@H](NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C(C)C)cc1 ZINC000420358752 942636943 /nfs/dbraw/zinc/63/69/43/942636943.db2.gz JDBGCHIRMOAHTA-CTNGQTDRSA-N 2 1 359.558 3.601 20 0 FHADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420361203 942638415 /nfs/dbraw/zinc/63/84/15/942638415.db2.gz HXNWOYMBBZUIOS-JLHGSKIFSA-N 2 1 367.493 3.784 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420371984 942644434 /nfs/dbraw/zinc/64/44/34/942644434.db2.gz DXUQHWQHFGEURP-ZIFCJYIRSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420371984 942644437 /nfs/dbraw/zinc/64/44/37/942644437.db2.gz DXUQHWQHFGEURP-ZIFCJYIRSA-N 2 1 351.494 3.597 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383426 942647809 /nfs/dbraw/zinc/64/78/09/942647809.db2.gz ZRKYQUYPEIVGPA-WBVHZDCISA-N 2 1 356.432 3.792 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000501745662 942648023 /nfs/dbraw/zinc/64/80/23/942648023.db2.gz WUAGBJDSGBFDLZ-FQEVSTJZSA-N 2 1 373.541 3.754 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420382780 942648061 /nfs/dbraw/zinc/64/80/61/942648061.db2.gz DECRIBKLIFRTCL-YOEHRIQHSA-N 2 1 358.507 3.652 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420382780 942648067 /nfs/dbraw/zinc/64/80/67/942648067.db2.gz DECRIBKLIFRTCL-YOEHRIQHSA-N 2 1 358.507 3.652 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420386516 942649406 /nfs/dbraw/zinc/64/94/06/942649406.db2.gz GABGFXHRWMQVEH-IFMALSPDSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420386516 942649411 /nfs/dbraw/zinc/64/94/11/942649411.db2.gz GABGFXHRWMQVEH-IFMALSPDSA-N 2 1 363.505 3.903 20 0 FHADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000378398786 942716819 /nfs/dbraw/zinc/71/68/19/942716819.db2.gz DTFRYGQCGCWJJW-AZUAARDMSA-N 2 1 352.469 3.773 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750445 /nfs/dbraw/zinc/75/04/45/942750445.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750447 /nfs/dbraw/zinc/75/04/47/942750447.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 3 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750451 /nfs/dbraw/zinc/75/04/51/942750451.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 3 1 355.570 3.609 20 0 FHADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750456 /nfs/dbraw/zinc/75/04/56/942750456.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750459 /nfs/dbraw/zinc/75/04/59/942750459.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750463 /nfs/dbraw/zinc/75/04/63/942750463.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 2 1 355.570 3.609 20 0 FHADMP CC[NH+]1CC[C@H](CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750466 /nfs/dbraw/zinc/75/04/66/942750466.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 2 1 355.570 3.609 20 0 FHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000514118219 942767650 /nfs/dbraw/zinc/76/76/50/942767650.db2.gz GLBQOELHAMPNNX-UHFFFAOYSA-N 2 1 351.494 3.578 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000514136804 942774874 /nfs/dbraw/zinc/77/48/74/942774874.db2.gz BBPTUJVCUAWINN-PZJWPPBQSA-N 2 1 374.573 3.552 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1)C1CC1 ZINC000502848383 942794369 /nfs/dbraw/zinc/79/43/69/942794369.db2.gz UECVZPHNDLTLCF-UHFFFAOYSA-N 2 1 357.542 3.665 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421836260 942839573 /nfs/dbraw/zinc/83/95/73/942839573.db2.gz GQKJBXSBIJFILW-MAUKXSAKSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421836260 942839576 /nfs/dbraw/zinc/83/95/76/942839576.db2.gz GQKJBXSBIJFILW-MAUKXSAKSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1Cl ZINC000421818395 942845233 /nfs/dbraw/zinc/84/52/33/942845233.db2.gz AQLKLLJVSRAAJE-UTKZUKDTSA-N 2 1 372.944 3.764 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccncc1Cl ZINC000421840615 942855330 /nfs/dbraw/zinc/85/53/30/942855330.db2.gz ZZZOYMUAEFLGDQ-HNNXBMFYSA-N 2 1 359.901 3.543 20 0 FHADMP OC1(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421848228 942858771 /nfs/dbraw/zinc/85/87/71/942858771.db2.gz AEPQQUKEXMVYHA-BHIFYINESA-N 2 1 356.554 3.962 20 0 FHADMP CCOc1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434743856 942936129 /nfs/dbraw/zinc/93/61/29/942936129.db2.gz GBEAOXRMFSHVQD-UHFFFAOYSA-N 2 1 369.509 3.877 20 0 FHADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000414568163 942974500 /nfs/dbraw/zinc/97/45/00/942974500.db2.gz MJQNTQBKYDZSRI-CYBMUJFWSA-N 2 1 360.502 3.556 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856992 943030557 /nfs/dbraw/zinc/03/05/57/943030557.db2.gz ZYWOTRSGDJTPCG-CXAGYDPISA-N 2 1 371.447 3.920 20 0 FHADMP CCC[N@H+](Cc1cc(C2CC2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073532 943053183 /nfs/dbraw/zinc/05/31/83/943053183.db2.gz HZTFRWWUYWUREH-UHFFFAOYSA-N 2 1 369.513 3.840 20 0 FHADMP CCC[N@@H+](Cc1cc(C2CC2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073532 943053193 /nfs/dbraw/zinc/05/31/93/943053193.db2.gz HZTFRWWUYWUREH-UHFFFAOYSA-N 2 1 369.513 3.840 20 0 FHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000271861045 943062370 /nfs/dbraw/zinc/06/23/70/943062370.db2.gz KMQCDBFXDXUDCC-LPHOPBHVSA-N 2 1 362.489 3.686 20 0 FHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886402 943065699 /nfs/dbraw/zinc/06/56/99/943065699.db2.gz QUFSUOFBAYTKIC-LLVKDONJSA-N 2 1 362.367 3.802 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651317 943097707 /nfs/dbraw/zinc/09/77/07/943097707.db2.gz BXRHDKDHZJBQLT-IAGOWNOFSA-N 2 1 353.514 3.619 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662870 943148219 /nfs/dbraw/zinc/14/82/19/943148219.db2.gz ZXLGCBPNSJNSRO-IBGZPJMESA-N 2 1 354.542 3.660 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662870 943148224 /nfs/dbraw/zinc/14/82/24/943148224.db2.gz ZXLGCBPNSJNSRO-IBGZPJMESA-N 2 1 354.542 3.660 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663852 943150977 /nfs/dbraw/zinc/15/09/77/943150977.db2.gz RYBAPJOXWVAUEB-YJBOKZPZSA-N 2 1 358.457 3.582 20 0 FHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414667242 943170429 /nfs/dbraw/zinc/17/04/29/943170429.db2.gz XYRRBQRPAAHCBX-NRFANRHFSA-N 2 1 363.509 3.740 20 0 FHADMP CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744175 943216008 /nfs/dbraw/zinc/21/60/08/943216008.db2.gz SURFTKSEHLSUGK-IRFCIJBXSA-N 2 1 371.569 3.666 20 0 FHADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744175 943216013 /nfs/dbraw/zinc/21/60/13/943216013.db2.gz SURFTKSEHLSUGK-IRFCIJBXSA-N 2 1 371.569 3.666 20 0 FHADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744175 943216021 /nfs/dbraw/zinc/21/60/21/943216021.db2.gz SURFTKSEHLSUGK-IRFCIJBXSA-N 2 1 371.569 3.666 20 0 FHADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422642691 943218880 /nfs/dbraw/zinc/21/88/80/943218880.db2.gz ZXIOHPFYMKFHOA-ZIFCJYIRSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422642691 943218884 /nfs/dbraw/zinc/21/88/84/943218884.db2.gz ZXIOHPFYMKFHOA-ZIFCJYIRSA-N 2 1 351.494 3.597 20 0 FHADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000422706847 943241331 /nfs/dbraw/zinc/24/13/31/943241331.db2.gz GEKBCOSVEMBFCM-ZDFPQIBNSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706304 943241533 /nfs/dbraw/zinc/24/15/33/943241533.db2.gz DVCNVFGHVMSHEO-JTSKRJEESA-N 2 1 365.521 3.863 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000503560256 943261435 /nfs/dbraw/zinc/26/14/35/943261435.db2.gz SQJYAQUFLKSAQF-FYWRMAATSA-N 2 1 356.432 3.545 20 0 FHADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755472 943273847 /nfs/dbraw/zinc/27/38/47/943273847.db2.gz HYQFOJZAWSAELO-AFXVXQJMSA-N 2 1 371.569 3.733 20 0 FHADMP C[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295739 943289809 /nfs/dbraw/zinc/28/98/09/943289809.db2.gz JEDVVYFZFHOMGW-KRWDZBQOSA-N 2 1 360.395 3.685 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828859 943297150 /nfs/dbraw/zinc/29/71/50/943297150.db2.gz BNJRPZQZGLDKLH-AYWYSENESA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828859 943297153 /nfs/dbraw/zinc/29/71/53/943297153.db2.gz BNJRPZQZGLDKLH-AYWYSENESA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828859 943297157 /nfs/dbraw/zinc/29/71/57/943297157.db2.gz BNJRPZQZGLDKLH-AYWYSENESA-N 2 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828859 943297161 /nfs/dbraw/zinc/29/71/61/943297161.db2.gz BNJRPZQZGLDKLH-AYWYSENESA-N 2 1 361.599 3.861 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000422873573 943323005 /nfs/dbraw/zinc/32/30/05/943323005.db2.gz LQGCUZDFXFZALI-BZUAXINKSA-N 2 1 354.441 3.697 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422922729 943332545 /nfs/dbraw/zinc/33/25/45/943332545.db2.gz UFLCATWEQYJEDE-ZUZCIYMTSA-N 2 1 352.265 3.940 20 0 FHADMP Cc1csc(C2([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)n1 ZINC000422940386 943339270 /nfs/dbraw/zinc/33/92/70/943339270.db2.gz NCZAQGCZKYKLHW-LPHOPBHVSA-N 2 1 355.507 3.676 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422953991 943348084 /nfs/dbraw/zinc/34/80/84/943348084.db2.gz GUJKKSKUFFYPEM-WMLDXEAASA-N 2 1 352.400 3.632 20 0 FHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503745495 943352478 /nfs/dbraw/zinc/35/24/78/943352478.db2.gz ZWZSMVMZDYSXRX-UYAOXDASSA-N 2 1 374.573 3.680 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422969986 943353800 /nfs/dbraw/zinc/35/38/00/943353800.db2.gz VOAPKTXRZCYBKC-SFHVURJKSA-N 2 1 366.553 3.931 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(Br)cc1Oc1ccccc1)C1C[NH2+]C1 ZINC000422979334 943356599 /nfs/dbraw/zinc/35/65/99/943356599.db2.gz JIRJRFRERJGIIW-CYBMUJFWSA-N 2 1 361.283 3.939 20 0 FHADMP C[C@H]([NH2+]CCc1cc(Cl)ccc1Br)c1c[nH+]ccc1N ZINC000422996429 943367600 /nfs/dbraw/zinc/36/76/00/943367600.db2.gz LZYXNLNPTKYWNE-JTQLQIEISA-N 2 1 354.679 3.803 20 0 FHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381309 943369538 /nfs/dbraw/zinc/36/95/38/943369538.db2.gz WANPPBVHMPHMRU-WMZOPIPTSA-N 2 1 366.534 3.829 20 0 FHADMP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423034136 943372639 /nfs/dbraw/zinc/37/26/39/943372639.db2.gz PLTPSGYKVYTRBF-HBMCJLEFSA-N 2 1 363.505 3.541 20 0 FHADMP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423034146 943372652 /nfs/dbraw/zinc/37/26/52/943372652.db2.gz PLTPSGYKVYTRBF-PWRODBHTSA-N 2 1 363.505 3.541 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435386180 943373617 /nfs/dbraw/zinc/37/36/17/943373617.db2.gz VSTPETCJJDVVCS-DBVUQKKJSA-N 2 1 357.523 3.590 20 0 FHADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435386183 943373746 /nfs/dbraw/zinc/37/37/46/943373746.db2.gz VSTPETCJJDVVCS-VDGAXYAQSA-N 2 1 357.523 3.590 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000414714542 943377711 /nfs/dbraw/zinc/37/77/11/943377711.db2.gz QDWOAHBMTXVWJW-UHFFFAOYSA-N 2 1 358.530 3.654 20 0 FHADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1F ZINC000423049754 943383665 /nfs/dbraw/zinc/38/36/65/943383665.db2.gz KRXWAIQWOOYVRU-XYPHTWIQSA-N 2 1 354.897 3.503 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000414716784 943389605 /nfs/dbraw/zinc/38/96/05/943389605.db2.gz SXTABYASIWUKPL-LJQANCHMSA-N 2 1 358.530 3.796 20 0 FHADMP COCc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(-c2ccccc2)s1 ZINC000423099163 943394126 /nfs/dbraw/zinc/39/41/26/943394126.db2.gz LRAWZZGMDUHTEL-KZNAEPCWSA-N 2 1 371.550 3.967 20 0 FHADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423101870 943394678 /nfs/dbraw/zinc/39/46/78/943394678.db2.gz DJWUDXVTZDRFED-WCIQWLHISA-N 2 1 350.934 3.826 20 0 FHADMP CCOC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000435432187 943395540 /nfs/dbraw/zinc/39/55/40/943395540.db2.gz MBURUCRBVISADG-SFHVURJKSA-N 2 1 374.506 3.662 20 0 FHADMP CCOC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000435432187 943395547 /nfs/dbraw/zinc/39/55/47/943395547.db2.gz MBURUCRBVISADG-SFHVURJKSA-N 2 1 374.506 3.662 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423125130 943398729 /nfs/dbraw/zinc/39/87/29/943398729.db2.gz HTEWEHRAABTVBY-FCEUIQTBSA-N 2 1 354.469 3.739 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423127868 943399409 /nfs/dbraw/zinc/39/94/09/943399409.db2.gz PTVBVMBLTHAYSK-VIFPVBQESA-N 2 1 359.342 3.997 20 0 FHADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104753 943401996 /nfs/dbraw/zinc/40/19/96/943401996.db2.gz MQAVCZREWWABFC-DNVJHFABSA-N 2 1 371.569 3.560 20 0 FHADMP C[C@@H](Cc1ccccc1)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421145 943402166 /nfs/dbraw/zinc/40/21/66/943402166.db2.gz IAAANJPFEUKBJX-HKUYNNGSSA-N 2 1 355.551 3.966 20 0 FHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc2c(s1)CCC2 ZINC000423158843 943421241 /nfs/dbraw/zinc/42/12/41/943421241.db2.gz DOPPMSDJKCGQOJ-OWZDWXTDSA-N 2 1 355.507 3.538 20 0 FHADMP Brc1cccc2c1CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190881 943437111 /nfs/dbraw/zinc/43/71/11/943437111.db2.gz RXMJSMZPQWXQKL-GOSISDBHSA-N 2 1 360.299 3.601 20 0 FHADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423261350 943462556 /nfs/dbraw/zinc/46/25/56/943462556.db2.gz JTZVHUDIWHOONM-NXHRZFHOSA-N 2 1 352.494 3.798 20 0 FHADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1ccc(F)cc1 ZINC000423292651 943466120 /nfs/dbraw/zinc/46/61/20/943466120.db2.gz NTEQMEGGFBQELW-KBPBESRZSA-N 2 1 353.445 3.585 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1 ZINC000423317319 943474013 /nfs/dbraw/zinc/47/40/13/943474013.db2.gz ARHNZLUEHVOREN-JVPBZIDWSA-N 2 1 352.469 3.944 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000423317902 943474539 /nfs/dbraw/zinc/47/45/39/943474539.db2.gz BEYIELKITSWABT-LMSBXDPUSA-N 2 1 356.432 3.851 20 0 FHADMP C[C@H](CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000515052898 943476468 /nfs/dbraw/zinc/47/64/68/943476468.db2.gz OBGBDMDVMCXVIU-GIVPXCGWSA-N 2 1 354.542 3.947 20 0 FHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423300508 943476601 /nfs/dbraw/zinc/47/66/01/943476601.db2.gz FAJPQXJRVQLHRU-SNVBAGLBSA-N 2 1 366.328 3.751 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423335691 943483509 /nfs/dbraw/zinc/48/35/09/943483509.db2.gz UCVQERQJLOIBPJ-ZWNOBZJWSA-N 2 1 366.328 3.887 20 0 FHADMP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414736212 943485498 /nfs/dbraw/zinc/48/54/98/943485498.db2.gz MUHSBEHYAJCHTJ-QWHCGFSZSA-N 2 1 358.313 3.642 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000164035494 943489268 /nfs/dbraw/zinc/48/92/68/943489268.db2.gz GMYMJOPFONUKQV-ZWOKBUDYSA-N 2 1 369.509 3.803 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000164035494 943489272 /nfs/dbraw/zinc/48/92/72/943489272.db2.gz GMYMJOPFONUKQV-ZWOKBUDYSA-N 2 1 369.509 3.803 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(Br)c1 ZINC000423396670 943500691 /nfs/dbraw/zinc/50/06/91/943500691.db2.gz SHMCMHDTVQRZPF-GFCCVEGCSA-N 2 1 361.283 3.912 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423404115 943508077 /nfs/dbraw/zinc/50/80/77/943508077.db2.gz IMMMBNABEVJRIB-OARUMGJZSA-N 2 1 363.505 3.632 20 0 FHADMP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C(C)C)c(Br)c1 ZINC000423407900 943509103 /nfs/dbraw/zinc/50/91/03/943509103.db2.gz WMOUGRWKVTXMML-JCURWCKSSA-N 2 1 355.320 3.742 20 0 FHADMP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423504136 943530914 /nfs/dbraw/zinc/53/09/14/943530914.db2.gz GKQHXKNGWGJCCC-HTWSVDAQSA-N 2 1 368.352 3.787 20 0 FHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423505864 943531685 /nfs/dbraw/zinc/53/16/85/943531685.db2.gz GSTDHARWSGQPSI-BLLLJJGKSA-N 2 1 365.930 3.801 20 0 FHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423505671 943531724 /nfs/dbraw/zinc/53/17/24/943531724.db2.gz ORLDERHMNZHBJA-ZAAXVRCTSA-N 2 1 364.505 3.942 20 0 FHADMP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@H]2C[NH2+]CCCO2)cs1 ZINC000423489304 943535166 /nfs/dbraw/zinc/53/51/66/943535166.db2.gz FWDHAVGMZYARQS-IEBWSBKVSA-N 2 1 364.942 3.962 20 0 FHADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423494926 943537100 /nfs/dbraw/zinc/53/71/00/943537100.db2.gz STKVJZGXXVQNMD-RDJZCZTQSA-N 2 1 350.915 3.653 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518045 943544034 /nfs/dbraw/zinc/54/40/34/943544034.db2.gz ZCSNVHZIENLEFL-KSSFIOAISA-N 2 1 358.482 3.625 20 0 FHADMP COc1ccc2oc([C@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)c(C)c2c1 ZINC000423519576 943544159 /nfs/dbraw/zinc/54/41/59/943544159.db2.gz QBYPQMXRTGAGSH-AOCRQIFASA-N 2 1 371.525 3.617 20 0 FHADMP CCOc1cccc2cc([C@@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc21 ZINC000423519691 943544167 /nfs/dbraw/zinc/54/41/67/943544167.db2.gz QDWYUKFGMXGPJG-IPJUCJBFSA-N 2 1 371.525 3.699 20 0 FHADMP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2ccccc2o1 ZINC000423525235 943547388 /nfs/dbraw/zinc/54/73/88/943547388.db2.gz XYZNPRDQWGGMRY-OBFZPWGMSA-N 2 1 355.526 3.936 20 0 FHADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000423541728 943552789 /nfs/dbraw/zinc/55/27/89/943552789.db2.gz LPTBWQAKZNRGGG-KRWDZBQOSA-N 2 1 352.482 3.591 20 0 FHADMP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771834 943702752 /nfs/dbraw/zinc/70/27/52/943702752.db2.gz SAPWCWUJFLKAEZ-BETUJISGSA-N 2 1 355.345 3.602 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773179 943714779 /nfs/dbraw/zinc/71/47/79/943714779.db2.gz DCNWJZJAWDBNAJ-NWDGAFQWSA-N 2 1 359.258 3.549 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773179 943714782 /nfs/dbraw/zinc/71/47/82/943714782.db2.gz DCNWJZJAWDBNAJ-NWDGAFQWSA-N 2 1 359.258 3.549 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773183 943714907 /nfs/dbraw/zinc/71/49/07/943714907.db2.gz DCNWJZJAWDBNAJ-VXGBXAGGSA-N 2 1 359.258 3.549 20 0 FHADMP Fc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773183 943714911 /nfs/dbraw/zinc/71/49/11/943714911.db2.gz DCNWJZJAWDBNAJ-VXGBXAGGSA-N 2 1 359.258 3.549 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000414903922 943779192 /nfs/dbraw/zinc/77/91/92/943779192.db2.gz IWXNPLTYBBFJJJ-AEFFLSMTSA-N 2 1 369.513 3.503 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000414903924 943784399 /nfs/dbraw/zinc/78/43/99/943784399.db2.gz IWXNPLTYBBFJJJ-SJLPKXTDSA-N 2 1 369.513 3.503 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424244607 943817561 /nfs/dbraw/zinc/81/75/61/943817561.db2.gz SUIGRHBPNZTCBF-GOSISDBHSA-N 2 1 357.542 3.523 20 0 FHADMP C[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000435869009 943823693 /nfs/dbraw/zinc/82/36/93/943823693.db2.gz APTTXEIOBGWMCU-SFHVURJKSA-N 2 1 363.299 3.746 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1cncc(OCc3ccccc3)c1)CC[NH2+]CC2 ZINC000424284679 943837007 /nfs/dbraw/zinc/83/70/07/943837007.db2.gz DNVUDXHXCUXLNQ-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785237 943876043 /nfs/dbraw/zinc/87/60/43/943876043.db2.gz SFBLQKDDQWATTI-IAGOWNOFSA-N 2 1 357.523 3.544 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424388566 943895894 /nfs/dbraw/zinc/89/58/94/943895894.db2.gz ZCQIRNYFILGVTJ-GOSISDBHSA-N 2 1 366.553 3.821 20 0 FHADMP CC[C@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000424428767 943923428 /nfs/dbraw/zinc/92/34/28/943923428.db2.gz UUJKBBYNEOWIHX-NRFANRHFSA-N 2 1 366.509 3.582 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000424430882 943924900 /nfs/dbraw/zinc/92/49/00/943924900.db2.gz DSWZSSHSDHAXKK-SFHVURJKSA-N 2 1 366.509 3.582 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417938956 943981155 /nfs/dbraw/zinc/98/11/55/943981155.db2.gz JJIUWRAIMXWOIE-XLIONFOSSA-N 2 1 371.550 3.623 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417938956 943981158 /nfs/dbraw/zinc/98/11/58/943981158.db2.gz JJIUWRAIMXWOIE-XLIONFOSSA-N 2 1 371.550 3.623 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425460658 944006128 /nfs/dbraw/zinc/00/61/28/944006128.db2.gz SLESPOWFRRTAOI-IBGZPJMESA-N 2 1 371.569 3.981 20 0 FHADMP C[C@@H]1C[C@H](NCc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959194 944009295 /nfs/dbraw/zinc/00/92/95/944009295.db2.gz LNJZKYQSSJUJTD-WIYYLYMNSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CCN1Cc1ccccc1 ZINC000417959194 944009301 /nfs/dbraw/zinc/00/93/01/944009301.db2.gz LNJZKYQSSJUJTD-WIYYLYMNSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417959194 944009309 /nfs/dbraw/zinc/00/93/09/944009309.db2.gz LNJZKYQSSJUJTD-WIYYLYMNSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959194 944009320 /nfs/dbraw/zinc/00/93/20/944009320.db2.gz LNJZKYQSSJUJTD-WIYYLYMNSA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@@H](NCc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959192 944009723 /nfs/dbraw/zinc/00/97/23/944009723.db2.gz LNJZKYQSSJUJTD-RXVVDRJESA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CCN1Cc1ccccc1 ZINC000417959192 944009729 /nfs/dbraw/zinc/00/97/29/944009729.db2.gz LNJZKYQSSJUJTD-RXVVDRJESA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417959192 944009731 /nfs/dbraw/zinc/00/97/31/944009731.db2.gz LNJZKYQSSJUJTD-RXVVDRJESA-N 2 1 365.521 3.531 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000417959192 944009737 /nfs/dbraw/zinc/00/97/37/944009737.db2.gz LNJZKYQSSJUJTD-RXVVDRJESA-N 2 1 365.521 3.531 20 0 FHADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414802462 944014698 /nfs/dbraw/zinc/01/46/98/944014698.db2.gz BNNOSLRHIUHCGT-UHFFFAOYSA-N 2 1 358.530 3.921 20 0 FHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000505086834 944028143 /nfs/dbraw/zinc/02/81/43/944028143.db2.gz YAGPUPIRBIXZRL-GZNCHQMQSA-N 2 1 361.574 3.553 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000437701651 944044991 /nfs/dbraw/zinc/04/49/91/944044991.db2.gz OZJXPOJUPLSKTR-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000437701651 944044999 /nfs/dbraw/zinc/04/49/99/944044999.db2.gz OZJXPOJUPLSKTR-GASCZTMLSA-N 2 1 354.897 3.800 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000517203323 944101956 /nfs/dbraw/zinc/10/19/56/944101956.db2.gz RDRUWLSXSPIIBB-UHFFFAOYSA-N 2 1 365.525 3.884 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000517203323 944101961 /nfs/dbraw/zinc/10/19/61/944101961.db2.gz RDRUWLSXSPIIBB-UHFFFAOYSA-N 2 1 365.525 3.884 20 0 FHADMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364249681 944153791 /nfs/dbraw/zinc/15/37/91/944153791.db2.gz HMJNACQWGKEKIW-YLJYHZDGSA-N 2 1 368.529 3.563 20 0 FHADMP c1ccc([C@H]2CC[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000436264416 944156010 /nfs/dbraw/zinc/15/60/10/944156010.db2.gz KGLMQDPARZUKDX-GOTSBHOMSA-N 2 1 350.506 3.945 20 0 FHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267643 944170653 /nfs/dbraw/zinc/17/06/53/944170653.db2.gz CCGQTZOCJAFOLT-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267643 944170655 /nfs/dbraw/zinc/17/06/55/944170655.db2.gz CCGQTZOCJAFOLT-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267643 944170657 /nfs/dbraw/zinc/17/06/57/944170657.db2.gz CCGQTZOCJAFOLT-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267643 944170660 /nfs/dbraw/zinc/17/06/60/944170660.db2.gz CCGQTZOCJAFOLT-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757375 944185367 /nfs/dbraw/zinc/18/53/67/944185367.db2.gz CKLPQOBRPDEJGS-ZCNNSNEGSA-N 2 1 373.585 3.805 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000414916974 944187924 /nfs/dbraw/zinc/18/79/24/944187924.db2.gz QOUCZDLTVUJTOC-MRXNPFEDSA-N 2 1 357.502 3.694 20 0 FHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccccc2)cc1OC ZINC000261933947 944235440 /nfs/dbraw/zinc/23/54/40/944235440.db2.gz DATHLBWLOXYWMS-UHFFFAOYSA-N 2 1 366.505 3.946 20 0 FHADMP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)c1 ZINC001167974822 944237518 /nfs/dbraw/zinc/23/75/18/944237518.db2.gz ALLQRVBTFYINKQ-SEJPIABJSA-N 2 1 370.537 3.696 20 0 FHADMP CCC[N@H+](CCOCCC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440457359 944245074 /nfs/dbraw/zinc/24/50/74/944245074.db2.gz NHFLZEJMLSRLGP-UHFFFAOYSA-N 2 1 362.562 3.837 20 0 FHADMP CCC[N@@H+](CCOCCC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440457359 944245081 /nfs/dbraw/zinc/24/50/81/944245081.db2.gz NHFLZEJMLSRLGP-UHFFFAOYSA-N 2 1 362.562 3.837 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414883960 944272863 /nfs/dbraw/zinc/27/28/63/944272863.db2.gz TYASTUCHFNZYMZ-MRXNPFEDSA-N 2 1 374.916 3.530 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCOC2CCOCC2)CC1 ZINC000366682180 944280772 /nfs/dbraw/zinc/28/07/72/944280772.db2.gz XLIKNZZQTOMMHZ-UHFFFAOYSA-N 2 1 360.542 3.605 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436409173 944298146 /nfs/dbraw/zinc/29/81/46/944298146.db2.gz IITUMXFEYUUUQM-FQEVSTJZSA-N 2 1 372.557 3.709 20 0 FHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156813 944311829 /nfs/dbraw/zinc/31/18/29/944311829.db2.gz KWVLIDFDGFNASV-DNQXCXABSA-N 2 1 364.533 3.927 20 0 FHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156813 944311839 /nfs/dbraw/zinc/31/18/39/944311839.db2.gz KWVLIDFDGFNASV-DNQXCXABSA-N 2 1 364.533 3.927 20 0 FHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000439083494 944322736 /nfs/dbraw/zinc/32/27/36/944322736.db2.gz GWITXZDKGKLLIN-IAGOWNOFSA-N 2 1 361.530 3.816 20 0 FHADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000438118130 944338238 /nfs/dbraw/zinc/33/82/38/944338238.db2.gz QDCHWIBBFPSHQG-UHFFFAOYSA-N 2 1 364.839 3.901 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167755077 944383705 /nfs/dbraw/zinc/38/37/05/944383705.db2.gz ZVTVQBZGVGAJFY-IBGZPJMESA-N 3 1 358.574 3.534 20 0 FHADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000390530358 944385288 /nfs/dbraw/zinc/38/52/88/944385288.db2.gz DNNYIMSFBNNCJP-GOSISDBHSA-N 2 1 362.468 3.539 20 0 FHADMP CCOc1ccc(C2=CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192783128 944394647 /nfs/dbraw/zinc/39/46/47/944394647.db2.gz HUMOLYAYYMKRBF-UHFFFAOYSA-N 2 1 371.569 3.591 20 0 FHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c2)cc1 ZINC000517567600 944407547 /nfs/dbraw/zinc/40/75/47/944407547.db2.gz NQYHBXGPZIRRGI-OAQYLSRUSA-N 2 1 369.509 3.753 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426306740 944409001 /nfs/dbraw/zinc/40/90/01/944409001.db2.gz LCVCFBIVUSLYQJ-KAGYGMCKSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426306740 944409004 /nfs/dbraw/zinc/40/90/04/944409004.db2.gz LCVCFBIVUSLYQJ-KAGYGMCKSA-N 2 1 367.512 3.905 20 0 FHADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000438195447 944410245 /nfs/dbraw/zinc/41/02/45/944410245.db2.gz AKIRSXBXDDFDDM-ROUUACIJSA-N 2 1 356.485 3.767 20 0 FHADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000438195447 944410251 /nfs/dbraw/zinc/41/02/51/944410251.db2.gz AKIRSXBXDDFDDM-ROUUACIJSA-N 2 1 356.485 3.767 20 0 FHADMP c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977423 944412841 /nfs/dbraw/zinc/41/28/41/944412841.db2.gz CHFPUHLSAVQFCD-FRIKZZABSA-N 2 1 354.538 3.773 20 0 FHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CCCCC1 ZINC000518513641 944458244 /nfs/dbraw/zinc/45/82/44/944458244.db2.gz IUHLBHZXQJRNPA-UHFFFAOYSA-N 2 1 371.569 3.684 20 0 FHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CCCCC1 ZINC000518513641 944458254 /nfs/dbraw/zinc/45/82/54/944458254.db2.gz IUHLBHZXQJRNPA-UHFFFAOYSA-N 2 1 371.569 3.684 20 0 FHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CCCCC1 ZINC000518513641 944458262 /nfs/dbraw/zinc/45/82/62/944458262.db2.gz IUHLBHZXQJRNPA-UHFFFAOYSA-N 2 1 371.569 3.684 20 0 FHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323833 944459611 /nfs/dbraw/zinc/45/96/11/944459611.db2.gz DGVONTGFGQKCKM-RHSMWYFYSA-N 2 1 351.332 3.801 20 0 FHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414887999 944469216 /nfs/dbraw/zinc/46/92/16/944469216.db2.gz XLGUUAHNJKIIOX-HNNXBMFYSA-N 2 1 351.416 3.801 20 0 FHADMP CCn1nc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000414991227 944484669 /nfs/dbraw/zinc/48/46/69/944484669.db2.gz ATNCHGYBWXYGAT-PKOBYXMFSA-N 2 1 366.484 3.678 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)NCc1cccc(C[NH+](C)C(C)C)c1)c1ccccc1 ZINC000517683395 944510086 /nfs/dbraw/zinc/51/00/86/944510086.db2.gz BTJWZZFFCYOMCH-QFIPXVFZSA-N 2 1 367.537 3.836 20 0 FHADMP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)c1ccccc1 ZINC000517683395 944510094 /nfs/dbraw/zinc/51/00/94/944510094.db2.gz BTJWZZFFCYOMCH-QFIPXVFZSA-N 2 1 367.537 3.836 20 0 FHADMP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccc1 ZINC000517683395 944510099 /nfs/dbraw/zinc/51/00/99/944510099.db2.gz BTJWZZFFCYOMCH-QFIPXVFZSA-N 2 1 367.537 3.836 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801265 944519380 /nfs/dbraw/zinc/51/93/80/944519380.db2.gz GWXCYLNVRHPTHW-RHSMWYFYSA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801265 944519383 /nfs/dbraw/zinc/51/93/83/944519383.db2.gz GWXCYLNVRHPTHW-RHSMWYFYSA-N 2 1 360.420 3.626 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801265 944519390 /nfs/dbraw/zinc/51/93/90/944519390.db2.gz GWXCYLNVRHPTHW-RHSMWYFYSA-N 2 1 360.420 3.626 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000518595395 944523616 /nfs/dbraw/zinc/52/36/16/944523616.db2.gz WOQQITDPHCCYNI-KDURUIRLSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000518595395 944523620 /nfs/dbraw/zinc/52/36/20/944523620.db2.gz WOQQITDPHCCYNI-KDURUIRLSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000518595395 944523622 /nfs/dbraw/zinc/52/36/22/944523622.db2.gz WOQQITDPHCCYNI-KDURUIRLSA-N 2 1 374.573 3.589 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1O ZINC000426356093 944544286 /nfs/dbraw/zinc/54/42/86/944544286.db2.gz HBHIYFATYDRWOK-SCTDSRPQSA-N 2 1 360.542 3.965 20 0 FHADMP CC(C)[N@H+]1CCc2nc(CNc3ccccc3CC[NH+](C)C)sc2C1 ZINC000438378156 944545968 /nfs/dbraw/zinc/54/59/68/944545968.db2.gz SGQMBWOCQRRXNA-UHFFFAOYSA-N 2 1 358.555 3.626 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000652075064 944571364 /nfs/dbraw/zinc/57/13/64/944571364.db2.gz YPXUCPIQGILNFT-QRWLVFNGSA-N 2 1 362.477 3.608 20 0 FHADMP Fc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964565 944626210 /nfs/dbraw/zinc/62/62/10/944626210.db2.gz SRKJALVYDILGFU-FRIKZZABSA-N 2 1 371.544 3.785 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C[C@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270244 944649771 /nfs/dbraw/zinc/64/97/71/944649771.db2.gz KJWSUSWKMLNTPU-UNMCSNQZSA-N 2 1 354.538 3.861 20 0 FHADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000759870686 944652595 /nfs/dbraw/zinc/65/25/95/944652595.db2.gz YJPNRTJMFNHPFX-RFUYNDQBSA-N 2 1 354.897 3.755 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000439476617 944658468 /nfs/dbraw/zinc/65/84/68/944658468.db2.gz RSKWJMUFDOVAMI-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000439476617 944658471 /nfs/dbraw/zinc/65/84/71/944658471.db2.gz RSKWJMUFDOVAMI-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC[C@@H]1C[NH+](Cc2cccc(C[N@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000439476617 944658477 /nfs/dbraw/zinc/65/84/77/944658477.db2.gz RSKWJMUFDOVAMI-SZPZYZBQSA-N 2 1 360.542 3.688 20 0 FHADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390684480 944712324 /nfs/dbraw/zinc/71/23/24/944712324.db2.gz XHNBDLCGYSMFEP-KBRMVUAJSA-N 2 1 352.526 3.693 20 0 FHADMP C[C@@H](CC(C)(C)C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000500386910 944713800 /nfs/dbraw/zinc/71/38/00/944713800.db2.gz NINDEEKDHMAHEN-SFHVURJKSA-N 2 1 365.606 3.713 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CCC[C@@H]3[NH+](C)C)c2c1C ZINC000439660647 944842382 /nfs/dbraw/zinc/84/23/82/944842382.db2.gz ZQNISIWEKOFQCE-HOTGVXAUSA-N 2 1 373.570 3.799 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836224 944854947 /nfs/dbraw/zinc/85/49/47/944854947.db2.gz UTUYVLSCCGYBJQ-TZIWHRDSSA-N 2 1 371.569 3.525 20 0 FHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010705 944928246 /nfs/dbraw/zinc/92/82/46/944928246.db2.gz QFLCNIYNYZCWOR-HOCLYGCPSA-N 2 1 360.395 3.683 20 0 FHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010705 944928254 /nfs/dbraw/zinc/92/82/54/944928254.db2.gz QFLCNIYNYZCWOR-HOCLYGCPSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010705 944928258 /nfs/dbraw/zinc/92/82/58/944928258.db2.gz QFLCNIYNYZCWOR-HOCLYGCPSA-N 2 1 360.395 3.683 20 0 FHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000518010705 944928266 /nfs/dbraw/zinc/92/82/66/944928266.db2.gz QFLCNIYNYZCWOR-HOCLYGCPSA-N 2 1 360.395 3.683 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@@H](C)C1 ZINC000437075624 944992993 /nfs/dbraw/zinc/99/29/93/944992993.db2.gz HDDGQGDCXVMNDW-SIKLNZKXSA-N 2 1 371.569 3.756 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000516563653 945014732 /nfs/dbraw/zinc/01/47/32/945014732.db2.gz NTGQSMXVNHIKFL-QGZVFWFLSA-N 2 1 369.484 3.970 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[NH2+]1 ZINC000414952428 945024778 /nfs/dbraw/zinc/02/47/78/945024778.db2.gz QSELFSHZHVGEFZ-ONGXEEELSA-N 2 1 367.209 3.578 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000516603350 945045987 /nfs/dbraw/zinc/04/59/87/945045987.db2.gz YQPWVYQUHCGTLI-SJPCQFCGSA-N 2 1 368.477 3.790 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000516603350 945045996 /nfs/dbraw/zinc/04/59/96/945045996.db2.gz YQPWVYQUHCGTLI-SJPCQFCGSA-N 2 1 368.477 3.790 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000516603350 945046007 /nfs/dbraw/zinc/04/60/07/945046007.db2.gz YQPWVYQUHCGTLI-SJPCQFCGSA-N 2 1 368.477 3.790 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000516603350 945046020 /nfs/dbraw/zinc/04/60/20/945046020.db2.gz YQPWVYQUHCGTLI-SJPCQFCGSA-N 2 1 368.477 3.790 20 0 FHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000660679697 945381277 /nfs/dbraw/zinc/38/12/77/945381277.db2.gz SMAYNGMZLNHJLY-UHFFFAOYSA-N 2 1 371.912 3.923 20 0 FHADMP [NH3+]CCc1cn(-c2cc[nH+]c(C3(C(F)(F)F)CC3)c2)c2ccc(O)cc12 ZINC001167986598 945387839 /nfs/dbraw/zinc/38/78/39/945387839.db2.gz BIAWLTAKAIBEIX-UHFFFAOYSA-N 2 1 361.367 3.826 20 0 FHADMP CCO[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420785 /nfs/dbraw/zinc/42/07/85/945420785.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420789 /nfs/dbraw/zinc/42/07/89/945420789.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420793 /nfs/dbraw/zinc/42/07/93/945420793.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 2 1 366.590 3.651 20 0 FHADMP O=C(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OCc1ccccc1 ZINC001167966628 945430566 /nfs/dbraw/zinc/43/05/66/945430566.db2.gz XWVVKYKGEBJJEC-SEJPIABJSA-N 2 1 356.510 3.505 20 0 FHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059540 945514593 /nfs/dbraw/zinc/51/45/93/945514593.db2.gz XCXLVRJUPKTAIZ-HZPDHXFCSA-N 2 1 354.441 3.651 20 0 FHADMP Cn1c2ccccc2nc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967104 945518347 /nfs/dbraw/zinc/51/83/47/945518347.db2.gz BPRDJFFENHJEPH-YQQQUEKLSA-N 2 1 352.526 3.501 20 0 FHADMP Brc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ncccc12 ZINC000262017665 945520578 /nfs/dbraw/zinc/52/05/78/945520578.db2.gz MWUQVTXZOFBSPK-UHFFFAOYSA-N 2 1 360.299 3.573 20 0 FHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187808949 945602107 /nfs/dbraw/zinc/60/21/07/945602107.db2.gz BDAXAHNNOVHNDW-QHCPKHFHSA-N 2 1 374.569 3.982 20 0 FHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000894456128 945687403 /nfs/dbraw/zinc/68/74/03/945687403.db2.gz LPWGVKRQNDDKKE-UHFFFAOYSA-N 2 1 357.445 3.942 20 0 FHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000894456128 945687409 /nfs/dbraw/zinc/68/74/09/945687409.db2.gz LPWGVKRQNDDKKE-UHFFFAOYSA-N 2 1 357.445 3.942 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612726 945707165 /nfs/dbraw/zinc/70/71/65/945707165.db2.gz NSSRFXWKGADHDC-HOCLYGCPSA-N 2 1 366.431 3.819 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000579063063 945738531 /nfs/dbraw/zinc/73/85/31/945738531.db2.gz QJWHBJHFUJBPPP-QGZVFWFLSA-N 2 1 351.485 3.696 20 0 FHADMP CC[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167970394 945776515 /nfs/dbraw/zinc/77/65/15/945776515.db2.gz JFVCUQDYKWKDPG-QBUWPKIASA-N 2 1 365.562 3.675 20 0 FHADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000281727517 945825258 /nfs/dbraw/zinc/82/52/58/945825258.db2.gz PPKUSOQQRLNRGV-MTIDIVMFSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000281727517 945825273 /nfs/dbraw/zinc/82/52/73/945825273.db2.gz PPKUSOQQRLNRGV-MTIDIVMFSA-N 2 1 360.542 3.685 20 0 FHADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000281727517 945825288 /nfs/dbraw/zinc/82/52/88/945825288.db2.gz PPKUSOQQRLNRGV-MTIDIVMFSA-N 2 1 360.542 3.685 20 0 FHADMP Cc1nc(C)c(C)c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000301732107 945938222 /nfs/dbraw/zinc/93/82/22/945938222.db2.gz YJCRPSQOIXDELR-SFTDATJTSA-N 2 1 350.510 3.893 20 0 FHADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000522893916 946074455 /nfs/dbraw/zinc/07/44/55/946074455.db2.gz ICTYQVALXZJIPS-NQIIRXRSSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000522893916 946074468 /nfs/dbraw/zinc/07/44/68/946074468.db2.gz ICTYQVALXZJIPS-NQIIRXRSSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000522893916 946074481 /nfs/dbraw/zinc/07/44/81/946074481.db2.gz ICTYQVALXZJIPS-NQIIRXRSSA-N 2 1 357.542 3.552 20 0 FHADMP Cc1nc(C2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)no1 ZINC001168053293 946207894 /nfs/dbraw/zinc/20/78/94/946207894.db2.gz NCWDXQXUSTWQKB-UPHUGPLXSA-N 2 1 368.525 3.999 20 0 FHADMP Clc1ccc2c(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c[nH]c2c1 ZINC000655704241 946220990 /nfs/dbraw/zinc/22/09/90/946220990.db2.gz UTVZKUWEDFRIKL-GOSISDBHSA-N 2 1 361.917 3.597 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930400 946305422 /nfs/dbraw/zinc/30/54/22/946305422.db2.gz RCUNELHRPLQIGI-VXKWHMMOSA-N 2 1 354.538 3.978 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930400 946305431 /nfs/dbraw/zinc/30/54/31/946305431.db2.gz RCUNELHRPLQIGI-VXKWHMMOSA-N 2 1 354.538 3.978 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252908 946348025 /nfs/dbraw/zinc/34/80/25/946348025.db2.gz KHVKOWIGHKQKFS-CEMLEFRQSA-N 2 1 374.569 3.937 20 0 FHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000514636249 946631715 /nfs/dbraw/zinc/63/17/15/946631715.db2.gz UNWXHGXFCQCMJY-UHFFFAOYSA-N 2 1 368.399 3.641 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000536266524 946660725 /nfs/dbraw/zinc/66/07/25/946660725.db2.gz FEQFLCQUADHVFC-FKBYEOEOSA-N 2 1 365.521 3.631 20 0 FHADMP C[NH2+]CCc1c(C)nn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001168059471 946698446 /nfs/dbraw/zinc/69/84/46/946698446.db2.gz FRTHKDRCPQFHHY-UPHUGPLXSA-N 2 1 354.542 3.876 20 0 FHADMP c1ccc(C[NH+]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167991996 946705957 /nfs/dbraw/zinc/70/59/57/946705957.db2.gz GIAUNLIXAAKEMZ-AIZNXBIQSA-N 2 1 353.554 3.600 20 0 FHADMP c1ccc(C[N@H+]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001167991996 946705967 /nfs/dbraw/zinc/70/59/67/946705967.db2.gz GIAUNLIXAAKEMZ-AIZNXBIQSA-N 2 1 353.554 3.600 20 0 FHADMP c1ccc(C[N@@H+]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001167991996 946705970 /nfs/dbraw/zinc/70/59/70/946705970.db2.gz GIAUNLIXAAKEMZ-AIZNXBIQSA-N 2 1 353.554 3.600 20 0 FHADMP C[C@@H]1CC([N@H+](C)[C@H]2CCC3(C2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059896 946749285 /nfs/dbraw/zinc/74/92/85/946749285.db2.gz VTJWHEKJYXIVQG-GGPKGHCWSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1CC([N@@H+](C)[C@H]2CCC3(C2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059896 946749290 /nfs/dbraw/zinc/74/92/90/946749290.db2.gz VTJWHEKJYXIVQG-GGPKGHCWSA-N 2 1 358.526 3.655 20 0 FHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270478 946802969 /nfs/dbraw/zinc/80/29/69/946802969.db2.gz RDHHZQQCEYMNKG-CRAIPNDOSA-N 2 1 369.475 3.990 20 0 FHADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475283851 946821756 /nfs/dbraw/zinc/82/17/56/946821756.db2.gz WXKFBWAXKNEGIH-YMISUZCDSA-N 2 1 358.526 3.610 20 0 FHADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000188445525 946829654 /nfs/dbraw/zinc/82/96/54/946829654.db2.gz ACWHCFOZQJLMGZ-LAUBAEHRSA-N 2 1 356.485 3.503 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975840 946873728 /nfs/dbraw/zinc/87/37/28/946873728.db2.gz GPXHCCUOGICSRH-ILXRZTDVSA-N 2 1 367.896 3.518 20 0 FHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975840 946873744 /nfs/dbraw/zinc/87/37/44/946873744.db2.gz GPXHCCUOGICSRH-ILXRZTDVSA-N 2 1 367.896 3.518 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348538 946892431 /nfs/dbraw/zinc/89/24/31/946892431.db2.gz HQQRIDZPYZRVBP-QBIMZIAESA-N 2 1 373.324 3.591 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000123949366 946918491 /nfs/dbraw/zinc/91/84/91/946918491.db2.gz ITADEHVEAAYANA-LJQANCHMSA-N 2 1 369.484 3.786 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360960 946927839 /nfs/dbraw/zinc/92/78/39/946927839.db2.gz VCLDWXKNUONHKV-KBAYOESNSA-N 2 1 354.947 3.793 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062134 946952863 /nfs/dbraw/zinc/95/28/63/946952863.db2.gz JCINGIRNVRELJD-PIKOESSRSA-N 2 1 364.480 3.928 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062134 946952870 /nfs/dbraw/zinc/95/28/70/946952870.db2.gz JCINGIRNVRELJD-PIKOESSRSA-N 2 1 364.480 3.928 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062134 946952878 /nfs/dbraw/zinc/95/28/78/946952878.db2.gz JCINGIRNVRELJD-PIKOESSRSA-N 2 1 364.480 3.928 20 0 FHADMP c1ccc(C[NH+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981039 /nfs/dbraw/zinc/98/10/39/946981039.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981051 /nfs/dbraw/zinc/98/10/51/946981051.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981059 /nfs/dbraw/zinc/98/10/59/946981059.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981072 /nfs/dbraw/zinc/98/10/72/946981072.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981078 /nfs/dbraw/zinc/98/10/78/946981078.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981082 /nfs/dbraw/zinc/98/10/82/946981082.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981093 /nfs/dbraw/zinc/98/10/93/946981093.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063826 947035928 /nfs/dbraw/zinc/03/59/28/947035928.db2.gz NNUWMWFMYULJDB-CMKODMSKSA-N 2 1 358.526 3.703 20 0 FHADMP CN(CC[N@@H+](C)Cc1ccc(-c2ccsc2)cc1)C1CC[NH+](C)CC1 ZINC000444664455 947090801 /nfs/dbraw/zinc/09/08/01/947090801.db2.gz QVWSAKKEGVCIIB-UHFFFAOYSA-N 2 1 357.567 3.873 20 0 FHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000192918763 947104959 /nfs/dbraw/zinc/10/49/59/947104959.db2.gz LPYODSNUQXVFNY-UGKGYDQZSA-N 2 1 350.506 3.664 20 0 FHADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000192921824 947105148 /nfs/dbraw/zinc/10/51/48/947105148.db2.gz DIQCLRYOJGZPKV-OAQYLSRUSA-N 2 1 360.505 3.792 20 0 FHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560038 947296150 /nfs/dbraw/zinc/29/61/50/947296150.db2.gz JFXJXDZAUFIUIL-FUMNGEBKSA-N 2 1 371.569 3.803 20 0 FHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560038 947296161 /nfs/dbraw/zinc/29/61/61/947296161.db2.gz JFXJXDZAUFIUIL-FUMNGEBKSA-N 2 1 371.569 3.803 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612816 947331599 /nfs/dbraw/zinc/33/15/99/947331599.db2.gz SIRVJQSGVHFBRS-DZFGPLHGSA-N 2 1 360.542 3.799 20 0 FHADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000523851487 947652176 /nfs/dbraw/zinc/65/21/76/947652176.db2.gz SRHYVYZVSYGNEQ-PBHICJAKSA-N 2 1 353.938 3.931 20 0 FHADMP FC(F)(F)c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256125 947677843 /nfs/dbraw/zinc/67/78/43/947677843.db2.gz GQFWGCDLYXWPQQ-SJORKVTESA-N 2 1 354.416 3.753 20 0 FHADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274556 947699716 /nfs/dbraw/zinc/69/97/16/947699716.db2.gz VXKWFYLFZUNILI-CHWSQXEVSA-N 2 1 372.738 3.709 20 0 FHADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274556 947699720 /nfs/dbraw/zinc/69/97/20/947699720.db2.gz VXKWFYLFZUNILI-CHWSQXEVSA-N 2 1 372.738 3.709 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)CC1CC1 ZINC000662279047 947702438 /nfs/dbraw/zinc/70/24/38/947702438.db2.gz PIGFMBBGUYEHAN-UHFFFAOYSA-N 3 1 355.570 3.666 20 0 FHADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662298004 947719351 /nfs/dbraw/zinc/71/93/51/947719351.db2.gz SYCYDDDFPCSXEW-GOSISDBHSA-N 2 1 355.482 3.562 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298457 947721162 /nfs/dbraw/zinc/72/11/62/947721162.db2.gz WEKFSKVIMJGHDA-WBVHZDCISA-N 2 1 363.933 3.687 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295795 947722931 /nfs/dbraw/zinc/72/29/31/947722931.db2.gz UMPUJROHPVGDMA-AZUAARDMSA-N 2 1 357.542 3.650 20 0 FHADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313198 947738825 /nfs/dbraw/zinc/73/88/25/947738825.db2.gz GFXKBFZJEVLSCN-JTDSTZFVSA-N 2 1 365.949 3.699 20 0 FHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1CCC[NH3+] ZINC000662313683 947747570 /nfs/dbraw/zinc/74/75/70/947747570.db2.gz VZKQHKUZRWQFDA-IUODEOHRSA-N 2 1 358.313 3.771 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CCO1 ZINC000662321371 947749360 /nfs/dbraw/zinc/74/93/60/947749360.db2.gz HNFAXYQELOTZGB-QFIPXVFZSA-N 2 1 356.510 3.651 20 0 FHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000662327665 947758532 /nfs/dbraw/zinc/75/85/32/947758532.db2.gz SUHLBYITCDIIJH-UHFFFAOYSA-N 2 1 374.573 3.653 20 0 FHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000662327466 947759489 /nfs/dbraw/zinc/75/94/89/947759489.db2.gz OUOGYAZOQHSBHB-UHFFFAOYSA-N 2 1 364.537 3.745 20 0 FHADMP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000189636224 947796431 /nfs/dbraw/zinc/79/64/31/947796431.db2.gz OTWNIVWHTCMRBK-IEBWSBKVSA-N 2 1 370.459 3.724 20 0 FHADMP Clc1ccccc1Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663346984 947814689 /nfs/dbraw/zinc/81/46/89/947814689.db2.gz DSRFEGMVROETRL-GOSISDBHSA-N 2 1 372.944 3.796 20 0 FHADMP Clc1ccccc1Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663346984 947814693 /nfs/dbraw/zinc/81/46/93/947814693.db2.gz DSRFEGMVROETRL-GOSISDBHSA-N 2 1 372.944 3.796 20 0 FHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346548 947816085 /nfs/dbraw/zinc/81/60/85/947816085.db2.gz ULYZJSJHHOZBCW-INIZCTEOSA-N 2 1 358.555 3.793 20 0 FHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346548 947816094 /nfs/dbraw/zinc/81/60/94/947816094.db2.gz ULYZJSJHHOZBCW-INIZCTEOSA-N 2 1 358.555 3.793 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000663359469 947847834 /nfs/dbraw/zinc/84/78/34/947847834.db2.gz HFQQQTDCRCOILZ-NRFANRHFSA-N 2 1 365.521 3.541 20 0 FHADMP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925770632 947941674 /nfs/dbraw/zinc/94/16/74/947941674.db2.gz JQCHPWDLCNIDFT-XMGTWHOFSA-N 2 1 352.453 3.858 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000662684767 947979703 /nfs/dbraw/zinc/97/97/03/947979703.db2.gz IOSUPSZWXZCCSZ-UHFFFAOYSA-N 2 1 352.482 3.668 20 0 FHADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1NC(C)=O ZINC000131861930 948029402 /nfs/dbraw/zinc/02/94/02/948029402.db2.gz XWWNWURXOAVCSI-UHFFFAOYSA-N 2 1 359.514 3.540 20 0 FHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467511 948054865 /nfs/dbraw/zinc/05/48/65/948054865.db2.gz GLIYCMXSZHUIEX-HKUYNNGSSA-N 2 1 357.542 3.678 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467948 948060680 /nfs/dbraw/zinc/06/06/80/948060680.db2.gz IYGDNDIRDAHZJI-DOTOQJQBSA-N 2 1 355.526 3.689 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467952 948060868 /nfs/dbraw/zinc/06/08/68/948060868.db2.gz IYGDNDIRDAHZJI-NVXWUHKLSA-N 2 1 355.526 3.689 20 0 FHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469846 948065694 /nfs/dbraw/zinc/06/56/94/948065694.db2.gz REACMSBMBVQBIB-WOJBJXKFSA-N 2 1 360.542 3.737 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001167821185 948075780 /nfs/dbraw/zinc/07/57/80/948075780.db2.gz CKAIDTQGCYMLJM-HMXCVIKNSA-N 2 1 357.542 3.767 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473202183 948088074 /nfs/dbraw/zinc/08/80/74/948088074.db2.gz QDVGOUROZSCHEC-LEWJYISDSA-N 2 1 359.558 3.524 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001167822930 948096169 /nfs/dbraw/zinc/09/61/69/948096169.db2.gz BTSIECAXFZJWBS-IBGZPJMESA-N 2 1 358.574 3.933 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827021 948134827 /nfs/dbraw/zinc/13/48/27/948134827.db2.gz RLILMRDYTXAXTK-FXAWDEMLSA-N 2 1 363.571 3.687 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827817 948160011 /nfs/dbraw/zinc/16/00/11/948160011.db2.gz XUFVDZSUQNQSFT-MSOLQXFVSA-N 2 1 355.567 3.686 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144078 948213728 /nfs/dbraw/zinc/21/37/28/948213728.db2.gz AXELSSGYJDIYMK-RBUKOAKNSA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144078 948213736 /nfs/dbraw/zinc/21/37/36/948213736.db2.gz AXELSSGYJDIYMK-RBUKOAKNSA-N 2 1 362.477 3.567 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144078 948213746 /nfs/dbraw/zinc/21/37/46/948213746.db2.gz AXELSSGYJDIYMK-RBUKOAKNSA-N 2 1 362.477 3.567 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001167833423 948223995 /nfs/dbraw/zinc/22/39/95/948223995.db2.gz BCDCIFMHZPFNSJ-KSZLIROESA-N 2 1 355.567 3.875 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000388821242 948227509 /nfs/dbraw/zinc/22/75/09/948227509.db2.gz WIAYCVROXNIUBR-PKOBYXMFSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000388821242 948227518 /nfs/dbraw/zinc/22/75/18/948227518.db2.gz WIAYCVROXNIUBR-PKOBYXMFSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000388821228 948227603 /nfs/dbraw/zinc/22/76/03/948227603.db2.gz WIAYCVROXNIUBR-HKUYNNGSSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000388821228 948227610 /nfs/dbraw/zinc/22/76/10/948227610.db2.gz WIAYCVROXNIUBR-HKUYNNGSSA-N 2 1 354.494 3.704 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001167834137 948247782 /nfs/dbraw/zinc/24/77/82/948247782.db2.gz HZTFYEUVXYJDDQ-ZWKOTPCHSA-N 2 1 355.567 3.828 20 0 FHADMP c1ccc(CN2C[C@@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271914 /nfs/dbraw/zinc/27/19/14/948271914.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271920 /nfs/dbraw/zinc/27/19/20/948271920.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@@H]3CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271929 /nfs/dbraw/zinc/27/19/29/948271929.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271935 /nfs/dbraw/zinc/27/19/35/948271935.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271943 /nfs/dbraw/zinc/27/19/43/948271943.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271952 /nfs/dbraw/zinc/27/19/52/948271952.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271957 /nfs/dbraw/zinc/27/19/57/948271957.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 1 365.565 3.598 20 0 FHADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003258 948289897 /nfs/dbraw/zinc/28/98/97/948289897.db2.gz METMARADKMJVDJ-DFNIBXOVSA-N 2 1 365.562 3.581 20 0 FHADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003258 948289905 /nfs/dbraw/zinc/28/99/05/948289905.db2.gz METMARADKMJVDJ-DFNIBXOVSA-N 2 1 365.562 3.581 20 0 FHADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003258 948289914 /nfs/dbraw/zinc/28/99/14/948289914.db2.gz METMARADKMJVDJ-DFNIBXOVSA-N 2 1 365.562 3.581 20 0 FHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001168003645 948296000 /nfs/dbraw/zinc/29/60/00/948296000.db2.gz PWKVUADSTJPJMX-QUFMSWDXSA-N 2 1 353.554 3.598 20 0 FHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001168003645 948296009 /nfs/dbraw/zinc/29/60/09/948296009.db2.gz PWKVUADSTJPJMX-QUFMSWDXSA-N 2 1 353.554 3.598 20 0 FHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001168003645 948296016 /nfs/dbraw/zinc/29/60/16/948296016.db2.gz PWKVUADSTJPJMX-QUFMSWDXSA-N 2 1 353.554 3.598 20 0 FHADMP C[NH+](C)Cc1cnc(CNCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000512045568 948296813 /nfs/dbraw/zinc/29/68/13/948296813.db2.gz MUPFJPFVDQUVMB-UHFFFAOYSA-N 2 1 372.582 3.871 20 0 FHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H](C)CCC[NH+](CC)CC ZINC001167839840 948322829 /nfs/dbraw/zinc/32/28/29/948322829.db2.gz CDLFKNCJAOBKGU-RBUKOAKNSA-N 2 1 358.567 3.567 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407190 948346681 /nfs/dbraw/zinc/34/66/81/948346681.db2.gz LBGGBUSQOSFLRE-HUUCEWRRSA-N 2 1 360.420 3.737 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407190 948346686 /nfs/dbraw/zinc/34/66/86/948346686.db2.gz LBGGBUSQOSFLRE-HUUCEWRRSA-N 2 1 360.420 3.737 20 0 FHADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412367 948359074 /nfs/dbraw/zinc/35/90/74/948359074.db2.gz BPTZOLUHGXQIEJ-HZPDHXFCSA-N 2 1 352.544 3.569 20 0 FHADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412367 948359084 /nfs/dbraw/zinc/35/90/84/948359084.db2.gz BPTZOLUHGXQIEJ-HZPDHXFCSA-N 2 1 352.544 3.569 20 0 FHADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432422153 948385590 /nfs/dbraw/zinc/38/55/90/948385590.db2.gz SCPALUASJOSDFJ-QUCCMNQESA-N 2 1 350.572 3.894 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088701 948392398 /nfs/dbraw/zinc/39/23/98/948392398.db2.gz POTQGPSHYSFWMN-KRWDZBQOSA-N 2 1 372.582 3.869 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088701 948392404 /nfs/dbraw/zinc/39/24/04/948392404.db2.gz POTQGPSHYSFWMN-KRWDZBQOSA-N 2 1 372.582 3.869 20 0 FHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCOc2ccc(Cl)cc2)s1 ZINC000512108695 948437745 /nfs/dbraw/zinc/43/77/45/948437745.db2.gz ULITXPYQRCFVBW-UHFFFAOYSA-N 2 1 353.919 3.807 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507792806 948532644 /nfs/dbraw/zinc/53/26/44/948532644.db2.gz IDOMNZDZBASBSP-YLJYHZDGSA-N 2 1 358.505 3.893 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507792806 948532648 /nfs/dbraw/zinc/53/26/48/948532648.db2.gz IDOMNZDZBASBSP-YLJYHZDGSA-N 2 1 358.505 3.893 20 0 FHADMP C[C@H]1CC([NH2+]Cc2ccc3c(c2)OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006225 948560561 /nfs/dbraw/zinc/56/05/61/948560561.db2.gz MPJICTJJLJBSKP-IRXDYDNUSA-N 2 1 352.478 3.947 20 0 FHADMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663693893 948649895 /nfs/dbraw/zinc/64/98/95/948649895.db2.gz BMFBESWEDWJTKF-IEBWSBKVSA-N 2 1 369.484 3.655 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000512179080 948661963 /nfs/dbraw/zinc/66/19/63/948661963.db2.gz LIABFROILPNIHS-IYBDPMFKSA-N 2 1 366.933 3.670 20 0 FHADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC001168007693 948667315 /nfs/dbraw/zinc/66/73/15/948667315.db2.gz GNCLZBSDXHTJAH-GOSISDBHSA-N 2 1 357.929 3.705 20 0 FHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC001168007693 948667318 /nfs/dbraw/zinc/66/73/18/948667318.db2.gz GNCLZBSDXHTJAH-GOSISDBHSA-N 2 1 357.929 3.705 20 0 FHADMP COc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512180666 948693659 /nfs/dbraw/zinc/69/36/59/948693659.db2.gz AVGWRIDPFWNQDM-HOTGVXAUSA-N 2 1 366.933 3.670 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000512182558 948706063 /nfs/dbraw/zinc/70/60/63/948706063.db2.gz DKNWBSRQYBOKLB-GJZGRUSLSA-N 2 1 354.897 3.800 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000367215060 948796085 /nfs/dbraw/zinc/79/60/85/948796085.db2.gz CHCJQYPOWQMOQD-FQEVSTJZSA-N 2 1 353.445 3.622 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000367215060 948796092 /nfs/dbraw/zinc/79/60/92/948796092.db2.gz CHCJQYPOWQMOQD-FQEVSTJZSA-N 2 1 353.445 3.622 20 0 FHADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194444 567949569 /nfs/dbraw/zinc/94/95/69/567949569.db2.gz IJKVLPVHYGWFQX-OAQYLSRUSA-N 2 1 369.553 3.633 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000064738941 568005616 /nfs/dbraw/zinc/00/56/16/568005616.db2.gz AHULHVDRLWLQRS-UHFFFAOYSA-N 2 1 359.558 3.721 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602672360 568008233 /nfs/dbraw/zinc/00/82/33/568008233.db2.gz XJKSICZFRAZLHO-NHZRIVAWSA-N 2 1 368.546 3.882 20 0 FHADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602672360 568008234 /nfs/dbraw/zinc/00/82/34/568008234.db2.gz XJKSICZFRAZLHO-NHZRIVAWSA-N 2 1 368.546 3.882 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430157 568030440 /nfs/dbraw/zinc/03/04/40/568030440.db2.gz RJWCMJNRDFUFPN-SFHVURJKSA-N 2 1 351.579 3.610 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1)C(C)C ZINC000521433802 568051149 /nfs/dbraw/zinc/05/11/49/568051149.db2.gz ZLOXAASCJYRMTC-UHFFFAOYSA-N 2 1 351.494 3.815 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603380997 568094073 /nfs/dbraw/zinc/09/40/73/568094073.db2.gz FHIGJIKFVFKLLM-GOSISDBHSA-N 2 1 365.525 3.921 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603380997 568094074 /nfs/dbraw/zinc/09/40/74/568094074.db2.gz FHIGJIKFVFKLLM-GOSISDBHSA-N 2 1 365.525 3.921 20 0 FHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563135101 568267116 /nfs/dbraw/zinc/26/71/16/568267116.db2.gz FVEDHWDUHIIERG-NRFANRHFSA-N 2 1 366.505 3.550 20 0 FHADMP Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000643251125 568317874 /nfs/dbraw/zinc/31/78/74/568317874.db2.gz PBRKKWAIDIROMA-JOCHJYFZSA-N 2 1 352.478 3.562 20 0 FHADMP Oc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000643251125 568317875 /nfs/dbraw/zinc/31/78/75/568317875.db2.gz PBRKKWAIDIROMA-JOCHJYFZSA-N 2 1 352.478 3.562 20 0 FHADMP C[C@H](CC[N@H+]1CCC[C@]2(CCCOC2)C1)[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334242 /nfs/dbraw/zinc/33/42/42/568334242.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@]2(CCCOC2)C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334243 /nfs/dbraw/zinc/33/42/43/568334243.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@H](CC[NH+]1CCC[C@]2(CCCOC2)C1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334244 /nfs/dbraw/zinc/33/42/44/568334244.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 2 1 364.574 3.550 20 0 FHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736198000 599337438 /nfs/dbraw/zinc/33/74/38/599337438.db2.gz OXYWQUHDLDCVPE-ZWKOTPCHSA-N 2 1 368.529 3.516 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]21 ZINC001165027184 721803154 /nfs/dbraw/zinc/80/31/54/721803154.db2.gz UDDKZBSJGHKPAS-SLYNCCJLSA-N 2 1 361.493 3.695 20 0 FHADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164937862 721913821 /nfs/dbraw/zinc/91/38/21/721913821.db2.gz UKUVMJMGMQPNJF-KDURUIRLSA-N 2 1 368.550 3.592 20 0 FHADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)cc[nH+]4)CC3)C2)cc1 ZINC001164939542 721919753 /nfs/dbraw/zinc/91/97/53/721919753.db2.gz UPJTTZMKYNDXME-UHFFFAOYSA-N 2 1 351.494 3.570 20 0 FHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)cc[nH+]4)CC3)C2)cc1 ZINC001164939542 721919756 /nfs/dbraw/zinc/91/97/56/721919756.db2.gz UPJTTZMKYNDXME-UHFFFAOYSA-N 2 1 351.494 3.570 20 0 FHADMP CC(C)Oc1cc[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951749 722018729 /nfs/dbraw/zinc/01/87/29/722018729.db2.gz DDVMMJSPGXRSDN-UHFFFAOYSA-N 2 1 366.509 3.756 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942990 936314584 /nfs/dbraw/zinc/31/45/84/936314584.db2.gz FMESUAQFHWUHLR-RTBURBONSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942990 936314595 /nfs/dbraw/zinc/31/45/95/936314595.db2.gz FMESUAQFHWUHLR-RTBURBONSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942990 936314602 /nfs/dbraw/zinc/31/46/02/936314602.db2.gz FMESUAQFHWUHLR-RTBURBONSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000582942990 936314606 /nfs/dbraw/zinc/31/46/06/936314606.db2.gz FMESUAQFHWUHLR-RTBURBONSA-N 2 1 367.537 3.625 20 0 FHADMP C[C@H](O)C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000121518599 936328589 /nfs/dbraw/zinc/32/85/89/936328589.db2.gz QPKOPNQDJJTVEM-REWPJTCUSA-N 2 1 366.549 3.838 20 0 FHADMP C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000583023199 936377452 /nfs/dbraw/zinc/37/74/52/936377452.db2.gz CYKKRAKRKYMNFW-DYXWJJEUSA-N 2 1 371.912 3.682 20 0 FHADMP C[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000583023199 936377456 /nfs/dbraw/zinc/37/74/56/936377456.db2.gz CYKKRAKRKYMNFW-DYXWJJEUSA-N 2 1 371.912 3.682 20 0 FHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772236 945069241 /nfs/dbraw/zinc/06/92/41/945069241.db2.gz UJZOIQUFTMNKBF-CTNGQTDRSA-N 2 1 371.569 3.668 20 0 FHADMP CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000150725645 937078507 /nfs/dbraw/zinc/07/85/07/937078507.db2.gz XBBBYJNBYGCCDZ-FQEVSTJZSA-N 2 1 373.541 3.502 20 0 FHADMP CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000150725645 937078510 /nfs/dbraw/zinc/07/85/10/937078510.db2.gz XBBBYJNBYGCCDZ-FQEVSTJZSA-N 2 1 373.541 3.502 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123735221 937176089 /nfs/dbraw/zinc/17/60/89/937176089.db2.gz ALKQDSQGUURXJW-TZMCWYRMSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123735221 937176090 /nfs/dbraw/zinc/17/60/90/937176090.db2.gz ALKQDSQGUURXJW-TZMCWYRMSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123735221 937176091 /nfs/dbraw/zinc/17/60/91/937176091.db2.gz ALKQDSQGUURXJW-TZMCWYRMSA-N 2 1 358.313 3.737 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123735221 937176092 /nfs/dbraw/zinc/17/60/92/937176092.db2.gz ALKQDSQGUURXJW-TZMCWYRMSA-N 2 1 358.313 3.737 20 0 FHADMP CSC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430192049 927763401 /nfs/dbraw/zinc/76/34/01/927763401.db2.gz NMFGBEAMBAAWBF-GOSISDBHSA-N 2 1 361.599 3.792 20 0 FHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612464 928250724 /nfs/dbraw/zinc/25/07/24/928250724.db2.gz AOFAPFHZOZWTLY-OAQYLSRUSA-N 2 1 366.505 3.817 20 0 FHADMP COC(=O)c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612464 928250740 /nfs/dbraw/zinc/25/07/40/928250740.db2.gz AOFAPFHZOZWTLY-OAQYLSRUSA-N 2 1 366.505 3.817 20 0 FHADMP COC(=O)c1ccc(C[NH+](Cc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612464 928250752 /nfs/dbraw/zinc/25/07/52/928250752.db2.gz AOFAPFHZOZWTLY-OAQYLSRUSA-N 2 1 366.505 3.817 20 0 FHADMP COC(=O)c1ccc(C[NH+](Cc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612464 928250768 /nfs/dbraw/zinc/25/07/68/928250768.db2.gz AOFAPFHZOZWTLY-OAQYLSRUSA-N 2 1 366.505 3.817 20 0 FHADMP CC/C=C\CC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001208725374 928539751 /nfs/dbraw/zinc/53/97/51/928539751.db2.gz JXVZQKQKXXHLFD-XDXAGZTOSA-N 2 1 363.571 3.802 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2c1OCCCO2 ZINC000583230738 937260063 /nfs/dbraw/zinc/26/00/63/937260063.db2.gz FCTSIKNHEDQKCF-UHFFFAOYSA-N 2 1 354.494 3.932 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154543316 928917801 /nfs/dbraw/zinc/91/78/01/928917801.db2.gz DTQILGJDOYZYSI-MRXNPFEDSA-N 2 1 373.463 3.654 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H](C)C2 ZINC000180010598 929309443 /nfs/dbraw/zinc/30/94/43/929309443.db2.gz YWJLFWOXXDMLMZ-FDDCHVKYSA-N 2 1 350.506 3.850 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000154848120 929366448 /nfs/dbraw/zinc/36/64/48/929366448.db2.gz ODYZVCQAXZPGRS-UHFFFAOYSA-N 2 1 357.464 3.643 20 0 FHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1Oc1cccnc1 ZINC000657750166 937337438 /nfs/dbraw/zinc/33/74/38/937337438.db2.gz BZRKEENTVHJFNM-FQEVSTJZSA-N 2 1 367.493 3.525 20 0 FHADMP COc1cncc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001206997505 929670900 /nfs/dbraw/zinc/67/09/00/929670900.db2.gz GPADZVOKLSFIES-UHFFFAOYSA-N 2 1 365.521 3.968 20 0 FHADMP Cc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691585 929809148 /nfs/dbraw/zinc/80/91/48/929809148.db2.gz ZMSOIZSJBMVYPS-CUDBPUKSSA-N 2 1 350.506 3.814 20 0 FHADMP Cc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691585 929809150 /nfs/dbraw/zinc/80/91/50/929809150.db2.gz ZMSOIZSJBMVYPS-CUDBPUKSSA-N 2 1 350.506 3.814 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000683722885 929922945 /nfs/dbraw/zinc/92/29/45/929922945.db2.gz LMSDAPLTPROWRU-VOQZNFBZSA-N 2 1 350.506 3.892 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000683722885 929922956 /nfs/dbraw/zinc/92/29/56/929922956.db2.gz LMSDAPLTPROWRU-VOQZNFBZSA-N 2 1 350.506 3.892 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CC3 ZINC000123304511 929977245 /nfs/dbraw/zinc/97/72/45/929977245.db2.gz MAYBDTJZSUEDNY-INIZCTEOSA-N 2 1 352.482 3.609 20 0 FHADMP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000123647368 930077272 /nfs/dbraw/zinc/07/72/72/930077272.db2.gz WGXRQUQRDQZUOO-UHFFFAOYSA-N 3 1 369.528 3.684 20 0 FHADMP C[NH+](C)Cc1cccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000123647368 930077274 /nfs/dbraw/zinc/07/72/74/930077274.db2.gz WGXRQUQRDQZUOO-UHFFFAOYSA-N 2 1 369.528 3.684 20 0 FHADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000063583500 930110109 /nfs/dbraw/zinc/11/01/09/930110109.db2.gz DSQVXYKXCCBRJH-QGZVFWFLSA-N 2 1 373.463 3.545 20 0 FHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160387326 930280344 /nfs/dbraw/zinc/28/03/44/930280344.db2.gz GVIBGRFGAZUVMN-PBHICJAKSA-N 2 1 366.937 3.552 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000160442123 930405603 /nfs/dbraw/zinc/40/56/03/930405603.db2.gz CNYLVSGTOBJSOC-IBGZPJMESA-N 2 1 368.521 3.638 20 0 FHADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000656188335 930556280 /nfs/dbraw/zinc/55/62/80/930556280.db2.gz CPPGEAWNQAECNA-FQEVSTJZSA-N 2 1 362.477 3.788 20 0 FHADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838269 930641182 /nfs/dbraw/zinc/64/11/82/930641182.db2.gz DZSSXLSVQAQJJW-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838269 930641185 /nfs/dbraw/zinc/64/11/85/930641185.db2.gz DZSSXLSVQAQJJW-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838269 930641189 /nfs/dbraw/zinc/64/11/89/930641189.db2.gz DZSSXLSVQAQJJW-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838269 930641191 /nfs/dbraw/zinc/64/11/91/930641191.db2.gz DZSSXLSVQAQJJW-SFTDATJTSA-N 2 1 366.505 3.658 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000548094434 930660473 /nfs/dbraw/zinc/66/04/73/930660473.db2.gz KNUDZHNXXKYPQQ-UHFFFAOYSA-N 2 1 350.478 3.556 20 0 FHADMP CC(C)(C)OC(=O)NCCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167430048 931006304 /nfs/dbraw/zinc/00/63/04/931006304.db2.gz QURXKWKCQVYTAP-IBGZPJMESA-N 2 1 367.578 3.879 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434449 931142219 /nfs/dbraw/zinc/14/22/19/931142219.db2.gz VUOPYYXOTMNRPI-RZFNWQHOSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434449 931142223 /nfs/dbraw/zinc/14/22/23/931142223.db2.gz VUOPYYXOTMNRPI-RZFNWQHOSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001167434449 931142227 /nfs/dbraw/zinc/14/22/27/931142227.db2.gz VUOPYYXOTMNRPI-RZFNWQHOSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001167434449 931142230 /nfs/dbraw/zinc/14/22/30/931142230.db2.gz VUOPYYXOTMNRPI-RZFNWQHOSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993996 931235472 /nfs/dbraw/zinc/23/54/72/931235472.db2.gz MONGDEBTTKTVFE-DENIHFKCSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312994001 931235628 /nfs/dbraw/zinc/23/56/28/931235628.db2.gz MONGDEBTTKTVFE-SIKLNZKXSA-N 2 1 360.505 3.873 20 0 FHADMP COCCc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000631140549 931407843 /nfs/dbraw/zinc/40/78/43/931407843.db2.gz ONIKTHUDUKFCLN-LJQANCHMSA-N 2 1 373.566 3.724 20 0 FHADMP COCCc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631140549 931407848 /nfs/dbraw/zinc/40/78/48/931407848.db2.gz ONIKTHUDUKFCLN-LJQANCHMSA-N 2 1 373.566 3.724 20 0 FHADMP COc1ccccc1C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCCO1 ZINC000581076382 931541636 /nfs/dbraw/zinc/54/16/36/931541636.db2.gz DWEGOUGJNRTOBL-JOCHJYFZSA-N 2 1 366.505 3.522 20 0 FHADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC000089728037 931657950 /nfs/dbraw/zinc/65/79/50/931657950.db2.gz QVCITSDBXPLZPO-XLIONFOSSA-N 2 1 354.494 3.586 20 0 FHADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC000089728037 931657955 /nfs/dbraw/zinc/65/79/55/931657955.db2.gz QVCITSDBXPLZPO-XLIONFOSSA-N 2 1 354.494 3.586 20 0 FHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000065910476 931884472 /nfs/dbraw/zinc/88/44/72/931884472.db2.gz XUFRWUPSIXZBNI-UHFFFAOYSA-N 2 1 357.542 3.619 20 0 FHADMP COc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548160161 931929856 /nfs/dbraw/zinc/92/98/56/931929856.db2.gz CFZOCMYZGWYPTJ-GCJKJVERSA-N 2 1 354.494 3.574 20 0 FHADMP COc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548160161 931929860 /nfs/dbraw/zinc/92/98/60/931929860.db2.gz CFZOCMYZGWYPTJ-GCJKJVERSA-N 2 1 354.494 3.574 20 0 FHADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001279225505 932136532 /nfs/dbraw/zinc/13/65/32/932136532.db2.gz LXKPVOHJGLZHHI-UHFFFAOYSA-N 2 1 362.880 3.690 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C[C@H](C)O1 ZINC000647170170 932379186 /nfs/dbraw/zinc/37/91/86/932379186.db2.gz OKXBBEVONGWTHD-IYBDPMFKSA-N 2 1 352.469 3.963 20 0 FHADMP CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)CC1CC[NH+](C)CC1 ZINC000891491120 932644277 /nfs/dbraw/zinc/64/42/77/932644277.db2.gz LHMFBYJPBKQMID-UHFFFAOYSA-N 2 1 362.905 3.944 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430658633 932671778 /nfs/dbraw/zinc/67/17/78/932671778.db2.gz YAWMSYSXZIVHCP-IBGZPJMESA-N 2 1 360.505 3.971 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430658633 932671783 /nfs/dbraw/zinc/67/17/83/932671783.db2.gz YAWMSYSXZIVHCP-IBGZPJMESA-N 2 1 360.505 3.971 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000581840378 932718461 /nfs/dbraw/zinc/71/84/61/932718461.db2.gz GPIYAYOTNPANGS-VQIMIIECSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000581840378 932718465 /nfs/dbraw/zinc/71/84/65/932718465.db2.gz GPIYAYOTNPANGS-VQIMIIECSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000581840378 932718466 /nfs/dbraw/zinc/71/84/66/932718466.db2.gz GPIYAYOTNPANGS-VQIMIIECSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccncc2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000581840378 932718469 /nfs/dbraw/zinc/71/84/69/932718469.db2.gz GPIYAYOTNPANGS-VQIMIIECSA-N 2 1 354.523 3.654 20 0 FHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)c2cccs2)CC1 ZINC000548259219 932749526 /nfs/dbraw/zinc/74/95/26/932749526.db2.gz GXOZJZGLVXSFSA-KRWDZBQOSA-N 2 1 367.921 3.619 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CCCCC1 ZINC000430678640 932864973 /nfs/dbraw/zinc/86/49/73/932864973.db2.gz SZHWPHOSOXDAGX-UHFFFAOYSA-N 2 1 363.590 3.612 20 0 FHADMP CC(C)Cn1nccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000647192679 932883732 /nfs/dbraw/zinc/88/37/32/932883732.db2.gz SIBULAXLQZQTNR-RTBURBONSA-N 2 1 354.542 3.785 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000430755734 933208568 /nfs/dbraw/zinc/20/85/68/933208568.db2.gz RNKWNAKPRHKDCW-KDURUIRLSA-N 2 1 362.583 3.741 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000430763252 933217315 /nfs/dbraw/zinc/21/73/15/933217315.db2.gz NMSUGWRFXIXNSZ-DYESRHJHSA-N 2 1 351.494 3.742 20 0 FHADMP CC(C)C[NH+]1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000131194682 933380826 /nfs/dbraw/zinc/38/08/26/933380826.db2.gz NXZDUDXCUBNRNE-UHFFFAOYSA-N 2 1 361.549 3.543 20 0 FHADMP COc1cccc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430914994 933410548 /nfs/dbraw/zinc/41/05/48/933410548.db2.gz BCHLUTDHBIFFJV-IBGZPJMESA-N 2 1 373.585 3.884 20 0 FHADMP COc1cccc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430914994 933410551 /nfs/dbraw/zinc/41/05/51/933410551.db2.gz BCHLUTDHBIFFJV-IBGZPJMESA-N 3 1 373.585 3.884 20 0 FHADMP COc1cccc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430914994 933410555 /nfs/dbraw/zinc/41/05/55/933410555.db2.gz BCHLUTDHBIFFJV-IBGZPJMESA-N 3 1 373.585 3.884 20 0 FHADMP Cc1ccc(OCc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000430932284 933426042 /nfs/dbraw/zinc/42/60/42/933426042.db2.gz DOZVHWLNSKVFGG-UHFFFAOYSA-N 2 1 357.523 3.606 20 0 FHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCc3ccccc3)CC2)CC1 ZINC000430937689 933435849 /nfs/dbraw/zinc/43/58/49/933435849.db2.gz DODXTKBHFXAJDN-UHFFFAOYSA-N 2 1 357.586 3.747 20 0 FHADMP C[N@H+](CCCc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430937689 933435850 /nfs/dbraw/zinc/43/58/50/933435850.db2.gz DODXTKBHFXAJDN-UHFFFAOYSA-N 3 1 357.586 3.747 20 0 FHADMP C[N@@H+](CCCc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430937689 933435854 /nfs/dbraw/zinc/43/58/54/933435854.db2.gz DODXTKBHFXAJDN-UHFFFAOYSA-N 3 1 357.586 3.747 20 0 FHADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000431042173 933739208 /nfs/dbraw/zinc/73/92/08/933739208.db2.gz DGRJQLYVDFLDAI-BAGYTPMASA-N 2 1 371.569 3.666 20 0 FHADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000431075952 933803715 /nfs/dbraw/zinc/80/37/15/933803715.db2.gz IBDPUNGFJBHBTL-HOTGVXAUSA-N 2 1 364.534 3.603 20 0 FHADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000431075952 933803725 /nfs/dbraw/zinc/80/37/25/933803725.db2.gz IBDPUNGFJBHBTL-HOTGVXAUSA-N 2 1 364.534 3.603 20 0 FHADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000431076054 933804218 /nfs/dbraw/zinc/80/42/18/933804218.db2.gz IBDPUNGFJBHBTL-JKSUJKDBSA-N 2 1 364.534 3.603 20 0 FHADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000431076054 933804223 /nfs/dbraw/zinc/80/42/23/933804223.db2.gz IBDPUNGFJBHBTL-JKSUJKDBSA-N 2 1 364.534 3.603 20 0 FHADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccccc1 ZINC000092263461 933981788 /nfs/dbraw/zinc/98/17/88/933981788.db2.gz IZRJZSDUUDLGTJ-LJQANCHMSA-N 2 1 367.541 3.592 20 0 FHADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccccc1 ZINC000092263461 933981794 /nfs/dbraw/zinc/98/17/94/933981794.db2.gz IZRJZSDUUDLGTJ-LJQANCHMSA-N 2 1 367.541 3.592 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485075 934136444 /nfs/dbraw/zinc/13/64/44/934136444.db2.gz RZKUXOKKDVZZHY-HZPDHXFCSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485075 934136449 /nfs/dbraw/zinc/13/64/49/934136449.db2.gz RZKUXOKKDVZZHY-HZPDHXFCSA-N 2 1 353.913 3.640 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380427422 934137797 /nfs/dbraw/zinc/13/77/97/934137797.db2.gz JJERJVOOZQIRIG-LPHOPBHVSA-N 2 1 370.468 3.613 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cscn3)CC2)cs1 ZINC000535779997 934384135 /nfs/dbraw/zinc/38/41/35/934384135.db2.gz OAZQBODROAZSIL-CYBMUJFWSA-N 2 1 350.557 3.725 20 0 FHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090456590 934642765 /nfs/dbraw/zinc/64/27/65/934642765.db2.gz GEEIXEIJCUZLBL-BPLDGKMQSA-N 2 1 355.295 3.736 20 0 FHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)c2cccs2)CC1 ZINC000535898726 934729798 /nfs/dbraw/zinc/72/97/98/934729798.db2.gz FIGXRDJRFBEHRQ-QGZVFWFLSA-N 2 1 367.921 3.619 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000511017285 934908895 /nfs/dbraw/zinc/90/88/95/934908895.db2.gz YPVMQPSTWCSRIB-IBGZPJMESA-N 2 1 365.512 3.606 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000511017285 934908902 /nfs/dbraw/zinc/90/89/02/934908902.db2.gz YPVMQPSTWCSRIB-IBGZPJMESA-N 2 1 365.512 3.606 20 0 FHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963958 934987319 /nfs/dbraw/zinc/98/73/19/934987319.db2.gz WJFVNASEVVZBRU-AVRDEDQJSA-N 2 1 365.521 3.543 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657309740 935081958 /nfs/dbraw/zinc/08/19/58/935081958.db2.gz GCSRXTCTBDGRPU-QGZVFWFLSA-N 2 1 353.514 3.667 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657309740 935081966 /nfs/dbraw/zinc/08/19/66/935081966.db2.gz GCSRXTCTBDGRPU-QGZVFWFLSA-N 2 1 353.514 3.667 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccnn1CC1CC1 ZINC000657311569 935119420 /nfs/dbraw/zinc/11/94/20/935119420.db2.gz NSVLYBLYMWGDJT-GOSISDBHSA-N 2 1 352.526 3.957 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657311569 935119423 /nfs/dbraw/zinc/11/94/23/935119423.db2.gz NSVLYBLYMWGDJT-GOSISDBHSA-N 2 1 352.526 3.957 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657311569 935119427 /nfs/dbraw/zinc/11/94/27/935119427.db2.gz NSVLYBLYMWGDJT-GOSISDBHSA-N 2 1 352.526 3.957 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000157849206 935211709 /nfs/dbraw/zinc/21/17/09/935211709.db2.gz ITJSYMJLOSVNNC-JKSUJKDBSA-N 2 1 366.937 3.696 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000157907023 935220575 /nfs/dbraw/zinc/22/05/75/935220575.db2.gz CCSVVJCFNBDQBX-ROUUACIJSA-N 2 1 359.514 3.806 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000657328638 935231288 /nfs/dbraw/zinc/23/12/88/935231288.db2.gz CCYVVPOSJPQFRF-LJQANCHMSA-N 2 1 368.521 3.904 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000657328638 935231292 /nfs/dbraw/zinc/23/12/92/935231292.db2.gz CCYVVPOSJPQFRF-LJQANCHMSA-N 2 1 368.521 3.904 20 0 FHADMP CN(c1ccccc1C[N@@H+](C)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000506385158 945086146 /nfs/dbraw/zinc/08/61/46/945086146.db2.gz YRTHBOBHMRCQIU-UHFFFAOYSA-N 2 1 351.538 3.892 20 0 FHADMP Cn1ncc(C2CCC2)c1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335646 935259644 /nfs/dbraw/zinc/25/96/44/935259644.db2.gz RBTMTXOTTRMORA-IBGZPJMESA-N 2 1 352.526 3.689 20 0 FHADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335646 935259654 /nfs/dbraw/zinc/25/96/54/935259654.db2.gz RBTMTXOTTRMORA-IBGZPJMESA-N 2 1 352.526 3.689 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657348383 935313563 /nfs/dbraw/zinc/31/35/63/935313563.db2.gz UGNIHBYSDBKPJJ-JOCHJYFZSA-N 2 1 354.494 3.596 20 0 FHADMP Cc1c(F)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC001140554874 935318738 /nfs/dbraw/zinc/31/87/38/935318738.db2.gz MHWJOBKYRAGHFG-UHFFFAOYSA-N 2 1 355.295 3.814 20 0 FHADMP Cc1ncsc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000657363991 935379276 /nfs/dbraw/zinc/37/92/76/935379276.db2.gz GVVJIXRSLCCOSX-GOSISDBHSA-N 2 1 371.550 3.709 20 0 FHADMP C[C@H](CN1CCC(C)CC1)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192984 935391434 /nfs/dbraw/zinc/39/14/34/935391434.db2.gz ZYWBKRMJVGMUOT-CTNGQTDRSA-N 2 1 371.569 3.685 20 0 FHADMP CC[C@](O)(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558324 935451508 /nfs/dbraw/zinc/45/15/08/935451508.db2.gz LVOULVZJHULQJG-OALUTQOASA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@](O)(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558324 935451510 /nfs/dbraw/zinc/45/15/10/935451510.db2.gz LVOULVZJHULQJG-OALUTQOASA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@](O)(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558324 935451514 /nfs/dbraw/zinc/45/15/14/935451514.db2.gz LVOULVZJHULQJG-OALUTQOASA-N 2 1 370.459 3.678 20 0 FHADMP CC[C@](O)(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC001167558324 935451518 /nfs/dbraw/zinc/45/15/18/935451518.db2.gz LVOULVZJHULQJG-OALUTQOASA-N 2 1 370.459 3.678 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1)c1ccccc1Cl ZINC000427120239 945104979 /nfs/dbraw/zinc/10/49/79/945104979.db2.gz AUHKHWUSEGKKAU-OXQOHEQNSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1)c1ccccc1Cl ZINC000427120239 945104983 /nfs/dbraw/zinc/10/49/83/945104983.db2.gz AUHKHWUSEGKKAU-OXQOHEQNSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122648 945108788 /nfs/dbraw/zinc/10/87/88/945108788.db2.gz DJOAVTHMMNDZGR-YLJYHZDGSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1)c1ccc(Cl)cc1 ZINC000427122648 945108793 /nfs/dbraw/zinc/10/87/93/945108793.db2.gz DJOAVTHMMNDZGR-YLJYHZDGSA-N 2 1 369.896 3.776 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000657413624 935628372 /nfs/dbraw/zinc/62/83/72/935628372.db2.gz OJMCRGINXBYUHA-OAHLLOKOSA-N 2 1 354.336 3.610 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000657413624 935628376 /nfs/dbraw/zinc/62/83/76/935628376.db2.gz OJMCRGINXBYUHA-OAHLLOKOSA-N 2 1 354.336 3.610 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963991 945113635 /nfs/dbraw/zinc/11/36/35/945113635.db2.gz WCLNZGOHDFSLPG-SBHAEUEKSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000439963991 945113644 /nfs/dbraw/zinc/11/36/44/945113644.db2.gz WCLNZGOHDFSLPG-SBHAEUEKSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000439963991 945113649 /nfs/dbraw/zinc/11/36/49/945113649.db2.gz WCLNZGOHDFSLPG-SBHAEUEKSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415629 935640224 /nfs/dbraw/zinc/64/02/24/935640224.db2.gz NEHVJALQWJXMDB-HKUYNNGSSA-N 2 1 352.526 3.688 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000511121552 935691956 /nfs/dbraw/zinc/69/19/56/935691956.db2.gz KVYMIBLHDADINE-UHFFFAOYSA-N 2 1 360.933 3.751 20 0 FHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC000582565734 935834137 /nfs/dbraw/zinc/83/41/37/935834137.db2.gz QATDAXGPPAJRKA-UHFFFAOYSA-N 2 1 362.514 3.599 20 0 FHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C)c1OCc1ccccn1 ZINC000262130554 935868685 /nfs/dbraw/zinc/86/86/85/935868685.db2.gz YDAJXBSZRNRBKL-UHFFFAOYSA-N 2 1 365.521 3.853 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1)C1CC1 ZINC000511174202 935886215 /nfs/dbraw/zinc/88/62/15/935886215.db2.gz WQEXNAAQYMNQRF-UHFFFAOYSA-N 2 1 365.521 3.663 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4cccnc43)CC2)cs1 ZINC000684955686 935901574 /nfs/dbraw/zinc/90/15/74/935901574.db2.gz SRGSHVLZUBQNBH-LJQANCHMSA-N 2 1 370.566 3.980 20 0 FHADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+]([C@H](C)c4ccccc4)CC3)cc12 ZINC000116368385 935928220 /nfs/dbraw/zinc/92/82/20/935928220.db2.gz UEQOZGAKSSBSTG-QGZVFWFLSA-N 2 1 363.509 3.592 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000075007915 936002979 /nfs/dbraw/zinc/00/29/79/936002979.db2.gz WGPLDTLKAHCYJT-UHFFFAOYSA-N 2 1 363.527 3.726 20 0 FHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000414960658 945140562 /nfs/dbraw/zinc/14/05/62/945140562.db2.gz YFOHAGHDDLVDBJ-APWZRJJASA-N 2 1 370.493 3.513 20 0 FHADMP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657597242 936072947 /nfs/dbraw/zinc/07/29/47/936072947.db2.gz REFVSQMHVUHFIF-FQEVSTJZSA-N 2 1 358.913 3.813 20 0 FHADMP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657597016 936073261 /nfs/dbraw/zinc/07/32/61/936073261.db2.gz QQRZXRRDWBUIRX-IBGZPJMESA-N 2 1 358.913 3.759 20 0 FHADMP C[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594927 936075723 /nfs/dbraw/zinc/07/57/23/936075723.db2.gz FJMKGPVMBUDJMZ-KKSFZXQISA-N 2 1 358.913 3.800 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)C1 ZINC000657594958 936075848 /nfs/dbraw/zinc/07/58/48/936075848.db2.gz LRRYTXSEDQAPFB-OAQYLSRUSA-N 2 1 362.473 3.803 20 0 FHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000507359309 945152885 /nfs/dbraw/zinc/15/28/85/945152885.db2.gz MLGYHWUJLVLDQQ-UHFFFAOYSA-N 2 1 353.510 3.965 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000507359309 945152889 /nfs/dbraw/zinc/15/28/89/945152889.db2.gz MLGYHWUJLVLDQQ-UHFFFAOYSA-N 2 1 353.510 3.965 20 0 FHADMP Cc1cc(C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)n1CCc1cccs1 ZINC000583440969 938254978 /nfs/dbraw/zinc/25/49/78/938254978.db2.gz GRSSQPZNXJDQDM-MRXNPFEDSA-N 2 1 373.566 3.651 20 0 FHADMP COc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2c1 ZINC000650705421 938283182 /nfs/dbraw/zinc/28/31/82/938283182.db2.gz GLZKCLOJYFWJCH-VWPQPMDRSA-N 2 1 354.494 3.567 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706125 938285297 /nfs/dbraw/zinc/28/52/97/938285297.db2.gz DRCFECWOAAZQDI-VMGRFDJRSA-N 2 1 374.859 3.660 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707974 938287838 /nfs/dbraw/zinc/28/78/38/938287838.db2.gz RAORBGYOMHNWHY-KBRIMQKVSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708150 938288005 /nfs/dbraw/zinc/28/80/05/938288005.db2.gz UJUIIMUFPDVXQZ-IIAWOOMASA-N 2 1 363.552 3.590 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000128078626 938296950 /nfs/dbraw/zinc/29/69/50/938296950.db2.gz CCRXDAVTPKCNMK-FUHWJXTLSA-N 2 1 358.461 3.539 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000128078626 938296951 /nfs/dbraw/zinc/29/69/51/938296951.db2.gz CCRXDAVTPKCNMK-FUHWJXTLSA-N 2 1 358.461 3.539 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000128078626 938296953 /nfs/dbraw/zinc/29/69/53/938296953.db2.gz CCRXDAVTPKCNMK-FUHWJXTLSA-N 2 1 358.461 3.539 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OCc1cccnc1 ZINC000650711850 938297949 /nfs/dbraw/zinc/29/79/49/938297949.db2.gz GHKCJMYNGSXQRI-YLJYHZDGSA-N 2 1 369.509 3.619 20 0 FHADMP Cc1ccc2c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)oc2c1C ZINC000728571358 938306463 /nfs/dbraw/zinc/30/64/63/938306463.db2.gz CBSWPIPADTWDHN-UHFFFAOYSA-N 2 1 356.510 3.962 20 0 FHADMP CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657772394 938308671 /nfs/dbraw/zinc/30/86/71/938308671.db2.gz MSGHKXXILAMCTM-OAQYLSRUSA-N 2 1 352.526 3.685 20 0 FHADMP COc1cc(C)nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657772242 938308828 /nfs/dbraw/zinc/30/88/28/938308828.db2.gz KUQAVIPLOCPFOX-HXUWFJFHSA-N 2 1 365.521 3.791 20 0 FHADMP COc1cc(C)nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000657772242 938308829 /nfs/dbraw/zinc/30/88/29/938308829.db2.gz KUQAVIPLOCPFOX-HXUWFJFHSA-N 2 1 365.521 3.791 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000650722931 938310128 /nfs/dbraw/zinc/31/01/28/938310128.db2.gz DULYLCWFXYXXQB-IKGGRYGDSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3cccs3)s2)C1 ZINC000650723905 938311088 /nfs/dbraw/zinc/31/10/88/938311088.db2.gz VSXDZPHHMQAOQU-KBMXLJTQSA-N 2 1 363.552 3.732 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723965 938311195 /nfs/dbraw/zinc/31/11/95/938311195.db2.gz WFFXXRHAJFEJIP-PVAVHDDUSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723965 938311196 /nfs/dbraw/zinc/31/11/96/938311196.db2.gz WFFXXRHAJFEJIP-PVAVHDDUSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724142 938311273 /nfs/dbraw/zinc/31/12/73/938311273.db2.gz YQYHBMWSHHCHNZ-QRVBRYPASA-N 2 1 359.901 3.749 20 0 FHADMP c1ccc(C[NH+]2C[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317608 /nfs/dbraw/zinc/31/76/08/938317608.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317610 /nfs/dbraw/zinc/31/76/10/938317610.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317614 /nfs/dbraw/zinc/31/76/14/938317614.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 2 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317616 /nfs/dbraw/zinc/31/76/16/938317616.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[NH+]2C[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317619 /nfs/dbraw/zinc/31/76/19/938317619.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317621 /nfs/dbraw/zinc/31/76/21/938317621.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 3 1 353.554 3.505 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317622 /nfs/dbraw/zinc/31/76/22/938317622.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 3 1 353.554 3.505 20 0 FHADMP Cn1nc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773902 938319282 /nfs/dbraw/zinc/31/92/82/938319282.db2.gz VTLUXBKEDPPFEZ-HXUWFJFHSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773902 938319283 /nfs/dbraw/zinc/31/92/83/938319283.db2.gz VTLUXBKEDPPFEZ-HXUWFJFHSA-N 2 1 374.532 3.965 20 0 FHADMP Cn1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773902 938319286 /nfs/dbraw/zinc/31/92/86/938319286.db2.gz VTLUXBKEDPPFEZ-HXUWFJFHSA-N 2 1 374.532 3.965 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000583624315 938323938 /nfs/dbraw/zinc/32/39/38/938323938.db2.gz GAORQRBKURXGNI-IBGZPJMESA-N 2 1 369.513 3.613 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000583624315 938323942 /nfs/dbraw/zinc/32/39/42/938323942.db2.gz GAORQRBKURXGNI-IBGZPJMESA-N 2 1 369.513 3.613 20 0 FHADMP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC(F)(F)CC1 ZINC000657778788 938348505 /nfs/dbraw/zinc/34/85/05/938348505.db2.gz VKXLGUPZPKIHPP-GOSISDBHSA-N 2 1 364.480 3.714 20 0 FHADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC(F)(F)CC1 ZINC000657778788 938348508 /nfs/dbraw/zinc/34/85/08/938348508.db2.gz VKXLGUPZPKIHPP-GOSISDBHSA-N 2 1 364.480 3.714 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC000151165798 938438510 /nfs/dbraw/zinc/43/85/10/938438510.db2.gz KIUGNOIXLLMIFZ-KPRXVCGWSA-N 2 1 367.537 3.673 20 0 FHADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000151165798 938438511 /nfs/dbraw/zinc/43/85/11/938438511.db2.gz KIUGNOIXLLMIFZ-KPRXVCGWSA-N 2 1 367.537 3.673 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000583985618 938519222 /nfs/dbraw/zinc/51/92/22/938519222.db2.gz ILXGKWQRDBTMEK-PCCBWWKXSA-N 2 1 351.494 3.623 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000583985619 938519307 /nfs/dbraw/zinc/51/93/07/938519307.db2.gz ILXGKWQRDBTMEK-QHAWAJNXSA-N 2 1 351.494 3.623 20 0 FHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657819333 938552675 /nfs/dbraw/zinc/55/26/75/938552675.db2.gz VTQURPFXUOQVHB-DOTOQJQBSA-N 2 1 370.522 3.529 20 0 FHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1SC ZINC000133060526 938557315 /nfs/dbraw/zinc/55/73/15/938557315.db2.gz XFJLUJZKCJYWMZ-HZPDHXFCSA-N 2 1 364.555 3.569 20 0 FHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1SC ZINC000133059962 938557334 /nfs/dbraw/zinc/55/73/34/938557334.db2.gz XFJLUJZKCJYWMZ-HOTGVXAUSA-N 2 1 364.555 3.569 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C(F)F)nc1 ZINC000657823096 938573415 /nfs/dbraw/zinc/57/34/15/938573415.db2.gz INEQVANYTIGXTE-HNNXBMFYSA-N 2 1 361.436 3.702 20 0 FHADMP Cc1csc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279657736 938637991 /nfs/dbraw/zinc/63/79/91/938637991.db2.gz LIHKZYAIUVNXIP-SFHVURJKSA-N 2 1 355.979 3.559 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000584255830 938661272 /nfs/dbraw/zinc/66/12/72/938661272.db2.gz YUBLXUZRMPCKLY-AUUYWEPGSA-N 2 1 351.425 3.974 20 0 FHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000584289839 938672276 /nfs/dbraw/zinc/67/22/76/938672276.db2.gz LUVMRGSWTAOCLH-UYAOXDASSA-N 2 1 365.521 3.691 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000584290752 938673057 /nfs/dbraw/zinc/67/30/57/938673057.db2.gz CXPYGRCVUXOEPG-FQEVSTJZSA-N 2 1 364.489 3.745 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000584290752 938673059 /nfs/dbraw/zinc/67/30/59/938673059.db2.gz CXPYGRCVUXOEPG-FQEVSTJZSA-N 2 1 364.489 3.745 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657847280 938715434 /nfs/dbraw/zinc/71/54/34/938715434.db2.gz TXVGHMVVNWPUDN-QUCCMNQESA-N 2 1 350.934 3.803 20 0 FHADMP FC(F)(F)c1ccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000089602883 938860727 /nfs/dbraw/zinc/86/07/27/938860727.db2.gz KZTVLJIYNILPTF-OAHLLOKOSA-N 2 1 365.399 3.919 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408862 938873003 /nfs/dbraw/zinc/87/30/03/938873003.db2.gz NINXDVGHBJOXOQ-WMZOPIPTSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408862 938873007 /nfs/dbraw/zinc/87/30/07/938873007.db2.gz NINXDVGHBJOXOQ-WMZOPIPTSA-N 2 1 359.901 3.757 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000090656092 938881693 /nfs/dbraw/zinc/88/16/93/938881693.db2.gz HYKKSVYFPYQXDP-BZRIBIQUSA-N 2 1 352.522 3.621 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000090656092 938881696 /nfs/dbraw/zinc/88/16/96/938881696.db2.gz HYKKSVYFPYQXDP-BZRIBIQUSA-N 2 1 352.522 3.621 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000090844760 938883520 /nfs/dbraw/zinc/88/35/20/938883520.db2.gz NCKWSDSZOLSPKZ-JTSKRJEESA-N 2 1 368.496 3.987 20 0 FHADMP CC(C)CN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000518212101 945212580 /nfs/dbraw/zinc/21/25/80/945212580.db2.gz MFZNRFFGTIPCKZ-LJQANCHMSA-N 2 1 365.949 3.522 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091306486 938899514 /nfs/dbraw/zinc/89/95/14/938899514.db2.gz PZIBVYCOKNOIIK-GOSISDBHSA-N 2 1 356.432 3.593 20 0 FHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770110 938930170 /nfs/dbraw/zinc/93/01/70/938930170.db2.gz SESHQNDERYQJRN-LJQANCHMSA-N 2 1 374.960 3.975 20 0 FHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770110 938930171 /nfs/dbraw/zinc/93/01/71/938930171.db2.gz SESHQNDERYQJRN-LJQANCHMSA-N 2 1 374.960 3.975 20 0 FHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770110 938930172 /nfs/dbraw/zinc/93/01/72/938930172.db2.gz SESHQNDERYQJRN-LJQANCHMSA-N 2 1 374.960 3.975 20 0 FHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000093770110 938930174 /nfs/dbraw/zinc/93/01/74/938930174.db2.gz SESHQNDERYQJRN-LJQANCHMSA-N 2 1 374.960 3.975 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000657887803 938977829 /nfs/dbraw/zinc/97/78/29/938977829.db2.gz KADFUKHMSIHOEJ-WSTZPKSXSA-N 2 1 366.571 3.552 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000657887803 938977830 /nfs/dbraw/zinc/97/78/30/938977830.db2.gz KADFUKHMSIHOEJ-WSTZPKSXSA-N 2 1 366.571 3.552 20 0 FHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000431571141 938978070 /nfs/dbraw/zinc/97/80/70/938978070.db2.gz OKQBZROGDIUFSG-HXUWFJFHSA-N 2 1 363.590 3.515 20 0 FHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000431571137 938978126 /nfs/dbraw/zinc/97/81/26/938978126.db2.gz OKQBZROGDIUFSG-FQEVSTJZSA-N 2 1 363.590 3.515 20 0 FHADMP c1cc([C@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000685438180 938987145 /nfs/dbraw/zinc/98/71/45/938987145.db2.gz YLKSZWGASQSMLA-OAQYLSRUSA-N 2 1 354.498 3.612 20 0 FHADMP c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000685438180 938987146 /nfs/dbraw/zinc/98/71/46/938987146.db2.gz YLKSZWGASQSMLA-OAQYLSRUSA-N 2 1 354.498 3.612 20 0 FHADMP c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000685452298 938987571 /nfs/dbraw/zinc/98/75/71/938987571.db2.gz CUNGFVSYUAKFOT-QFIPXVFZSA-N 2 1 351.494 3.893 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(-c2ccccc2)n1 ZINC000685456043 938987758 /nfs/dbraw/zinc/98/77/58/938987758.db2.gz NNBZRDNVGBHFMN-FQEVSTJZSA-N 2 1 372.582 3.658 20 0 FHADMP C[N@H+](Cc1ccccc1OC1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457685 938987900 /nfs/dbraw/zinc/98/79/00/938987900.db2.gz JMZAWCAVMDULTD-NRFANRHFSA-N 2 1 371.569 3.608 20 0 FHADMP C[N@@H+](Cc1ccccc1OC1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457685 938987901 /nfs/dbraw/zinc/98/79/01/938987901.db2.gz JMZAWCAVMDULTD-NRFANRHFSA-N 2 1 371.569 3.608 20 0 FHADMP Cc1cccc2nc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC000647363666 938993256 /nfs/dbraw/zinc/99/32/56/938993256.db2.gz GNPFMWFIDXZOLE-NUNAXRQHSA-N 2 1 374.532 3.970 20 0 FHADMP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657982043 939016000 /nfs/dbraw/zinc/01/60/00/939016000.db2.gz LHNKYZFRDSJAEB-QGZVFWFLSA-N 2 1 350.304 3.582 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102618 939026468 /nfs/dbraw/zinc/02/64/68/939026468.db2.gz ZJWAGSMNJZWUDE-DENIHFKCSA-N 2 1 364.537 3.682 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N1CCCC1 ZINC000658102618 939026471 /nfs/dbraw/zinc/02/64/71/939026471.db2.gz ZJWAGSMNJZWUDE-DENIHFKCSA-N 2 1 364.537 3.682 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136737 939031056 /nfs/dbraw/zinc/03/10/56/939031056.db2.gz FAHCWEMKQMNHMM-UNMCSNQZSA-N 2 1 353.510 3.525 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@H](C)C1 ZINC000658126667 939033797 /nfs/dbraw/zinc/03/37/97/939033797.db2.gz HCSFSNWGRNMSFO-NQIIRXRSSA-N 2 1 355.526 3.504 20 0 FHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140204 939034943 /nfs/dbraw/zinc/03/49/43/939034943.db2.gz UHBZCJHLRFMARM-YADHBBJMSA-N 2 1 350.506 3.647 20 0 FHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143563 939036513 /nfs/dbraw/zinc/03/65/13/939036513.db2.gz ZIHJFUMDWVEVHB-HNAYVOBHSA-N 2 1 374.912 3.766 20 0 FHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143488 939036695 /nfs/dbraw/zinc/03/66/95/939036695.db2.gz YYLWTVSPXYRHBA-HFXUHXBXSA-N 2 1 368.496 3.806 20 0 FHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CCC2)o1 ZINC000658140919 939043377 /nfs/dbraw/zinc/04/33/77/939043377.db2.gz VXVGJQVPUIXKTH-IRLDBZIGSA-N 2 1 354.494 3.786 20 0 FHADMP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319494 939111499 /nfs/dbraw/zinc/11/14/99/939111499.db2.gz CVDXVOUTZVUXHF-ICSRJNTNSA-N 2 1 350.510 3.738 20 0 FHADMP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319494 939111502 /nfs/dbraw/zinc/11/15/02/939111502.db2.gz CVDXVOUTZVUXHF-ICSRJNTNSA-N 2 1 350.510 3.738 20 0 FHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421826536 939123052 /nfs/dbraw/zinc/12/30/52/939123052.db2.gz SWJTYHMVWLRXGD-GGAORHGYSA-N 2 1 367.537 3.628 20 0 FHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421826536 939123055 /nfs/dbraw/zinc/12/30/55/939123055.db2.gz SWJTYHMVWLRXGD-GGAORHGYSA-N 2 1 367.537 3.628 20 0 FHADMP C[C@H](O)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000658356748 939125292 /nfs/dbraw/zinc/12/52/92/939125292.db2.gz LUSWUWTZQSLDTM-SFYKDHMMSA-N 2 1 352.522 3.794 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364228 939126724 /nfs/dbraw/zinc/12/67/24/939126724.db2.gz YLNSXSJZTXCOHL-MEFBHEEYSA-N 2 1 350.506 3.894 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000658364228 939126725 /nfs/dbraw/zinc/12/67/25/939126725.db2.gz YLNSXSJZTXCOHL-MEFBHEEYSA-N 2 1 350.506 3.894 20 0 FHADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366513 939133716 /nfs/dbraw/zinc/13/37/16/939133716.db2.gz RNDRSPWZRHFIQR-JTHBVZDNSA-N 2 1 365.521 3.817 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000179426309 939161528 /nfs/dbraw/zinc/16/15/28/939161528.db2.gz PQOXMNSJJXQMSG-INIZCTEOSA-N 2 1 364.534 3.597 20 0 FHADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472372466 939173614 /nfs/dbraw/zinc/17/36/14/939173614.db2.gz XPHJXNIVPPSAFH-WOJBJXKFSA-N 2 1 354.494 3.573 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177220445 940032008 /nfs/dbraw/zinc/03/20/08/940032008.db2.gz WDJMKIHEFGJUDA-KRWDZBQOSA-N 2 1 353.551 3.630 20 0 FHADMP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472445470 940168005 /nfs/dbraw/zinc/16/80/05/940168005.db2.gz FMTQSRZNJSUIJW-SFHLNBCPSA-N 2 1 374.573 3.584 20 0 FHADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799796 940183216 /nfs/dbraw/zinc/18/32/16/940183216.db2.gz RCGOTVVQQSCIJM-DDBAPUKQSA-N 2 1 356.432 3.739 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647497777 940377393 /nfs/dbraw/zinc/37/73/93/940377393.db2.gz VDSWRQPHDIVFOJ-JXFKEZNVSA-N 2 1 370.541 3.873 20 0 FHADMP CCc1nc([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000376177675 940424037 /nfs/dbraw/zinc/42/40/37/940424037.db2.gz JZEDFKUJUDFGBJ-GOSISDBHSA-N 2 1 370.541 3.534 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000431734567 940438736 /nfs/dbraw/zinc/43/87/36/940438736.db2.gz WSRUBZRXPHHOPP-SIKLNZKXSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000431734567 940438738 /nfs/dbraw/zinc/43/87/38/940438738.db2.gz WSRUBZRXPHHOPP-SIKLNZKXSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000431734567 940438740 /nfs/dbraw/zinc/43/87/40/940438740.db2.gz WSRUBZRXPHHOPP-SIKLNZKXSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057395 940465660 /nfs/dbraw/zinc/46/56/60/940465660.db2.gz FQZZSUDNEOFRLQ-ROUUACIJSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057395 940465662 /nfs/dbraw/zinc/46/56/62/940465662.db2.gz FQZZSUDNEOFRLQ-ROUUACIJSA-N 2 1 352.526 3.912 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000414078065 940483603 /nfs/dbraw/zinc/48/36/03/940483603.db2.gz RTMANZQYTLHPIG-SFHVURJKSA-N 2 1 353.510 3.584 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414091111 940496268 /nfs/dbraw/zinc/49/62/68/940496268.db2.gz DLMKLYFFYZKQCB-LQWHRVPQSA-N 2 1 353.510 3.521 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414091111 940496270 /nfs/dbraw/zinc/49/62/70/940496270.db2.gz DLMKLYFFYZKQCB-LQWHRVPQSA-N 2 1 353.510 3.521 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nc2c(s1)CCC2 ZINC000414159291 940689323 /nfs/dbraw/zinc/68/93/23/940689323.db2.gz VZEZNQXZGZQVSK-LSDHHAIUSA-N 2 1 359.539 3.984 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000414174121 940711290 /nfs/dbraw/zinc/71/12/90/940711290.db2.gz GLLBSXWXKJGXMA-NQSCKRDGSA-N 2 1 350.506 3.663 20 0 FHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000414174121 940711298 /nfs/dbraw/zinc/71/12/98/940711298.db2.gz GLLBSXWXKJGXMA-NQSCKRDGSA-N 2 1 350.506 3.663 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000613491060 940769195 /nfs/dbraw/zinc/76/91/95/940769195.db2.gz DCJXDJCVCZKUCH-IBGZPJMESA-N 2 1 368.949 3.524 20 0 FHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000414274299 940873103 /nfs/dbraw/zinc/87/31/03/940873103.db2.gz UPEWZNOUVBMDBH-CZTZKLFOSA-N 2 1 353.510 3.578 20 0 FHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000414274299 940873105 /nfs/dbraw/zinc/87/31/05/940873105.db2.gz UPEWZNOUVBMDBH-CZTZKLFOSA-N 2 1 353.510 3.578 20 0 FHADMP CCc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000414276580 940879866 /nfs/dbraw/zinc/87/98/66/940879866.db2.gz AKQZNSLIHIGXLT-HDICACEKSA-N 2 1 352.526 3.807 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892607150 940936139 /nfs/dbraw/zinc/93/61/39/940936139.db2.gz HHVRMOUJDYKDKL-KBPBESRZSA-N 2 1 351.516 3.812 20 0 FHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892607150 940936142 /nfs/dbraw/zinc/93/61/42/940936142.db2.gz HHVRMOUJDYKDKL-KBPBESRZSA-N 2 1 351.516 3.812 20 0 FHADMP Cc1[nH+]ccn1CCCCN1CCc2c(Br)ccc(F)c2C1 ZINC000186205258 940959977 /nfs/dbraw/zinc/95/99/77/940959977.db2.gz VYTYVEZFEWGQDB-UHFFFAOYSA-N 2 1 366.278 3.932 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665144 945368005 /nfs/dbraw/zinc/36/80/05/945368005.db2.gz UXEDPMQVJCJMBQ-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665144 945368015 /nfs/dbraw/zinc/36/80/15/945368015.db2.gz UXEDPMQVJCJMBQ-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665144 945368028 /nfs/dbraw/zinc/36/80/28/945368028.db2.gz UXEDPMQVJCJMBQ-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665144 945368040 /nfs/dbraw/zinc/36/80/40/945368040.db2.gz UXEDPMQVJCJMBQ-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665144 945368051 /nfs/dbraw/zinc/36/80/51/945368051.db2.gz UXEDPMQVJCJMBQ-JOCHJYFZSA-N 2 1 351.494 3.578 20 0 FHADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000660664748 945368818 /nfs/dbraw/zinc/36/88/18/945368818.db2.gz SJMLJFVZJDIXNU-JOCHJYFZSA-N 2 1 372.553 3.800 20 0 FHADMP CCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000414362525 941049676 /nfs/dbraw/zinc/04/96/76/941049676.db2.gz VSMACPKGYBLKHC-UHFFFAOYSA-N 2 1 350.466 3.554 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(SC)cc1OC ZINC000647543933 941065880 /nfs/dbraw/zinc/06/58/80/941065880.db2.gz UPGCKVODZRMQFY-CVEARBPZSA-N 2 1 364.555 3.637 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423185626 941067099 /nfs/dbraw/zinc/06/70/99/941067099.db2.gz JURGDNLEYAMTEY-LJQANCHMSA-N 2 1 374.326 3.991 20 0 FHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000685926512 941080841 /nfs/dbraw/zinc/08/08/41/941080841.db2.gz DDOQUMZEUHBCSE-RBUKOAKNSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000685926512 941080843 /nfs/dbraw/zinc/08/08/43/941080843.db2.gz DDOQUMZEUHBCSE-RBUKOAKNSA-N 2 1 374.573 3.589 20 0 FHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000685926512 941080845 /nfs/dbraw/zinc/08/08/45/941080845.db2.gz DDOQUMZEUHBCSE-RBUKOAKNSA-N 2 1 374.573 3.589 20 0 FHADMP c1c[nH]c([C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000376495229 941083471 /nfs/dbraw/zinc/08/34/71/941083471.db2.gz MAQQYJWHBFOBBF-QZTJIDSGSA-N 2 1 356.518 3.667 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892669396 941120826 /nfs/dbraw/zinc/12/08/26/941120826.db2.gz GUGNVVGRQKLRNG-VQIMIIECSA-N 2 1 370.459 3.567 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892669393 941120863 /nfs/dbraw/zinc/12/08/63/941120863.db2.gz GUGNVVGRQKLRNG-APWZRJJASA-N 2 1 370.459 3.567 20 0 FHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000177482612 941128809 /nfs/dbraw/zinc/12/88/09/941128809.db2.gz GZJURFATXHWSBP-CALCHBBNSA-N 2 1 357.498 3.539 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(Cc3ccccc3C)o2)CC1 ZINC000472652422 941483836 /nfs/dbraw/zinc/48/38/36/941483836.db2.gz IUWXSZYRFKVJQA-UHFFFAOYSA-N 2 1 356.514 3.523 20 0 FHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c2cc(N)ccc2O1 ZINC000415032912 941556912 /nfs/dbraw/zinc/55/69/12/941556912.db2.gz JJYHROQTYUPGLM-HOJAQTOUSA-N 2 1 351.494 3.954 20 0 FHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041644 941561429 /nfs/dbraw/zinc/56/14/29/941561429.db2.gz LNLBRTAGGFJQQY-HZPDHXFCSA-N 2 1 372.431 3.600 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044102 941562920 /nfs/dbraw/zinc/56/29/20/941562920.db2.gz AHDJZFGWXBHOLL-UHFFFAOYSA-N 2 1 367.512 3.799 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@@H](c2ccccc2)C1 ZINC000415044663 941568911 /nfs/dbraw/zinc/56/89/11/941568911.db2.gz AVDNGDJVAABZFA-CUQIRISMSA-N 2 1 355.570 3.765 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056574 941576076 /nfs/dbraw/zinc/57/60/76/941576076.db2.gz SKNQGOMKDQCUDS-PZJWPPBQSA-N 2 1 350.510 3.814 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000415069167 941584802 /nfs/dbraw/zinc/58/48/02/941584802.db2.gz OEZPQLYULDBCGU-HNNXBMFYSA-N 2 1 370.522 3.899 20 0 FHADMP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415077983 941587792 /nfs/dbraw/zinc/58/77/92/941587792.db2.gz GASSIEXSQAVXSD-AFXVXQJMSA-N 2 1 371.569 3.733 20 0 FHADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415080459 941591645 /nfs/dbraw/zinc/59/16/45/941591645.db2.gz JKTKSZJPJROVQC-QHAWAJNXSA-N 2 1 367.493 3.893 20 0 FHADMP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415083460 941593001 /nfs/dbraw/zinc/59/30/01/941593001.db2.gz FNRGSNRDRACQBX-DVWBAYGPSA-N 2 1 358.432 3.878 20 0 FHADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415086719 941596677 /nfs/dbraw/zinc/59/66/77/941596677.db2.gz KBLUZKJVDOSVGF-GOSISDBHSA-N 2 1 355.482 3.894 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124649 941620587 /nfs/dbraw/zinc/62/05/87/941620587.db2.gz MWBNYYSLZWGMBR-NVXWUHKLSA-N 2 1 373.324 3.720 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415128638 941623230 /nfs/dbraw/zinc/62/32/30/941623230.db2.gz SQEFUCSSVQVTFK-YOEHRIQHSA-N 2 1 373.324 3.720 20 0 FHADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130419 941623498 /nfs/dbraw/zinc/62/34/98/941623498.db2.gz RAPGVMNTTZTUGC-XLIONFOSSA-N 2 1 354.494 3.691 20 0 FHADMP CC(C)(C)c1ncc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415133338 941625250 /nfs/dbraw/zinc/62/52/50/941625250.db2.gz NAJFVWYSORAZJB-UHFFFAOYSA-N 2 1 372.582 3.524 20 0 FHADMP Cc1cn2cc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)ccc2n1 ZINC000472751389 941679674 /nfs/dbraw/zinc/67/96/74/941679674.db2.gz NSAJQKPMIKUWJJ-KRWDZBQOSA-N 2 1 365.481 3.675 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000311945569 941697525 /nfs/dbraw/zinc/69/75/25/941697525.db2.gz IPWKJFGDSAOPCD-FUHWJXTLSA-N 2 1 364.534 3.739 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CCN(Cn2ccc(C(F)(F)F)n2)CC1 ZINC000066793783 941821376 /nfs/dbraw/zinc/82/13/76/941821376.db2.gz RVQYKAZPFJHHAC-UHFFFAOYSA-N 2 1 366.431 3.703 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000513336906 941859629 /nfs/dbraw/zinc/85/96/29/941859629.db2.gz XUWLDBUFBWWMDS-IYBDPMFKSA-N 2 1 366.933 3.670 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000518774446 941867017 /nfs/dbraw/zinc/86/70/17/941867017.db2.gz IFGFTEJKNZNOLW-UHFFFAOYSA-N 2 1 367.537 3.842 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)[C@H]1c1cccs1 ZINC000893019454 941894085 /nfs/dbraw/zinc/89/40/85/941894085.db2.gz KTPNCAVBXNFAOW-BFJAYTPKSA-N 2 1 357.361 3.894 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)[C@H]1c1cccs1 ZINC000893019454 941894086 /nfs/dbraw/zinc/89/40/86/941894086.db2.gz KTPNCAVBXNFAOW-BFJAYTPKSA-N 2 1 357.361 3.894 20 0 FHADMP COc1cccc(-c2csc(C[NH2+]CCCCn3cc[nH+]c3C)n2)c1 ZINC000893029571 941911294 /nfs/dbraw/zinc/91/12/94/941911294.db2.gz NJEDYYZCXIRXEC-UHFFFAOYSA-N 2 1 356.495 3.894 20 0 FHADMP COCCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430363 941917068 /nfs/dbraw/zinc/91/70/68/941917068.db2.gz QIILMPOVUSGCFN-FQEVSTJZSA-N 2 1 360.542 3.800 20 0 FHADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513430363 941917070 /nfs/dbraw/zinc/91/70/70/941917070.db2.gz QIILMPOVUSGCFN-FQEVSTJZSA-N 2 1 360.542 3.800 20 0 FHADMP CCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000513454853 941932189 /nfs/dbraw/zinc/93/21/89/941932189.db2.gz ILSWPLQZIUZRKZ-QFIPXVFZSA-N 2 1 373.585 3.998 20 0 FHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000513517668 941978251 /nfs/dbraw/zinc/97/82/51/941978251.db2.gz JIFKBWUGDJZNOR-ZJMJOCHXSA-N 2 1 353.510 3.942 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524286 941982250 /nfs/dbraw/zinc/98/22/50/941982250.db2.gz GGEGXFIOELDONT-WOIUINJBSA-N 2 1 352.526 3.718 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524288 941982332 /nfs/dbraw/zinc/98/23/32/941982332.db2.gz GGEGXFIOELDONT-XQBPLPMBSA-N 2 1 352.526 3.718 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524288 941982334 /nfs/dbraw/zinc/98/23/34/941982334.db2.gz GGEGXFIOELDONT-XQBPLPMBSA-N 2 1 352.526 3.718 20 0 FHADMP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000430022608 941990420 /nfs/dbraw/zinc/99/04/20/941990420.db2.gz LSXPWTHRYRXDSC-SFHVURJKSA-N 2 1 356.514 3.625 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523823 941995504 /nfs/dbraw/zinc/99/55/04/941995504.db2.gz CLECJKXUHNWDNS-KNQAVFIVSA-N 2 1 352.526 3.862 20 0 FHADMP COc1ccccc1/C=C/CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377864413 942040446 /nfs/dbraw/zinc/04/04/46/942040446.db2.gz MSYPQEOJRGRHIJ-FNORWQNLSA-N 2 1 365.521 3.742 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000513627715 942053410 /nfs/dbraw/zinc/05/34/10/942053410.db2.gz XSTLQRDLPAVILM-VXKWHMMOSA-N 2 1 365.521 3.704 20 0 FHADMP CCOc1ccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)cc1F ZINC000377901055 942060211 /nfs/dbraw/zinc/06/02/11/942060211.db2.gz FNDKQJJSHBZMBC-UHFFFAOYSA-N 2 1 371.500 3.758 20 0 FHADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513661847 942070785 /nfs/dbraw/zinc/07/07/85/942070785.db2.gz RERAOVSYPHUGDG-PCCBWWKXSA-N 2 1 371.569 3.572 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415914085 942136892 /nfs/dbraw/zinc/13/68/92/942136892.db2.gz UMEWZKFYAROXPG-FQEVSTJZSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415910977 942144522 /nfs/dbraw/zinc/14/45/22/942144522.db2.gz IRNANLLHXUXNHX-MSOLQXFVSA-N 2 1 366.509 3.533 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000415923548 942153401 /nfs/dbraw/zinc/15/34/01/942153401.db2.gz WKCVTFVOOHWTNS-QGZVFWFLSA-N 2 1 372.538 3.501 20 0 FHADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000415919372 942155345 /nfs/dbraw/zinc/15/53/45/942155345.db2.gz HRLMDPFCFVIGNB-FQEVSTJZSA-N 2 1 366.509 3.534 20 0 FHADMP CC(C)CC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378035990 942189414 /nfs/dbraw/zinc/18/94/14/942189414.db2.gz FFUCUSLOTJIPFH-UHFFFAOYSA-N 2 1 365.606 3.713 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000415953344 942193589 /nfs/dbraw/zinc/19/35/89/942193589.db2.gz LEGMTJWOGNRHKK-RBUKOAKNSA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415956219 942198061 /nfs/dbraw/zinc/19/80/61/942198061.db2.gz NTNFTJZBNFUKGH-FQEVSTJZSA-N 2 1 366.509 3.582 20 0 FHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415962253 942200981 /nfs/dbraw/zinc/20/09/81/942200981.db2.gz SKAJGNSKKPTCQI-INIZCTEOSA-N 2 1 372.435 3.502 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415977914 942220730 /nfs/dbraw/zinc/22/07/30/942220730.db2.gz OUYAGXRRANTEBA-UHFFFAOYSA-N 2 1 366.509 3.521 20 0 FHADMP COCC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000420906540 942247863 /nfs/dbraw/zinc/24/78/63/942247863.db2.gz SMDJIAJTVIFEDE-FQEVSTJZSA-N 2 1 368.521 3.728 20 0 FHADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000420906540 942247867 /nfs/dbraw/zinc/24/78/67/942247867.db2.gz SMDJIAJTVIFEDE-FQEVSTJZSA-N 2 1 368.521 3.728 20 0 FHADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000420906540 942247873 /nfs/dbraw/zinc/24/78/73/942247873.db2.gz SMDJIAJTVIFEDE-FQEVSTJZSA-N 2 1 368.521 3.728 20 0 FHADMP Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910983 942249929 /nfs/dbraw/zinc/24/99/29/942249929.db2.gz FWIZYSKVCFESID-JOCHJYFZSA-N 2 1 353.510 3.585 20 0 FHADMP Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910983 942249934 /nfs/dbraw/zinc/24/99/34/942249934.db2.gz FWIZYSKVCFESID-JOCHJYFZSA-N 2 1 353.510 3.585 20 0 FHADMP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420948420 942270071 /nfs/dbraw/zinc/27/00/71/942270071.db2.gz NWFSGBRNBZYKNX-SFHVURJKSA-N 2 1 356.432 3.683 20 0 FHADMP FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420948420 942270075 /nfs/dbraw/zinc/27/00/75/942270075.db2.gz NWFSGBRNBZYKNX-SFHVURJKSA-N 2 1 356.432 3.683 20 0 FHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040452 942270488 /nfs/dbraw/zinc/27/04/88/942270488.db2.gz ZYIGKXDYMWCMLH-DQEVTTJGSA-N 2 1 370.459 3.992 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000431856879 942285077 /nfs/dbraw/zinc/28/50/77/942285077.db2.gz KAWKBOOQJSMNJR-FPOVZHCZSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431856879 942285081 /nfs/dbraw/zinc/28/50/81/942285081.db2.gz KAWKBOOQJSMNJR-FPOVZHCZSA-N 2 1 363.590 3.754 20 0 FHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431856879 942285084 /nfs/dbraw/zinc/28/50/84/942285084.db2.gz KAWKBOOQJSMNJR-FPOVZHCZSA-N 2 1 363.590 3.754 20 0 FHADMP C[N@H+](CC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085439 942302167 /nfs/dbraw/zinc/30/21/67/942302167.db2.gz ZMVLVCNXNPQWGG-UHFFFAOYSA-N 2 1 372.900 3.522 20 0 FHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260401 942319527 /nfs/dbraw/zinc/31/95/27/942319527.db2.gz WUUVHRQLVYLXID-LEWJYISDSA-N 2 1 360.542 3.635 20 0 FHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000502260401 942319532 /nfs/dbraw/zinc/31/95/32/942319532.db2.gz WUUVHRQLVYLXID-LEWJYISDSA-N 2 1 360.542 3.635 20 0 FHADMP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000419695332 942354577 /nfs/dbraw/zinc/35/45/77/942354577.db2.gz RVUZIOGTOHONSO-ILXRZTDVSA-N 2 1 354.325 3.789 20 0 FHADMP O[C@@H]1CC[N@H+](Cc2ccc(CNc3[nH+]ccc4cc(F)ccc43)cc2)C1 ZINC000664237212 942364204 /nfs/dbraw/zinc/36/42/04/942364204.db2.gz QUPWADXAVXQTST-LJQANCHMSA-N 2 1 351.425 3.553 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3[nH+]ccc4cc(F)ccc43)cc2)C1 ZINC000664237212 942364208 /nfs/dbraw/zinc/36/42/08/942364208.db2.gz QUPWADXAVXQTST-LJQANCHMSA-N 2 1 351.425 3.553 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378192508 942375391 /nfs/dbraw/zinc/37/53/91/942375391.db2.gz ZGHDKOACGGMCKC-IXDOHACOSA-N 2 1 370.006 3.901 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000378199840 942379332 /nfs/dbraw/zinc/37/93/32/942379332.db2.gz JJXCIDBCQPDHOA-AUUYWEPGSA-N 2 1 366.440 3.587 20 0 FHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868309 942379842 /nfs/dbraw/zinc/37/98/42/942379842.db2.gz FUPKTHRYNFRIIU-XIKOKIGWSA-N 2 1 368.905 3.925 20 0 FHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868309 942379845 /nfs/dbraw/zinc/37/98/45/942379845.db2.gz FUPKTHRYNFRIIU-XIKOKIGWSA-N 2 1 368.905 3.925 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501285810 942388538 /nfs/dbraw/zinc/38/85/38/942388538.db2.gz RGUMXTXVJRXQTA-ILWGZMRPSA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000501285810 942388542 /nfs/dbraw/zinc/38/85/42/942388542.db2.gz RGUMXTXVJRXQTA-ILWGZMRPSA-N 2 1 371.569 3.935 20 0 FHADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000501285810 942388546 /nfs/dbraw/zinc/38/85/46/942388546.db2.gz RGUMXTXVJRXQTA-ILWGZMRPSA-N 2 1 371.569 3.935 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712237 942413188 /nfs/dbraw/zinc/41/31/88/942413188.db2.gz AYZXVFOIAOIAGY-AQNXPRMDSA-N 2 1 358.526 3.979 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000501386640 942442296 /nfs/dbraw/zinc/44/22/96/942442296.db2.gz MCRIOABJLCHZIM-HXUWFJFHSA-N 2 1 352.522 3.912 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000505292554 942451422 /nfs/dbraw/zinc/45/14/22/942451422.db2.gz WNMAMQUGBPSDAP-QFIPXVFZSA-N 2 1 371.569 3.794 20 0 FHADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000181098755 942484826 /nfs/dbraw/zinc/48/48/26/942484826.db2.gz XQLKFQVTTMNAFT-NRFANRHFSA-N 2 1 358.526 3.707 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCCOc3ccccc3)CC2)CC1 ZINC000421365662 942517161 /nfs/dbraw/zinc/51/71/61/942517161.db2.gz BOFIEWWMHBIOTC-UHFFFAOYSA-N 2 1 373.585 3.728 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000421372688 942523814 /nfs/dbraw/zinc/52/38/14/942523814.db2.gz LIFQFVKQKNAETE-LJQANCHMSA-N 2 1 361.549 3.639 20 0 FHADMP Clc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000513816243 942534533 /nfs/dbraw/zinc/53/45/33/942534533.db2.gz KKCUUKCDQFKMQQ-UHFFFAOYSA-N 2 1 357.325 3.928 20 0 FHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@H]2CCCO2)c1 ZINC000513718169 942576477 /nfs/dbraw/zinc/57/64/77/942576477.db2.gz VZUKXCQREHOOGM-XRXFAXGQSA-N 2 1 358.526 3.515 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000420300997 942611229 /nfs/dbraw/zinc/61/12/29/942611229.db2.gz IHPFAQNYCHGSDM-LAUBAEHRSA-N 2 1 370.493 3.592 20 0 FHADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420304149 942611952 /nfs/dbraw/zinc/61/19/52/942611952.db2.gz LAUHAWVYQCTLGU-KRWDZBQOSA-N 2 1 358.505 3.860 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)CC(=O)NCCc2ccccc2)cc1 ZINC000414844588 942611969 /nfs/dbraw/zinc/61/19/69/942611969.db2.gz KXKSPKPZROKEQK-XMSQKQJNSA-N 2 1 367.537 3.537 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000420307091 942612848 /nfs/dbraw/zinc/61/28/48/942612848.db2.gz QYYKXZVKKYMSCM-HQZQWKOLSA-N 2 1 363.590 3.560 20 0 FHADMP COc1ccccc1CCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420311549 942615099 /nfs/dbraw/zinc/61/50/99/942615099.db2.gz NNNPHQCCMCRRFK-NRFANRHFSA-N 2 1 353.510 3.667 20 0 FHADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420311384 942615413 /nfs/dbraw/zinc/61/54/13/942615413.db2.gz VSIQOCDVIHLLMN-IUODEOHRSA-N 2 1 355.345 3.917 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000420318974 942620048 /nfs/dbraw/zinc/62/00/48/942620048.db2.gz QWADQXKGYURVIU-IAGOWNOFSA-N 2 1 363.461 3.545 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000420318974 942620053 /nfs/dbraw/zinc/62/00/53/942620053.db2.gz QWADQXKGYURVIU-IAGOWNOFSA-N 2 1 363.461 3.545 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420332577 942631319 /nfs/dbraw/zinc/63/13/19/942631319.db2.gz DHDVUNCZFBTRMG-MAUKXSAKSA-N 2 1 363.933 3.748 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420332582 942631583 /nfs/dbraw/zinc/63/15/83/942631583.db2.gz DHDVUNCZFBTRMG-YJBOKZPZSA-N 2 1 363.933 3.748 20 0 FHADMP CCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385020 942648812 /nfs/dbraw/zinc/64/88/12/942648812.db2.gz FBSFFXVHMIOXKC-CTNGQTDRSA-N 2 1 365.521 3.657 20 0 FHADMP CCN(C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420385020 942648819 /nfs/dbraw/zinc/64/88/19/942648819.db2.gz FBSFFXVHMIOXKC-CTNGQTDRSA-N 2 1 365.521 3.657 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420386523 942649318 /nfs/dbraw/zinc/64/93/18/942649318.db2.gz GABGFXHRWMQVEH-RBBKRZOGSA-N 2 1 363.505 3.903 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420386523 942649321 /nfs/dbraw/zinc/64/93/21/942649321.db2.gz GABGFXHRWMQVEH-RBBKRZOGSA-N 2 1 363.505 3.903 20 0 FHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000420396428 942654334 /nfs/dbraw/zinc/65/43/34/942654334.db2.gz FEBRWYSXHMQWIH-UWVGGRQHSA-N 2 1 354.317 3.879 20 0 FHADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000502694695 942662057 /nfs/dbraw/zinc/66/20/57/942662057.db2.gz AUHIXHPZXYBRPN-GKJHBJHPSA-N 2 1 360.542 3.591 20 0 FHADMP CC[N@@H+](CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C(C)C ZINC000502761035 942722383 /nfs/dbraw/zinc/72/23/83/942722383.db2.gz FTPZFAATCLWMHT-IBGZPJMESA-N 2 1 374.573 3.680 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@H+]1Cc1ccccc1 ZINC000893227563 942726594 /nfs/dbraw/zinc/72/65/94/942726594.db2.gz ZRPQBTSETKSHBC-RDJZCZTQSA-N 2 1 356.539 3.806 20 0 FHADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405663 942732088 /nfs/dbraw/zinc/73/20/88/942732088.db2.gz SAVJAEMZWFJMJR-XWPNQZOQSA-N 2 1 366.933 3.507 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCCO[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081770 942733029 /nfs/dbraw/zinc/73/30/29/942733029.db2.gz CSWSQXOIEHMSGX-VJBWXMMDSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081770 942733033 /nfs/dbraw/zinc/73/30/33/942733033.db2.gz CSWSQXOIEHMSGX-VJBWXMMDSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081770 942733036 /nfs/dbraw/zinc/73/30/36/942733036.db2.gz CSWSQXOIEHMSGX-VJBWXMMDSA-N 2 1 372.553 3.906 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757912 /nfs/dbraw/zinc/75/79/12/942757912.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@@H+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757913 /nfs/dbraw/zinc/75/79/13/942757913.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@H+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757915 /nfs/dbraw/zinc/75/79/15/942757915.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757918 /nfs/dbraw/zinc/75/79/18/942757918.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757920 /nfs/dbraw/zinc/75/79/20/942757920.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757921 /nfs/dbraw/zinc/75/79/21/942757921.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@H+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757923 /nfs/dbraw/zinc/75/79/23/942757923.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCCO[C@@H]2CCCCO2)CC3)cc1 ZINC000514118621 942767068 /nfs/dbraw/zinc/76/70/68/942767068.db2.gz LKBYGBDKTJEVKE-JOCHJYFZSA-N 2 1 372.553 3.908 20 0 FHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000659991948 942792556 /nfs/dbraw/zinc/79/25/56/942792556.db2.gz DHYYLRVDMYJRJT-DHIUTWEWSA-N 2 1 355.570 3.671 20 0 FHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000659991948 942792562 /nfs/dbraw/zinc/79/25/62/942792562.db2.gz DHYYLRVDMYJRJT-DHIUTWEWSA-N 3 1 355.570 3.671 20 0 FHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000659991948 942792565 /nfs/dbraw/zinc/79/25/65/942792565.db2.gz DHYYLRVDMYJRJT-DHIUTWEWSA-N 3 1 355.570 3.671 20 0 FHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000522735781 942811071 /nfs/dbraw/zinc/81/10/71/942811071.db2.gz PTSHFJNCWYAXGN-SFHVURJKSA-N 2 1 361.505 3.598 20 0 FHADMP Cc1ccc2c(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248351 942849686 /nfs/dbraw/zinc/84/96/86/942849686.db2.gz ORKPNTZSHUCPOE-FUHWJXTLSA-N 2 1 353.510 3.991 20 0 FHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000502919067 942856239 /nfs/dbraw/zinc/85/62/39/942856239.db2.gz OIGFUWGELDSIEI-QYZOEREBSA-N 2 1 374.573 3.535 20 0 FHADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686033 942864546 /nfs/dbraw/zinc/86/45/46/942864546.db2.gz SWRJAYFWSGCTFQ-OKZBNKHCSA-N 2 1 372.557 3.577 20 0 FHADMP Cc1nc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cs1 ZINC000503087267 942970840 /nfs/dbraw/zinc/97/08/40/942970840.db2.gz OMUICTMOEGEVDO-PZJWPPBQSA-N 2 1 355.551 3.981 20 0 FHADMP Cc1nc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cs1 ZINC000503087267 942970844 /nfs/dbraw/zinc/97/08/44/942970844.db2.gz OMUICTMOEGEVDO-PZJWPPBQSA-N 2 1 355.551 3.981 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cs1 ZINC000503087267 942970848 /nfs/dbraw/zinc/97/08/48/942970848.db2.gz OMUICTMOEGEVDO-PZJWPPBQSA-N 2 1 355.551 3.981 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cs1 ZINC000503087267 942970851 /nfs/dbraw/zinc/97/08/51/942970851.db2.gz OMUICTMOEGEVDO-PZJWPPBQSA-N 2 1 355.551 3.981 20 0 FHADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1OCc1cccnc1 ZINC000414862198 943076989 /nfs/dbraw/zinc/07/69/89/943076989.db2.gz VEROWVSYUWIDBW-UHFFFAOYSA-N 2 1 369.509 3.811 20 0 FHADMP C[C@@H](C[NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000414863517 943096451 /nfs/dbraw/zinc/09/64/51/943096451.db2.gz XGVVYHIUGXUXQJ-HNNXBMFYSA-N 2 1 351.416 3.973 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272161664 943103364 /nfs/dbraw/zinc/10/33/64/943103364.db2.gz HUSUFSNTASSFCZ-SFHVURJKSA-N 2 1 359.558 3.721 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272171176 943105824 /nfs/dbraw/zinc/10/58/24/943105824.db2.gz HZODPMCEDYKUHQ-XKGZKEIXSA-N 2 1 371.550 3.995 20 0 FHADMP C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272171176 943105827 /nfs/dbraw/zinc/10/58/27/943105827.db2.gz HZODPMCEDYKUHQ-XKGZKEIXSA-N 2 1 371.550 3.995 20 0 FHADMP C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361831 943143171 /nfs/dbraw/zinc/14/31/71/943143171.db2.gz SGLSARDCRAURIW-FPOVZHCZSA-N 2 1 355.570 3.894 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361831 943143176 /nfs/dbraw/zinc/14/31/76/943143176.db2.gz SGLSARDCRAURIW-FPOVZHCZSA-N 3 1 355.570 3.894 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361831 943143182 /nfs/dbraw/zinc/14/31/82/943143182.db2.gz SGLSARDCRAURIW-FPOVZHCZSA-N 3 1 355.570 3.894 20 0 FHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414662923 943148800 /nfs/dbraw/zinc/14/88/00/943148800.db2.gz QSWDGTGDOBQABD-IBGZPJMESA-N 2 1 355.530 3.865 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000514634318 943165789 /nfs/dbraw/zinc/16/57/89/943165789.db2.gz FGYKMMNGJOBIOD-JXFKEZNVSA-N 2 1 368.477 3.649 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000414672496 943191049 /nfs/dbraw/zinc/19/10/49/943191049.db2.gz PNHWTENFKVMYAI-VDGAXYAQSA-N 2 1 362.477 3.610 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430129178 943222699 /nfs/dbraw/zinc/22/26/99/943222699.db2.gz ZPEYZVKDZVFQFH-NRFANRHFSA-N 2 1 372.944 3.729 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430129178 943222703 /nfs/dbraw/zinc/22/27/03/943222703.db2.gz ZPEYZVKDZVFQFH-NRFANRHFSA-N 2 1 372.944 3.729 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430129178 943222712 /nfs/dbraw/zinc/22/27/12/943222712.db2.gz ZPEYZVKDZVFQFH-NRFANRHFSA-N 2 1 372.944 3.729 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430129178 943222719 /nfs/dbraw/zinc/22/27/19/943222719.db2.gz ZPEYZVKDZVFQFH-NRFANRHFSA-N 2 1 372.944 3.729 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422699141 943236341 /nfs/dbraw/zinc/23/63/41/943236341.db2.gz AFAVYAPMYBMSKF-KDOFPFPSSA-N 2 1 362.901 3.795 20 0 FHADMP CC[C@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704867 943239999 /nfs/dbraw/zinc/23/99/99/943239999.db2.gz ARBIFXIMYPFWAF-OALUTQOASA-N 2 1 369.475 3.790 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422730690 943249364 /nfs/dbraw/zinc/24/93/64/943249364.db2.gz FFRZWLHUDPZDMS-MBSDFSHPSA-N 2 1 366.553 3.973 20 0 FHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc1 ZINC000505630874 943250968 /nfs/dbraw/zinc/25/09/68/943250968.db2.gz GXNQZLBPQHAEKY-UHFFFAOYSA-N 2 1 368.525 3.901 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc1 ZINC000505630874 943250975 /nfs/dbraw/zinc/25/09/75/943250975.db2.gz GXNQZLBPQHAEKY-UHFFFAOYSA-N 2 1 368.525 3.901 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])c2)cc1 ZINC000422713211 943252397 /nfs/dbraw/zinc/25/23/97/943252397.db2.gz PAZVEQRLIQTDMJ-LEWJYISDSA-N 2 1 351.494 3.997 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757794 943262288 /nfs/dbraw/zinc/26/22/88/943262288.db2.gz IYZXRTXOKMVNOL-RGIVZKHGSA-N 2 1 369.475 3.818 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755476 943273662 /nfs/dbraw/zinc/27/36/62/943273662.db2.gz HYVXVFVGZOFTEB-DNGCBJQESA-N 2 1 371.569 3.588 20 0 FHADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755476 943273669 /nfs/dbraw/zinc/27/36/69/943273669.db2.gz HYVXVFVGZOFTEB-DNGCBJQESA-N 2 1 371.569 3.588 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422756823 943274857 /nfs/dbraw/zinc/27/48/57/943274857.db2.gz IDYDLCFGJSNIER-BZZMCLGOSA-N 2 1 355.448 3.558 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768804 943276459 /nfs/dbraw/zinc/27/64/59/943276459.db2.gz UYLKECMGERJJEP-XIVBQZFQSA-N 2 1 369.475 3.676 20 0 FHADMP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1Cl)c1ccccc1OC ZINC000422775177 943278201 /nfs/dbraw/zinc/27/82/01/943278201.db2.gz AMAOZEUCCMRDMX-MGPUTAFESA-N 2 1 362.901 3.782 20 0 FHADMP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422778437 943279795 /nfs/dbraw/zinc/27/97/95/943279795.db2.gz AOPBCYURBMOIRG-LFRPXUGBSA-N 2 1 356.441 3.741 20 0 FHADMP C[C@]1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCS1 ZINC000628295837 943291120 /nfs/dbraw/zinc/29/11/20/943291120.db2.gz MLNUHIQPOGTJLA-LEWJYISDSA-N 2 1 374.594 3.791 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422829302 943297105 /nfs/dbraw/zinc/29/71/05/943297105.db2.gz BRKGSBJHJYESLA-CUWPLCDZSA-N 2 1 357.567 3.508 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828860 943298217 /nfs/dbraw/zinc/29/82/17/943298217.db2.gz BNJRPZQZGLDKLH-BVOGOJNSSA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828860 943298220 /nfs/dbraw/zinc/29/82/20/943298220.db2.gz BNJRPZQZGLDKLH-BVOGOJNSSA-N 3 1 361.599 3.861 20 0 FHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828860 943298224 /nfs/dbraw/zinc/29/82/24/943298224.db2.gz BNJRPZQZGLDKLH-BVOGOJNSSA-N 2 1 361.599 3.861 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828860 943298229 /nfs/dbraw/zinc/29/82/29/943298229.db2.gz BNJRPZQZGLDKLH-BVOGOJNSSA-N 2 1 361.599 3.861 20 0 FHADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832153 943298980 /nfs/dbraw/zinc/29/89/80/943298980.db2.gz URMZCZVZZUHNTM-UWJYYQICSA-N 2 1 357.567 3.508 20 0 FHADMP c1ccc(CN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2)cc1 ZINC000422834634 943299675 /nfs/dbraw/zinc/29/96/75/943299675.db2.gz ZYXGEKLPFGRPKQ-VSGJHWFKSA-N 2 1 363.549 3.952 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818458 943303166 /nfs/dbraw/zinc/30/31/66/943303166.db2.gz GEMQWVYTIXYLOP-FYYLOGMGSA-N 3 1 369.553 3.629 20 0 FHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818459 943303489 /nfs/dbraw/zinc/30/34/89/943303489.db2.gz GEMQWVYTIXYLOP-GGAORHGYSA-N 3 1 369.553 3.629 20 0 FHADMP CC1(C)OCc2cc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)ccc2O1 ZINC000186362607 943308605 /nfs/dbraw/zinc/30/86/05/943308605.db2.gz UJUFCROWTQNRHD-UHFFFAOYSA-N 2 1 366.505 3.870 20 0 FHADMP CC1(C)OCc2cc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)ccc2O1 ZINC000186362607 943308613 /nfs/dbraw/zinc/30/86/13/943308613.db2.gz UJUFCROWTQNRHD-UHFFFAOYSA-N 2 1 366.505 3.870 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422845885 943313696 /nfs/dbraw/zinc/31/36/96/943313696.db2.gz PARLJBBPXFXMPX-UNMCSNQZSA-N 2 1 364.468 3.903 20 0 FHADMP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422885458 943317805 /nfs/dbraw/zinc/31/78/05/943317805.db2.gz YRYKXJWUHYWHEW-DYVFJYSZSA-N 2 1 357.325 3.772 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCC[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422888014 943318330 /nfs/dbraw/zinc/31/83/30/943318330.db2.gz ZPSPZVNTICEWKZ-COPCDDAFSA-N 2 1 359.558 3.590 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422890409 943319763 /nfs/dbraw/zinc/31/97/63/943319763.db2.gz RXJXBLATFPGPSY-LNLFQRSKSA-N 2 1 366.553 3.656 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425327882 943320054 /nfs/dbraw/zinc/32/00/54/943320054.db2.gz SGDGQMOHYRYVDY-CQSZACIVSA-N 2 1 364.559 3.503 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425327882 943320057 /nfs/dbraw/zinc/32/00/57/943320057.db2.gz SGDGQMOHYRYVDY-CQSZACIVSA-N 2 1 364.559 3.503 20 0 FHADMP C[NH+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425327882 943320065 /nfs/dbraw/zinc/32/00/65/943320065.db2.gz SGDGQMOHYRYVDY-CQSZACIVSA-N 2 1 364.559 3.503 20 0 FHADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422892351 943320229 /nfs/dbraw/zinc/32/02/29/943320229.db2.gz MWGSRDHQGPNSRC-KYNGSXCRSA-N 2 1 356.466 3.516 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1)C1CCCCC1 ZINC000414703611 943331269 /nfs/dbraw/zinc/33/12/69/943331269.db2.gz CNCPONRAMBCKIF-NRFANRHFSA-N 2 1 358.530 3.700 20 0 FHADMP COc1ccc([C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422924415 943333540 /nfs/dbraw/zinc/33/35/40/943333540.db2.gz YFQCAJKSQHCVEV-SFTDATJTSA-N 2 1 358.526 3.817 20 0 FHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422942462 943340044 /nfs/dbraw/zinc/34/00/44/943340044.db2.gz KIOGJQHUCWVBSN-CSODHUTKSA-N 2 1 353.510 3.719 20 0 FHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000422941811 943340400 /nfs/dbraw/zinc/34/04/00/943340400.db2.gz IMTHHVRFMMQSCL-RLCAUIQDSA-N 2 1 353.329 3.859 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000414706659 943348630 /nfs/dbraw/zinc/34/86/30/943348630.db2.gz GUJZMUOEVQBLPE-QUCCMNQESA-N 2 1 370.541 3.667 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000422998160 943359752 /nfs/dbraw/zinc/35/97/52/943359752.db2.gz CKRBNUPCZSCPJC-OOWPADAASA-N 3 1 355.570 3.797 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423003290 943361561 /nfs/dbraw/zinc/36/15/61/943361561.db2.gz HHFBAHLYJCOTLU-XPWALMASSA-N 3 1 367.537 3.922 20 0 FHADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423003290 943361567 /nfs/dbraw/zinc/36/15/67/943361567.db2.gz HHFBAHLYJCOTLU-XPWALMASSA-N 2 1 367.537 3.922 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371585 943364706 /nfs/dbraw/zinc/36/47/06/943364706.db2.gz NSCAAHZVWODVSJ-HKUYNNGSSA-N 2 1 352.526 3.784 20 0 FHADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036506 943373311 /nfs/dbraw/zinc/37/33/11/943373311.db2.gz UEUNSZRWQFXSGR-UGSOOPFHSA-N 2 1 356.341 3.545 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423066156 943379863 /nfs/dbraw/zinc/37/98/63/943379863.db2.gz WEQWPRRJPUUIGG-YWZLYKJASA-N 2 1 355.913 3.922 20 0 FHADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049578 943383751 /nfs/dbraw/zinc/38/37/51/943383751.db2.gz KGUIJDUFKNLBGU-FCGDIQPGSA-N 2 1 369.475 3.818 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000423083939 943388413 /nfs/dbraw/zinc/38/84/13/943388413.db2.gz ZQQXPUNPSCNZRZ-CVEARBPZSA-N 2 1 351.372 3.604 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3OC(F)F)CC2)cc1 ZINC000503871707 943392650 /nfs/dbraw/zinc/39/26/50/943392650.db2.gz KRKDNHZLNDJCMZ-QZTJIDSGSA-N 2 1 356.432 3.583 20 0 FHADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423100795 943394761 /nfs/dbraw/zinc/39/47/61/943394761.db2.gz BXSPRSSCPUBTEX-VHDGCEQUSA-N 2 1 358.404 3.604 20 0 FHADMP C[C@H](Cc1ccccc1)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421147 943401903 /nfs/dbraw/zinc/40/19/03/943401903.db2.gz IAAANJPFEUKBJX-MJGOQNOKSA-N 2 1 355.551 3.966 20 0 FHADMP Cc1ccc2ncc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n2c1 ZINC000435429185 943409007 /nfs/dbraw/zinc/40/90/07/943409007.db2.gz WJCUVRBEYWFFGR-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP Cc1ccc2ncc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n2c1 ZINC000435429185 943409010 /nfs/dbraw/zinc/40/90/10/943409010.db2.gz WJCUVRBEYWFFGR-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423134448 943414760 /nfs/dbraw/zinc/41/47/60/943414760.db2.gz RXDFRLGPJMOMHK-ILWGZMRPSA-N 2 1 354.469 3.739 20 0 FHADMP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191597 943436326 /nfs/dbraw/zinc/43/63/26/943436326.db2.gz SZBBXNHBZYAUGK-LJQANCHMSA-N 2 1 374.326 3.991 20 0 FHADMP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417220876 943447759 /nfs/dbraw/zinc/44/77/59/943447759.db2.gz OGUCZNFZNUTNMY-UHFFFAOYSA-N 2 1 374.573 3.577 20 0 FHADMP CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232026 943453467 /nfs/dbraw/zinc/45/34/67/943453467.db2.gz BSZBKHIVCIVXFR-XPNTWCBSSA-N 2 1 365.521 3.655 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCCc2cccnc2)cc1 ZINC000423317925 943474109 /nfs/dbraw/zinc/47/41/09/943474109.db2.gz BFVDKWWCDUJDDZ-BULFRSBZSA-N 2 1 353.510 3.537 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423335690 943483380 /nfs/dbraw/zinc/48/33/80/943483380.db2.gz UCVQERQJLOIBPJ-MFKMUULPSA-N 2 1 366.328 3.887 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423385153 943498447 /nfs/dbraw/zinc/49/84/47/943498447.db2.gz GKHZNMPEAAVLKV-GBIKHYSHSA-N 2 1 350.356 3.538 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318412 943504329 /nfs/dbraw/zinc/50/43/29/943504329.db2.gz YVWXFXRHZWHZIC-OFOKGCAXSA-N 2 1 370.562 3.713 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318412 943504335 /nfs/dbraw/zinc/50/43/35/943504335.db2.gz YVWXFXRHZWHZIC-OFOKGCAXSA-N 2 1 370.562 3.713 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2NCCc3ccccc32)CC1 ZINC000423437323 943519368 /nfs/dbraw/zinc/51/93/68/943519368.db2.gz UIKFJWMVYZCXRV-UBVWURDFSA-N 2 1 363.549 3.906 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C3)cc1 ZINC000423507430 943531806 /nfs/dbraw/zinc/53/18/06/943531806.db2.gz IOZUJEGEFUMTMH-OSFFKXSWSA-N 2 1 361.533 3.527 20 0 FHADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423505867 943531824 /nfs/dbraw/zinc/53/18/24/943531824.db2.gz GSTDHARWSGQPSI-LRDDRELGSA-N 2 1 365.930 3.801 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345505 943532630 /nfs/dbraw/zinc/53/26/30/943532630.db2.gz SBNONAKCIFKJFB-JOCLIGHLSA-N 2 1 356.535 3.597 20 0 FHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000423528452 943538530 /nfs/dbraw/zinc/53/85/30/943538530.db2.gz OFSUIOWLOXDRPF-IBGZPJMESA-N 2 1 374.532 3.879 20 0 FHADMP COc1ccccc1[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423510635 943540715 /nfs/dbraw/zinc/54/07/15/943540715.db2.gz MVAOAASIWPEGHQ-XPJNUEMQSA-N 2 1 371.569 3.733 20 0 FHADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519538 943543985 /nfs/dbraw/zinc/54/39/85/943543985.db2.gz PXUPJMNEHPBMDT-AJTFCVKESA-N 2 1 371.569 3.830 20 0 FHADMP Fc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCCC2)cc1 ZINC000423522279 943545456 /nfs/dbraw/zinc/54/54/56/943545456.db2.gz ULQYPPZOCGUEGQ-HRTMPFAESA-N 2 1 359.533 3.863 20 0 FHADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000423526673 943547169 /nfs/dbraw/zinc/54/71/69/943547169.db2.gz ZVXILLRNSIUVPK-NEWJYFPISA-N 3 1 363.549 3.967 20 0 FHADMP CC(=O)Nc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435696044 943561370 /nfs/dbraw/zinc/56/13/70/943561370.db2.gz SYYYMCAKOJCAON-FQEVSTJZSA-N 2 1 369.534 3.851 20 0 FHADMP COc1cccc(CCC[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435736227 943589277 /nfs/dbraw/zinc/58/92/77/943589277.db2.gz VFQJZFLZXCTZLJ-GOSISDBHSA-N 2 1 359.539 3.504 20 0 FHADMP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414756051 943593985 /nfs/dbraw/zinc/59/39/85/943593985.db2.gz QBIINMPUWBKEQH-QUCCMNQESA-N 2 1 353.510 3.523 20 0 FHADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773974 943729674 /nfs/dbraw/zinc/72/96/74/943729674.db2.gz FAOCPYWZMOYLMY-CVEARBPZSA-N 2 1 352.906 3.569 20 0 FHADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549475065 943742412 /nfs/dbraw/zinc/74/24/12/943742412.db2.gz CEINWNYWAPYGCX-ZAAXVRCTSA-N 2 1 369.475 3.703 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424130202 943757672 /nfs/dbraw/zinc/75/76/72/943757672.db2.gz HCDGFBSCBKFUCY-AZUAARDMSA-N 2 1 351.579 3.693 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000414903923 943784495 /nfs/dbraw/zinc/78/44/95/943784495.db2.gz IWXNPLTYBBFJJJ-FUHWJXTLSA-N 2 1 369.513 3.503 20 0 FHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000312555245 943790001 /nfs/dbraw/zinc/79/00/01/943790001.db2.gz XROKWBXKIUQTKH-WMZHIEFXSA-N 2 1 365.521 3.906 20 0 FHADMP C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257426 943795788 /nfs/dbraw/zinc/79/57/88/943795788.db2.gz SUAIWSNOQDUFOW-FTRWYGJKSA-N 2 1 373.566 3.732 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424286579 943819272 /nfs/dbraw/zinc/81/92/72/943819272.db2.gz HGXINFUDXHQYQN-CYBMUJFWSA-N 2 1 370.324 3.786 20 0 FHADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782764 943845677 /nfs/dbraw/zinc/84/56/77/943845677.db2.gz OUHOEWRCMUYSOU-HUUCEWRRSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1ccncc1CCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000516962706 943868073 /nfs/dbraw/zinc/86/80/73/943868073.db2.gz DWENKFTYTTYGJV-BGYRXZFFSA-N 2 1 359.558 3.534 20 0 FHADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785239 943875928 /nfs/dbraw/zinc/87/59/28/943875928.db2.gz SFBLQKDDQWATTI-IRXDYDNUSA-N 2 1 357.523 3.544 20 0 FHADMP Cc1nc(COc2ccc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2)cs1 ZINC000424378805 943888115 /nfs/dbraw/zinc/88/81/15/943888115.db2.gz NWXXPQXYCIAPSZ-INIZCTEOSA-N 2 1 371.550 3.995 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1OCc1ccccn1)CC[NH2+]CC2 ZINC000424381983 943890290 /nfs/dbraw/zinc/89/02/90/943890290.db2.gz RRLLALVAEHGRNY-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424388567 943895677 /nfs/dbraw/zinc/89/56/77/943895677.db2.gz ZCQIRNYFILGVTJ-SFHVURJKSA-N 2 1 366.553 3.821 20 0 FHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000516992171 943896763 /nfs/dbraw/zinc/89/67/63/943896763.db2.gz CJXJYGRMFRXJOY-UHFFFAOYSA-N 2 1 374.554 3.816 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425432576 943906720 /nfs/dbraw/zinc/90/67/20/943906720.db2.gz KYHMQJRNRZLCFX-MJGOQNOKSA-N 2 1 350.510 3.886 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425432576 943906726 /nfs/dbraw/zinc/90/67/26/943906726.db2.gz KYHMQJRNRZLCFX-MJGOQNOKSA-N 2 1 350.510 3.886 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000424428172 943924111 /nfs/dbraw/zinc/92/41/11/943924111.db2.gz RUAQESOESZNLBG-RTBURBONSA-N 2 1 372.900 3.674 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000424428172 943924114 /nfs/dbraw/zinc/92/41/14/943924114.db2.gz RUAQESOESZNLBG-RTBURBONSA-N 2 1 372.900 3.674 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCC3CCCCC3)CC2)CC1 ZINC000517039538 943942137 /nfs/dbraw/zinc/94/21/37/943942137.db2.gz YOLRJDKUNUBHGM-UHFFFAOYSA-N 2 1 363.590 3.612 20 0 FHADMP COc1ccc([C@H](C)C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1 ZINC000414877041 943970551 /nfs/dbraw/zinc/97/05/51/943970551.db2.gz FHGRKPMOSBTWLV-XGRCMKMKSA-N 2 1 354.494 3.543 20 0 FHADMP CCCCc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414798996 943980499 /nfs/dbraw/zinc/98/04/99/943980499.db2.gz ZWAPEWKTMSEBRW-KRWDZBQOSA-N 2 1 356.510 3.963 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417938958 943981219 /nfs/dbraw/zinc/98/12/19/943981219.db2.gz JJIUWRAIMXWOIE-YLJYHZDGSA-N 2 1 371.550 3.623 20 0 FHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417938958 943981221 /nfs/dbraw/zinc/98/12/21/943981221.db2.gz JJIUWRAIMXWOIE-YLJYHZDGSA-N 2 1 371.550 3.623 20 0 FHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500121075 944136098 /nfs/dbraw/zinc/13/60/98/944136098.db2.gz ZCXJTUVEEXHDKJ-JOCHJYFZSA-N 2 1 363.565 3.741 20 0 FHADMP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1 ZINC000517267641 944169924 /nfs/dbraw/zinc/16/99/24/944169924.db2.gz CCGQTZOCJAFOLT-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1 ZINC000517267641 944169927 /nfs/dbraw/zinc/16/99/27/944169927.db2.gz CCGQTZOCJAFOLT-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1 ZINC000517267641 944169930 /nfs/dbraw/zinc/16/99/30/944169930.db2.gz CCGQTZOCJAFOLT-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1 ZINC000517267641 944169933 /nfs/dbraw/zinc/16/99/33/944169933.db2.gz CCGQTZOCJAFOLT-NHCUHLMSSA-N 2 1 366.505 3.658 20 0 FHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)C[NH+](C)C ZINC000425920211 944173285 /nfs/dbraw/zinc/17/32/85/944173285.db2.gz JYFYUZAXWLSWDP-RYRKJORJSA-N 2 1 352.494 3.622 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000436291894 944178958 /nfs/dbraw/zinc/17/89/58/944178958.db2.gz AUNCTZMDIHGIPU-VIYGXFRKSA-N 2 1 356.510 3.503 20 0 FHADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000191479408 944184143 /nfs/dbraw/zinc/18/41/43/944184143.db2.gz JWEXAVLBTGXOMQ-QGZVFWFLSA-N 2 1 369.431 3.910 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000191479408 944184145 /nfs/dbraw/zinc/18/41/45/944184145.db2.gz JWEXAVLBTGXOMQ-QGZVFWFLSA-N 2 1 369.431 3.910 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000191479408 944184148 /nfs/dbraw/zinc/18/41/48/944184148.db2.gz JWEXAVLBTGXOMQ-QGZVFWFLSA-N 2 1 369.431 3.910 20 0 FHADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757580 944185333 /nfs/dbraw/zinc/18/53/33/944185333.db2.gz IMCROWZBDPVRMG-CEXWTWQISA-N 2 1 373.585 3.947 20 0 FHADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000436312605 944190880 /nfs/dbraw/zinc/19/08/80/944190880.db2.gz KVMWNWGOCDFPGD-RZDIXWSQSA-N 2 1 356.432 3.652 20 0 FHADMP c1ccc(C[NH+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167975091 944269474 /nfs/dbraw/zinc/26/94/74/944269474.db2.gz GUVUVPUNCDOCPF-GLCCWIKHSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167975091 944269484 /nfs/dbraw/zinc/26/94/84/944269484.db2.gz GUVUVPUNCDOCPF-GLCCWIKHSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167975091 944269490 /nfs/dbraw/zinc/26/94/90/944269490.db2.gz GUVUVPUNCDOCPF-GLCCWIKHSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(CN2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167975091 944269499 /nfs/dbraw/zinc/26/94/99/944269499.db2.gz GUVUVPUNCDOCPF-GLCCWIKHSA-N 2 1 353.554 3.646 20 0 FHADMP c1ccc(CN2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167975091 944269507 /nfs/dbraw/zinc/26/95/07/944269507.db2.gz GUVUVPUNCDOCPF-GLCCWIKHSA-N 2 1 353.554 3.646 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436400767 944277105 /nfs/dbraw/zinc/27/71/05/944277105.db2.gz LOBSQLBUNXLIAF-TUACAJSNSA-N 2 1 364.533 3.754 20 0 FHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000550165950 944320404 /nfs/dbraw/zinc/32/04/04/944320404.db2.gz AHVOITRYYMHYNZ-SFHVURJKSA-N 2 1 361.530 3.610 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426285653 944356946 /nfs/dbraw/zinc/35/69/46/944356946.db2.gz CIFCJCAMKWEUSV-SESVDKBCSA-N 2 1 367.512 3.905 20 0 FHADMP Cc1nnc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837570 944392499 /nfs/dbraw/zinc/39/24/99/944392499.db2.gz PGFUFAAQVXQTPD-OXJNMPFZSA-N 2 1 367.541 3.797 20 0 FHADMP Cc1nnc([C@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000664837570 944392502 /nfs/dbraw/zinc/39/25/02/944392502.db2.gz PGFUFAAQVXQTPD-OXJNMPFZSA-N 2 1 367.541 3.797 20 0 FHADMP CC1(C)C[N@@H+](CCn2cccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838486 944396628 /nfs/dbraw/zinc/39/66/28/944396628.db2.gz RYPMDFCZQCCUHR-NRFANRHFSA-N 2 1 352.526 3.506 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000438186027 944403147 /nfs/dbraw/zinc/40/31/47/944403147.db2.gz DOLQKVGCMYORBR-SBFWRKJZSA-N 2 1 364.533 3.795 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000438186027 944403152 /nfs/dbraw/zinc/40/31/52/944403152.db2.gz DOLQKVGCMYORBR-SBFWRKJZSA-N 2 1 364.533 3.795 20 0 FHADMP [NH3+]C1(Cc2ccccc2F)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978617 944443679 /nfs/dbraw/zinc/44/36/79/944443679.db2.gz PWJSTHVGSPOINF-WCRBZPEASA-N 2 1 371.544 3.567 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@H+]1C ZINC000426325464 944446845 /nfs/dbraw/zinc/44/68/45/944446845.db2.gz VBTFDHCTVZCTOD-HUUCEWRRSA-N 2 1 351.332 3.943 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426321631 944451137 /nfs/dbraw/zinc/45/11/37/944451137.db2.gz DTEQSIBLKOBRRE-XUVXKRRUSA-N 2 1 353.510 3.936 20 0 FHADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426321631 944451143 /nfs/dbraw/zinc/45/11/43/944451143.db2.gz DTEQSIBLKOBRRE-XUVXKRRUSA-N 2 1 353.510 3.936 20 0 FHADMP [NH3+]Cc1cccc(Br)c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981826 944490483 /nfs/dbraw/zinc/49/04/83/944490483.db2.gz LXVCQYFPHZNMRH-MQVJKMGUSA-N 2 1 364.331 3.725 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577470 944497314 /nfs/dbraw/zinc/49/73/14/944497314.db2.gz CGALQUCBANIIHB-CEXWTWQISA-N 2 1 370.459 3.988 20 0 FHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390577470 944497315 /nfs/dbraw/zinc/49/73/15/944497315.db2.gz CGALQUCBANIIHB-CEXWTWQISA-N 2 1 370.459 3.988 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694501 944553691 /nfs/dbraw/zinc/55/36/91/944553691.db2.gz JTPZGUIUDIFJFY-UCNVEGJOSA-N 2 1 361.493 3.611 20 0 FHADMP Cc1cccc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000516195667 944568440 /nfs/dbraw/zinc/56/84/40/944568440.db2.gz GDEGFUICEKEPSA-HSZRJFAPSA-N 2 1 369.528 3.841 20 0 FHADMP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000550262672 944621578 /nfs/dbraw/zinc/62/15/78/944621578.db2.gz NKEYBQBXJDSZDL-HXUWFJFHSA-N 2 1 356.535 3.767 20 0 FHADMP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000426017839 944630153 /nfs/dbraw/zinc/63/01/53/944630153.db2.gz NTONWFUGKJGNJQ-HKUYNNGSSA-N 2 1 371.491 3.761 20 0 FHADMP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000426017839 944630163 /nfs/dbraw/zinc/63/01/63/944630163.db2.gz NTONWFUGKJGNJQ-HKUYNNGSSA-N 2 1 371.491 3.761 20 0 FHADMP Cc1nn2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c(C(C)C)nc2s1 ZINC000506884685 944703295 /nfs/dbraw/zinc/70/32/95/944703295.db2.gz MATMWJRNWRYNNC-UHFFFAOYSA-N 2 1 361.559 3.530 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000517865816 944762420 /nfs/dbraw/zinc/76/24/20/944762420.db2.gz POBQSHYWWVPUDX-FPOVZHCZSA-N 2 1 359.558 3.698 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564178 944766761 /nfs/dbraw/zinc/76/67/61/944766761.db2.gz YTQFQMMRDHYURV-JOCHJYFZSA-N 3 1 371.569 3.612 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564178 944766767 /nfs/dbraw/zinc/76/67/67/944766767.db2.gz YTQFQMMRDHYURV-JOCHJYFZSA-N 3 1 371.569 3.612 20 0 FHADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000366697954 944793033 /nfs/dbraw/zinc/79/30/33/944793033.db2.gz RCLJMJNHXXIQIO-QKYXUNIQSA-N 2 1 373.566 3.984 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438576228 944794125 /nfs/dbraw/zinc/79/41/25/944794125.db2.gz LYEFSFZLBVGSLL-OAQYLSRUSA-N 2 1 357.542 3.550 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438576228 944794129 /nfs/dbraw/zinc/79/41/29/944794129.db2.gz LYEFSFZLBVGSLL-OAQYLSRUSA-N 2 1 357.542 3.550 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438576228 944794140 /nfs/dbraw/zinc/79/41/40/944794140.db2.gz LYEFSFZLBVGSLL-OAQYLSRUSA-N 2 1 357.542 3.550 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195215931 944830876 /nfs/dbraw/zinc/83/08/76/944830876.db2.gz JKWUWVGIGXTKBE-NQIIRXRSSA-N 2 1 367.578 3.591 20 0 FHADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)c(N)n1 ZINC001279135348 944908967 /nfs/dbraw/zinc/90/89/67/944908967.db2.gz KNWFLSOYHPGDLL-UHFFFAOYSA-N 2 1 370.463 3.603 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)cc1 ZINC000511695078 944910209 /nfs/dbraw/zinc/91/02/09/944910209.db2.gz GKKCTABHRKVBJB-OALUTQOASA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000511695078 944910218 /nfs/dbraw/zinc/91/02/18/944910218.db2.gz GKKCTABHRKVBJB-OALUTQOASA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000511695078 944910225 /nfs/dbraw/zinc/91/02/25/944910225.db2.gz GKKCTABHRKVBJB-OALUTQOASA-N 2 1 359.558 3.769 20 0 FHADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c4ccccc34)CC2)oc1C ZINC000518921019 944924740 /nfs/dbraw/zinc/92/47/40/944924740.db2.gz DLDCHIWULCQLBR-UHFFFAOYSA-N 2 1 350.466 3.586 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000506341828 944979127 /nfs/dbraw/zinc/97/91/27/944979127.db2.gz LQUXTEGIGNTSDD-UHFFFAOYSA-N 3 1 372.601 3.523 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000506341828 944979135 /nfs/dbraw/zinc/97/91/35/944979135.db2.gz LQUXTEGIGNTSDD-UHFFFAOYSA-N 3 1 372.601 3.523 20 0 FHADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414946082 944982360 /nfs/dbraw/zinc/98/23/60/944982360.db2.gz SLQMQNSELMOMHH-LIRRHRJNSA-N 2 1 357.885 3.680 20 0 FHADMP c1ccc(CCCO[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000518989701 945018701 /nfs/dbraw/zinc/01/87/01/945018701.db2.gz ZRIBHQWWFHWWDT-HSZRJFAPSA-N 2 1 350.506 3.556 20 0 FHADMP Cc1cc(C)n(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)n1 ZINC001167965324 945027393 /nfs/dbraw/zinc/02/73/93/945027393.db2.gz BAKDBMZBTPQZRY-BRTIRZTQSA-N 2 1 364.537 3.984 20 0 FHADMP CN(CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001167965376 945037576 /nfs/dbraw/zinc/03/75/76/945037576.db2.gz DCBWXLDBMMUOSC-YQQQUEKLSA-N 2 1 365.562 3.629 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1 ZINC000388792741 945043113 /nfs/dbraw/zinc/04/31/13/945043113.db2.gz SARXMDLGZPETMB-CMKODMSKSA-N 2 1 351.494 3.514 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1 ZINC000388792741 945043118 /nfs/dbraw/zinc/04/31/18/945043118.db2.gz SARXMDLGZPETMB-CMKODMSKSA-N 2 1 351.494 3.514 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440280474 945372968 /nfs/dbraw/zinc/37/29/68/945372968.db2.gz IQRRJAKXKJZCHV-SYYKKAFVSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280474 945372980 /nfs/dbraw/zinc/37/29/80/945372980.db2.gz IQRRJAKXKJZCHV-SYYKKAFVSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280474 945372992 /nfs/dbraw/zinc/37/29/92/945372992.db2.gz IQRRJAKXKJZCHV-SYYKKAFVSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440280477 945373235 /nfs/dbraw/zinc/37/32/35/945373235.db2.gz IQRRJAKXKJZCHV-UZKOGDIHSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280477 945373246 /nfs/dbraw/zinc/37/32/46/945373246.db2.gz IQRRJAKXKJZCHV-UZKOGDIHSA-N 2 1 369.553 3.563 20 0 FHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440280477 945373257 /nfs/dbraw/zinc/37/32/57/945373257.db2.gz IQRRJAKXKJZCHV-UZKOGDIHSA-N 2 1 369.553 3.563 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000660694516 945398012 /nfs/dbraw/zinc/39/80/12/945398012.db2.gz CSWMTZQLVVVGNH-UHFFFAOYSA-N 2 1 370.990 3.895 20 0 FHADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000519453840 945424606 /nfs/dbraw/zinc/42/46/06/945424606.db2.gz OZNTUPVVYUBKHN-GOSISDBHSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925846 945463915 /nfs/dbraw/zinc/46/39/15/945463915.db2.gz RKBGJUFHOSWUCT-JPYJTQIMSA-N 2 1 365.521 3.933 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925846 945463919 /nfs/dbraw/zinc/46/39/19/945463919.db2.gz RKBGJUFHOSWUCT-JPYJTQIMSA-N 2 1 365.521 3.933 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925843 945464134 /nfs/dbraw/zinc/46/41/34/945464134.db2.gz RKBGJUFHOSWUCT-FDDCHVKYSA-N 2 1 365.521 3.933 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)CCO1 ZINC000280925843 945464141 /nfs/dbraw/zinc/46/41/41/945464141.db2.gz RKBGJUFHOSWUCT-FDDCHVKYSA-N 2 1 365.521 3.933 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000660835568 945526641 /nfs/dbraw/zinc/52/66/41/945526641.db2.gz VOOWAHAGTIDDJE-NRFANRHFSA-N 2 1 355.570 3.599 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000651719226 945771417 /nfs/dbraw/zinc/77/14/17/945771417.db2.gz MZVQGMVAXAJBDM-UZLBHIALSA-N 2 1 367.522 3.502 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000651719226 945771421 /nfs/dbraw/zinc/77/14/21/945771421.db2.gz MZVQGMVAXAJBDM-UZLBHIALSA-N 2 1 367.522 3.502 20 0 FHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519817116 945783211 /nfs/dbraw/zinc/78/32/11/945783211.db2.gz BEVDGIURNVYNDM-LJQANCHMSA-N 2 1 369.484 3.574 20 0 FHADMP CCc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[NH+](C)C)cc1 ZINC000110919228 945783955 /nfs/dbraw/zinc/78/39/55/945783955.db2.gz XIPNFUACOXBLHG-YADHBBJMSA-N 2 1 367.537 3.661 20 0 FHADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000519827253 945790650 /nfs/dbraw/zinc/79/06/50/945790650.db2.gz NCYUKLDHBMOEJL-IBGZPJMESA-N 2 1 364.537 3.586 20 0 FHADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000519827253 945790661 /nfs/dbraw/zinc/79/06/61/945790661.db2.gz NCYUKLDHBMOEJL-IBGZPJMESA-N 2 1 364.537 3.586 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000651758574 945849384 /nfs/dbraw/zinc/84/93/84/945849384.db2.gz FIOQXXHJAMHNHZ-CABCVRRESA-N 2 1 350.478 3.586 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000651758574 945849396 /nfs/dbraw/zinc/84/93/96/945849396.db2.gz FIOQXXHJAMHNHZ-CABCVRRESA-N 2 1 350.478 3.586 20 0 FHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000111174147 945851550 /nfs/dbraw/zinc/85/15/50/945851550.db2.gz PNQFLDDGBUEYDX-JOCHJYFZSA-N 2 1 365.521 3.956 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000111174147 945851559 /nfs/dbraw/zinc/85/15/59/945851559.db2.gz PNQFLDDGBUEYDX-JOCHJYFZSA-N 2 1 365.521 3.956 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700509 945922605 /nfs/dbraw/zinc/92/26/05/945922605.db2.gz FLBHWXAFKCYAEN-VQIMIIECSA-N 2 1 369.509 3.953 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440836504 945950112 /nfs/dbraw/zinc/95/01/12/945950112.db2.gz ZQVVPMFELGLDDY-CQSZACIVSA-N 2 1 366.431 3.950 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440836504 945950122 /nfs/dbraw/zinc/95/01/22/945950122.db2.gz ZQVVPMFELGLDDY-CQSZACIVSA-N 2 1 366.431 3.950 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)C1 ZINC000440824692 945958105 /nfs/dbraw/zinc/95/81/05/945958105.db2.gz UUVYSAQMEBIYGB-AWEZNQCLSA-N 2 1 366.431 3.950 20 0 FHADMP Brc1cncc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000284200858 945970685 /nfs/dbraw/zinc/97/06/85/945970685.db2.gz BRXCYWGCCPEXIR-GVDBMIGSSA-N 2 1 350.304 3.512 20 0 FHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428330872 946030385 /nfs/dbraw/zinc/03/03/85/946030385.db2.gz PQYPAOZWIRRQMG-OAQYLSRUSA-N 2 1 371.550 3.594 20 0 FHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000428330872 946030400 /nfs/dbraw/zinc/03/04/00/946030400.db2.gz PQYPAOZWIRRQMG-OAQYLSRUSA-N 2 1 371.550 3.594 20 0 FHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000522893915 946074746 /nfs/dbraw/zinc/07/47/46/946074746.db2.gz ICTYQVALXZJIPS-GHTZIAJQSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000522893915 946074762 /nfs/dbraw/zinc/07/47/62/946074762.db2.gz ICTYQVALXZJIPS-GHTZIAJQSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000522893915 946074767 /nfs/dbraw/zinc/07/47/67/946074767.db2.gz ICTYQVALXZJIPS-GHTZIAJQSA-N 2 1 357.542 3.552 20 0 FHADMP COC(=O)c1ccc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000103142988 946250232 /nfs/dbraw/zinc/25/02/32/946250232.db2.gz GEPJEELOGOFNEV-KRWDZBQOSA-N 2 1 370.493 3.971 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1cccc2ccccc21 ZINC000441200130 946300634 /nfs/dbraw/zinc/30/06/34/946300634.db2.gz OCADWBLYQNQVTK-YMPZKCBVSA-N 2 1 352.522 3.956 20 0 FHADMP COC(=O)C1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168055696 946300695 /nfs/dbraw/zinc/30/06/95/946300695.db2.gz XRMQMSLHJHTELW-OPVJXMOQSA-N 2 1 358.526 3.703 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSc1ccc(Cl)cc1 ZINC000441206539 946315984 /nfs/dbraw/zinc/31/59/84/946315984.db2.gz WWRIMLOMKDMIOO-NXHRZFHOSA-N 2 1 354.947 3.616 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000520251568 946322270 /nfs/dbraw/zinc/32/22/70/946322270.db2.gz GNHAGGDJOVRMIU-GOSISDBHSA-N 2 1 363.590 3.515 20 0 FHADMP CCOC1CC(CNc2c(C)c[nH+]c3c(C)cccc23)([NH+]2CCOCC2)C1 ZINC000302834902 946345733 /nfs/dbraw/zinc/34/57/33/946345733.db2.gz UMOYFQAOVUGKAL-UHFFFAOYSA-N 2 1 369.509 3.533 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259919 946356645 /nfs/dbraw/zinc/35/66/45/946356645.db2.gz FEURSESXMYFVET-HMXCVIKNSA-N 2 1 360.542 3.546 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067326 946357168 /nfs/dbraw/zinc/35/71/68/946357168.db2.gz TYYBJOURNCFNIU-UCBRCEGISA-N 2 1 373.560 3.936 20 0 FHADMP OCC[N@H+]1CCCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000302883543 946367773 /nfs/dbraw/zinc/36/77/73/946367773.db2.gz JOCTYZDUSAYXIE-UHFFFAOYSA-N 2 1 363.461 3.532 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc2ccccc2c1 ZINC000441268069 946375004 /nfs/dbraw/zinc/37/50/04/946375004.db2.gz QSGZFFHPWJUISG-YMPZKCBVSA-N 2 1 368.521 3.792 20 0 FHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000125222914 946416629 /nfs/dbraw/zinc/41/66/29/946416629.db2.gz FUDKYRZWEDBDEL-UHFFFAOYSA-N 2 1 359.539 3.947 20 0 FHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000125222914 946416635 /nfs/dbraw/zinc/41/66/35/946416635.db2.gz FUDKYRZWEDBDEL-UHFFFAOYSA-N 2 1 359.539 3.947 20 0 FHADMP C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488940 946430419 /nfs/dbraw/zinc/43/04/19/946430419.db2.gz VTUOAZOIJYNXCT-WNRNVDISSA-N 2 1 365.562 3.532 20 0 FHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000441356720 946475777 /nfs/dbraw/zinc/47/57/77/946475777.db2.gz QISMWLOAQFBZPR-QFIPXVFZSA-N 2 1 373.585 3.627 20 0 FHADMP CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423028543 946566171 /nfs/dbraw/zinc/56/61/71/946566171.db2.gz GQNVHCDYTWPBTC-TUNNFDKTSA-N 2 1 371.569 3.538 20 0 FHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001279145486 946594149 /nfs/dbraw/zinc/59/41/49/946594149.db2.gz CGCYDXMNOXDPIG-UHFFFAOYSA-N 2 1 366.933 3.639 20 0 FHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001279145486 946594159 /nfs/dbraw/zinc/59/41/59/946594159.db2.gz CGCYDXMNOXDPIG-UHFFFAOYSA-N 2 1 366.933 3.639 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561369 946662191 /nfs/dbraw/zinc/66/21/91/946662191.db2.gz YFBQAYNGVXRIDZ-BKKLHLQPSA-N 3 1 367.581 3.894 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059201 946663829 /nfs/dbraw/zinc/66/38/29/946663829.db2.gz SFFUSTSYHLRSQR-SFHLNBCPSA-N 2 1 371.569 3.665 20 0 FHADMP CC(C)C(=O)N[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059201 946663835 /nfs/dbraw/zinc/66/38/35/946663835.db2.gz SFFUSTSYHLRSQR-SFHLNBCPSA-N 2 1 371.569 3.665 20 0 FHADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000475224250 946746489 /nfs/dbraw/zinc/74/64/89/946746489.db2.gz MWDXNQXPFJEGCU-NRFANRHFSA-N 2 1 352.526 3.538 20 0 FHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348049 946879345 /nfs/dbraw/zinc/87/93/45/946879345.db2.gz SMWRPLQQEFJGNI-VKZRIFJHSA-N 2 1 372.431 3.865 20 0 FHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000550380490 946884422 /nfs/dbraw/zinc/88/44/22/946884422.db2.gz YVQHPXJAFDENIN-QUCCMNQESA-N 2 1 351.579 3.656 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347419 946885607 /nfs/dbraw/zinc/88/56/07/946885607.db2.gz AMTCRRLDEIGSLV-TXTKFYIRSA-N 2 1 368.521 3.827 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348623 946893785 /nfs/dbraw/zinc/89/37/85/946893785.db2.gz KTBCNUCCBMRLTJ-QRQLOZEOSA-N 2 1 370.459 3.856 20 0 FHADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350356 946894850 /nfs/dbraw/zinc/89/48/50/946894850.db2.gz UMPZDEBXEFFIRW-QKLQHJQFSA-N 2 1 366.933 3.846 20 0 FHADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@H]1CC[NH3+] ZINC000652353503 946903736 /nfs/dbraw/zinc/90/37/36/946903736.db2.gz MBFOGNAOKHKEPJ-UWJYYQICSA-N 2 1 351.494 3.741 20 0 FHADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@H]1CC[NH3+] ZINC000652353503 946903749 /nfs/dbraw/zinc/90/37/49/946903749.db2.gz MBFOGNAOKHKEPJ-UWJYYQICSA-N 2 1 351.494 3.741 20 0 FHADMP CC[N@@H+](CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000102066821 946929970 /nfs/dbraw/zinc/92/99/70/946929970.db2.gz IQNZZXUIGINGPC-UHFFFAOYSA-N 2 1 369.513 3.661 20 0 FHADMP CC[N@H+](CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000102066821 946929963 /nfs/dbraw/zinc/92/99/63/946929963.db2.gz IQNZZXUIGINGPC-UHFFFAOYSA-N 2 1 369.513 3.661 20 0 FHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1cccc(F)c1 ZINC000278854534 947061894 /nfs/dbraw/zinc/06/18/94/947061894.db2.gz KOLHYEHRELPBTH-UHFFFAOYSA-N 2 1 370.472 3.567 20 0 FHADMP Cc1noc([C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064610 947066712 /nfs/dbraw/zinc/06/67/12/947066712.db2.gz QRIFZMCXXRUBGW-WOUAJJJCSA-N 2 1 354.498 3.609 20 0 FHADMP Cc1noc([C@@H]2CC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064610 947066721 /nfs/dbraw/zinc/06/67/21/947066721.db2.gz QRIFZMCXXRUBGW-WOUAJJJCSA-N 2 1 354.498 3.609 20 0 FHADMP Cc1noc([C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064610 947066730 /nfs/dbraw/zinc/06/67/30/947066730.db2.gz QRIFZMCXXRUBGW-WOUAJJJCSA-N 2 1 354.498 3.609 20 0 FHADMP CCc1ccccc1CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000444649682 947070595 /nfs/dbraw/zinc/07/05/95/947070595.db2.gz AXSRUQRBCXSDKB-UHFFFAOYSA-N 2 1 371.613 3.920 20 0 FHADMP CCc1ccccc1CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444649682 947070605 /nfs/dbraw/zinc/07/06/05/947070605.db2.gz AXSRUQRBCXSDKB-UHFFFAOYSA-N 3 1 371.613 3.920 20 0 FHADMP CCc1ccccc1CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444649682 947070611 /nfs/dbraw/zinc/07/06/11/947070611.db2.gz AXSRUQRBCXSDKB-UHFFFAOYSA-N 3 1 371.613 3.920 20 0 FHADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441430855 947090843 /nfs/dbraw/zinc/09/08/43/947090843.db2.gz ASJJHSAQVLDTIC-MRXNPFEDSA-N 2 1 356.432 3.892 20 0 FHADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441430855 947090854 /nfs/dbraw/zinc/09/08/54/947090854.db2.gz ASJJHSAQVLDTIC-MRXNPFEDSA-N 2 1 356.432 3.892 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444669976 947093860 /nfs/dbraw/zinc/09/38/60/947093860.db2.gz HRAPHVAVLGHTMS-GHTZIAJQSA-N 2 1 369.578 3.873 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444671931 947096570 /nfs/dbraw/zinc/09/65/70/947096570.db2.gz KJNPDCISTLFVAQ-GCJKJVERSA-N 2 1 369.578 3.873 20 0 FHADMP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825261016 947135792 /nfs/dbraw/zinc/13/57/92/947135792.db2.gz SEINNOMFZQAWBT-QGZVFWFLSA-N 2 1 370.545 3.637 20 0 FHADMP Cc1sc2nc(CN3CCCC3)nc(NCC[N@H+](C)C(C)C)c2c1C ZINC000301146089 947202252 /nfs/dbraw/zinc/20/22/52/947202252.db2.gz LRWDBFVNAONIBO-UHFFFAOYSA-N 2 1 361.559 3.656 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[N@@H+](C)C(C)C)c2c1C ZINC000301146089 947202259 /nfs/dbraw/zinc/20/22/59/947202259.db2.gz LRWDBFVNAONIBO-UHFFFAOYSA-N 2 1 361.559 3.656 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[N@H+](C)C(C)C)c2c1C ZINC000301146089 947202264 /nfs/dbraw/zinc/20/22/64/947202264.db2.gz LRWDBFVNAONIBO-UHFFFAOYSA-N 2 1 361.559 3.656 20 0 FHADMP CCOCc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000246907953 947256287 /nfs/dbraw/zinc/25/62/87/947256287.db2.gz UPCWWHWTYSISHJ-RXVVDRJESA-N 2 1 358.526 3.680 20 0 FHADMP CCOCc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000246907953 947256293 /nfs/dbraw/zinc/25/62/93/947256293.db2.gz UPCWWHWTYSISHJ-RXVVDRJESA-N 2 1 358.526 3.680 20 0 FHADMP CCOCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000246907953 947256298 /nfs/dbraw/zinc/25/62/98/947256298.db2.gz UPCWWHWTYSISHJ-RXVVDRJESA-N 2 1 358.526 3.680 20 0 FHADMP CCOCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000246907953 947256305 /nfs/dbraw/zinc/25/63/05/947256305.db2.gz UPCWWHWTYSISHJ-RXVVDRJESA-N 2 1 358.526 3.680 20 0 FHADMP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)c(Cl)cc1O ZINC000248872494 947313390 /nfs/dbraw/zinc/31/33/90/947313390.db2.gz IFOJCKLQGCUINZ-STQMWFEESA-N 2 1 361.313 3.587 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)c(Cl)cc1O ZINC000248872494 947313404 /nfs/dbraw/zinc/31/34/04/947313404.db2.gz IFOJCKLQGCUINZ-STQMWFEESA-N 2 1 361.313 3.587 20 0 FHADMP [NH3+]C1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC2(CCC2)C1 ZINC000663250176 947532326 /nfs/dbraw/zinc/53/23/26/947532326.db2.gz DBEJIXRSUORGNT-UHFFFAOYSA-N 2 1 352.482 3.841 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000120905191 947571845 /nfs/dbraw/zinc/57/18/45/947571845.db2.gz OMAIRTXQJSJBER-UHFFFAOYSA-N 2 1 350.466 3.516 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000120905191 947571852 /nfs/dbraw/zinc/57/18/52/947571852.db2.gz OMAIRTXQJSJBER-UHFFFAOYSA-N 2 1 350.466 3.516 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189044462 947611621 /nfs/dbraw/zinc/61/16/21/947611621.db2.gz FCCXAFNJRYMPIX-GOSISDBHSA-N 2 1 358.505 3.815 20 0 FHADMP COc1ccc(Br)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000523861203 947671815 /nfs/dbraw/zinc/67/18/15/947671815.db2.gz FCYQZFVYDVCZLB-MRXNPFEDSA-N 2 1 357.336 3.914 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260615 947679729 /nfs/dbraw/zinc/67/97/29/947679729.db2.gz ADXQGSIZERFGAR-UHFFFAOYSA-N 3 1 363.549 3.676 20 0 FHADMP CCc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327760 947758689 /nfs/dbraw/zinc/75/86/89/947758689.db2.gz UUWLJWLGAIWYEH-UHFFFAOYSA-N 2 1 352.526 3.819 20 0 FHADMP COc1ccc(C)cc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328982 947759519 /nfs/dbraw/zinc/75/95/19/947759519.db2.gz XUENZKJKEMPZSI-UHFFFAOYSA-N 2 1 368.525 3.573 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662386934 947777308 /nfs/dbraw/zinc/77/73/08/947777308.db2.gz PUAWIUFMBGULQK-LVCYWYKZSA-N 2 1 371.569 3.553 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344103 947806374 /nfs/dbraw/zinc/80/63/74/947806374.db2.gz OFHKEIREXISMLC-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344103 947806382 /nfs/dbraw/zinc/80/63/82/947806382.db2.gz OFHKEIREXISMLC-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344103 947806393 /nfs/dbraw/zinc/80/63/93/947806393.db2.gz OFHKEIREXISMLC-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344079 947806408 /nfs/dbraw/zinc/80/64/08/947806408.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344079 947806413 /nfs/dbraw/zinc/80/64/13/947806413.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344079 947806419 /nfs/dbraw/zinc/80/64/19/947806419.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344079 947806422 /nfs/dbraw/zinc/80/64/22/947806422.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000663344079 947806425 /nfs/dbraw/zinc/80/64/25/947806425.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 2 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344079 947806429 /nfs/dbraw/zinc/80/64/29/947806429.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000663344079 947806430 /nfs/dbraw/zinc/80/64/30/947806430.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344079 947806434 /nfs/dbraw/zinc/80/64/34/947806434.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000663344079 947806440 /nfs/dbraw/zinc/80/64/40/947806440.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 3 1 355.570 3.751 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344921 947810679 /nfs/dbraw/zinc/81/06/79/947810679.db2.gz ZHLFTSYVJJLLJN-IBGZPJMESA-N 2 1 365.521 3.969 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344921 947810682 /nfs/dbraw/zinc/81/06/82/947810682.db2.gz ZHLFTSYVJJLLJN-IBGZPJMESA-N 2 1 365.521 3.969 20 0 FHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(OC(F)F)c1 ZINC000663345531 947813614 /nfs/dbraw/zinc/81/36/14/947813614.db2.gz KJKWBGJZIDXWBW-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(OC(F)F)c1 ZINC000663345531 947813620 /nfs/dbraw/zinc/81/36/20/947813620.db2.gz KJKWBGJZIDXWBW-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP c1ccc(OCc2ccncc2)c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347679 947819721 /nfs/dbraw/zinc/81/97/21/947819721.db2.gz RYZPLTSRAXRHAB-NRFANRHFSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347679 947819728 /nfs/dbraw/zinc/81/97/28/947819728.db2.gz RYZPLTSRAXRHAB-NRFANRHFSA-N 2 1 365.521 3.872 20 0 FHADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347679 947819735 /nfs/dbraw/zinc/81/97/35/947819735.db2.gz RYZPLTSRAXRHAB-NRFANRHFSA-N 2 1 365.521 3.872 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663347576 947820954 /nfs/dbraw/zinc/82/09/54/947820954.db2.gz PEYJCIMXDWJVQJ-INIZCTEOSA-N 2 1 366.933 3.959 20 0 FHADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347576 947820961 /nfs/dbraw/zinc/82/09/61/947820961.db2.gz PEYJCIMXDWJVQJ-INIZCTEOSA-N 2 1 366.933 3.959 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360429 947850088 /nfs/dbraw/zinc/85/00/88/947850088.db2.gz WNFTXPDZRXBIMX-DYESRHJHSA-N 2 1 371.550 3.774 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000662487274 947856684 /nfs/dbraw/zinc/85/66/84/947856684.db2.gz JKVXJUJXFAJEOL-GMAHTHKFSA-N 2 1 371.569 3.512 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662524520 947888540 /nfs/dbraw/zinc/88/85/40/947888540.db2.gz XRSVNLBAGWLEGY-CXAGYDPISA-N 2 1 374.356 3.881 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662524523 947888677 /nfs/dbraw/zinc/88/86/77/947888677.db2.gz XRSVNLBAGWLEGY-SUMWQHHRSA-N 2 1 374.356 3.881 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662598339 947923997 /nfs/dbraw/zinc/92/39/97/947923997.db2.gz UKTBATZZMKYMSC-JOCHJYFZSA-N 2 1 371.569 3.770 20 0 FHADMP [NH3+][C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000662693031 947984591 /nfs/dbraw/zinc/98/45/91/947984591.db2.gz SDQHILSEMPKQPX-FQEVSTJZSA-N 2 1 373.447 3.632 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)C1([NH2+]C2CC2)CCC1)C1CCCCC1 ZINC000662690579 947986158 /nfs/dbraw/zinc/98/61/58/947986158.db2.gz BJYKEYYLIMPLER-UHFFFAOYSA-N 2 1 369.553 3.742 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466148 948051209 /nfs/dbraw/zinc/05/12/09/948051209.db2.gz OOHFSTBRQCGBAV-SIKLNZKXSA-N 2 1 364.537 3.961 20 0 FHADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466148 948051218 /nfs/dbraw/zinc/05/12/18/948051218.db2.gz OOHFSTBRQCGBAV-SIKLNZKXSA-N 2 1 364.537 3.961 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466155 948051463 /nfs/dbraw/zinc/05/14/63/948051463.db2.gz ORJSBZIRQRZNBY-NZQKXSOJSA-N 2 1 369.597 3.794 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466155 948051467 /nfs/dbraw/zinc/05/14/67/948051467.db2.gz ORJSBZIRQRZNBY-NZQKXSOJSA-N 3 1 369.597 3.794 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466155 948051474 /nfs/dbraw/zinc/05/14/74/948051474.db2.gz ORJSBZIRQRZNBY-NZQKXSOJSA-N 3 1 369.597 3.794 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000663466601 948058047 /nfs/dbraw/zinc/05/80/47/948058047.db2.gz VYPKOXUQDUSAOY-LPHOPBHVSA-N 2 1 360.542 3.655 20 0 FHADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001936 948170609 /nfs/dbraw/zinc/17/06/09/948170609.db2.gz AJUDCKLPEYBREQ-JIMIUWDKSA-N 2 1 370.537 3.846 20 0 FHADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001936 948170611 /nfs/dbraw/zinc/17/06/11/948170611.db2.gz AJUDCKLPEYBREQ-JIMIUWDKSA-N 2 1 370.537 3.846 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCCO1 ZINC000432346523 948179282 /nfs/dbraw/zinc/17/92/82/948179282.db2.gz LPQPKFGTRGYIRA-CYBMUJFWSA-N 2 1 362.848 3.532 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)cc1 ZINC000512025297 948217405 /nfs/dbraw/zinc/21/74/05/948217405.db2.gz LZANHNXHPULJPT-FQEVSTJZSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000512025297 948217415 /nfs/dbraw/zinc/21/74/15/948217415.db2.gz LZANHNXHPULJPT-FQEVSTJZSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000512025297 948217422 /nfs/dbraw/zinc/21/74/22/948217422.db2.gz LZANHNXHPULJPT-FQEVSTJZSA-N 2 1 359.558 3.769 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001167833365 948220612 /nfs/dbraw/zinc/22/06/12/948220612.db2.gz AJTYVMXPDHSBNM-AZUAARDMSA-N 2 1 350.547 3.950 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)o1 ZINC000585716558 948232157 /nfs/dbraw/zinc/23/21/57/948232157.db2.gz YRFSDPYGQGYERH-SFHVURJKSA-N 2 1 373.497 3.590 20 0 FHADMP Cc1cccnc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002435 948237440 /nfs/dbraw/zinc/23/74/40/948237440.db2.gz SGNZFIQDABIAHO-YOFSQIOKSA-N 2 1 355.526 3.639 20 0 FHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)s1 ZINC000512037030 948257050 /nfs/dbraw/zinc/25/70/50/948257050.db2.gz DFONFRLMNYQNGF-LJQANCHMSA-N 2 1 359.539 3.779 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834923 948275049 /nfs/dbraw/zinc/27/50/49/948275049.db2.gz NWGNWJHBGRIDRQ-XLIONFOSSA-N 2 1 355.567 3.734 20 0 FHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045625 948297235 /nfs/dbraw/zinc/29/72/35/948297235.db2.gz NUMPEZXBHRXQRQ-HKUYNNGSSA-N 3 1 372.582 3.595 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836805 948307980 /nfs/dbraw/zinc/30/79/80/948307980.db2.gz HLSAGJUFRNJZQF-ZWKOTPCHSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001167839551 948315315 /nfs/dbraw/zinc/31/53/15/948315315.db2.gz ZYPAMRMZLMXOSN-IPMKNSEASA-N 2 1 367.578 3.686 20 0 FHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512055075 948323295 /nfs/dbraw/zinc/32/32/95/948323295.db2.gz WTYCXMLJYXFXPW-HNNXBMFYSA-N 2 1 366.431 3.713 20 0 FHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512055075 948323301 /nfs/dbraw/zinc/32/33/01/948323301.db2.gz WTYCXMLJYXFXPW-HNNXBMFYSA-N 2 1 366.431 3.713 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167840423 948336285 /nfs/dbraw/zinc/33/62/85/948336285.db2.gz GPGULTHIZIYKNL-MSOLQXFVSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001167840409 948336637 /nfs/dbraw/zinc/33/66/37/948336637.db2.gz GGMGZINNHDLRPV-OKZBNKHCSA-N 2 1 355.567 3.732 20 0 FHADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412365 948358655 /nfs/dbraw/zinc/35/86/55/948358655.db2.gz BPTZOLUHGXQIEJ-CVEARBPZSA-N 2 1 352.544 3.569 20 0 FHADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412365 948358665 /nfs/dbraw/zinc/35/86/65/948358665.db2.gz BPTZOLUHGXQIEJ-CVEARBPZSA-N 2 1 352.544 3.569 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841861 948362450 /nfs/dbraw/zinc/36/24/50/948362450.db2.gz SPXAFVIJXIFTLL-ACIOBRDBSA-N 3 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841861 948362459 /nfs/dbraw/zinc/36/24/59/948362459.db2.gz SPXAFVIJXIFTLL-ACIOBRDBSA-N 2 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841861 948362467 /nfs/dbraw/zinc/36/24/67/948362467.db2.gz SPXAFVIJXIFTLL-ACIOBRDBSA-N 2 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841861 948362476 /nfs/dbraw/zinc/36/24/76/948362476.db2.gz SPXAFVIJXIFTLL-ACIOBRDBSA-N 2 1 357.586 3.951 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841861 948362484 /nfs/dbraw/zinc/36/24/84/948362484.db2.gz SPXAFVIJXIFTLL-ACIOBRDBSA-N 2 1 357.586 3.951 20 0 FHADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414966 948365249 /nfs/dbraw/zinc/36/52/49/948365249.db2.gz AYZXDOYMNHONEG-ZWKOTPCHSA-N 2 1 356.510 4.000 20 0 FHADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414966 948365262 /nfs/dbraw/zinc/36/52/62/948365262.db2.gz AYZXDOYMNHONEG-ZWKOTPCHSA-N 2 1 356.510 4.000 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000432422072 948384060 /nfs/dbraw/zinc/38/40/60/948384060.db2.gz CJDHBONKQNLZND-OAQYLSRUSA-N 2 1 366.549 3.931 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000432422072 948384068 /nfs/dbraw/zinc/38/40/68/948384068.db2.gz CJDHBONKQNLZND-OAQYLSRUSA-N 2 1 366.549 3.931 20 0 FHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422263 948384487 /nfs/dbraw/zinc/38/44/87/948384487.db2.gz DDNOELNRJKVQSH-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422263 948384497 /nfs/dbraw/zinc/38/44/97/948384497.db2.gz DDNOELNRJKVQSH-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422263 948384502 /nfs/dbraw/zinc/38/45/02/948384502.db2.gz DDNOELNRJKVQSH-CRAIPNDOSA-N 2 1 352.906 3.644 20 0 FHADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432422152 948385237 /nfs/dbraw/zinc/38/52/37/948385237.db2.gz SCPALUASJOSDFJ-ICSRJNTNSA-N 2 1 350.572 3.894 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000512089690 948394395 /nfs/dbraw/zinc/39/43/95/948394395.db2.gz SUJHXUIZTYUUAI-UHFFFAOYSA-N 2 1 363.505 3.860 20 0 FHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512099042 948416483 /nfs/dbraw/zinc/41/64/83/948416483.db2.gz LUYIZTJBXUQETP-GFCCVEGCSA-N 2 1 368.344 3.688 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507792803 948531975 /nfs/dbraw/zinc/53/19/75/948531975.db2.gz IDOMNZDZBASBSP-FXAWDEMLSA-N 2 1 358.505 3.893 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000507792803 948531982 /nfs/dbraw/zinc/53/19/82/948531982.db2.gz IDOMNZDZBASBSP-FXAWDEMLSA-N 2 1 358.505 3.893 20 0 FHADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152416010 948593581 /nfs/dbraw/zinc/59/35/81/948593581.db2.gz UOEGFPDYAOISAI-DYVFJYSZSA-N 2 1 365.315 3.737 20 0 FHADMP COCCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179897 948681735 /nfs/dbraw/zinc/68/17/35/948681735.db2.gz NBTXUSHFFKKLQC-FQEVSTJZSA-N 2 1 360.542 3.656 20 0 FHADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179897 948681739 /nfs/dbraw/zinc/68/17/39/948681739.db2.gz NBTXUSHFFKKLQC-FQEVSTJZSA-N 2 1 360.542 3.656 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn4ccccc4n3)CC2)oc1C ZINC000566019916 370704136 /nfs/dbraw/zinc/70/41/36/370704136.db2.gz XCIINWLMCSOPAC-INIZCTEOSA-N 2 1 367.497 3.502 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000161724381 567962493 /nfs/dbraw/zinc/96/24/93/567962493.db2.gz KCKRLLMDWVJUHR-UHFFFAOYSA-N 2 1 369.509 3.514 20 0 FHADMP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517283 568111856 /nfs/dbraw/zinc/11/18/56/568111856.db2.gz NFFAFWDSELBDMH-IBGZPJMESA-N 2 1 354.494 3.581 20 0 FHADMP COc1ccc(COCCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711642 568137940 /nfs/dbraw/zinc/13/79/40/568137940.db2.gz DNZUUIOWOULHJD-TZIWHRDSSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000603711642 568137941 /nfs/dbraw/zinc/13/79/41/568137941.db2.gz DNZUUIOWOULHJD-TZIWHRDSSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000603711642 568137942 /nfs/dbraw/zinc/13/79/42/568137942.db2.gz DNZUUIOWOULHJD-TZIWHRDSSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711642 568137943 /nfs/dbraw/zinc/13/79/43/568137943.db2.gz DNZUUIOWOULHJD-TZIWHRDSSA-N 2 1 360.542 3.798 20 0 FHADMP COc1ccc(COCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711642 568137944 /nfs/dbraw/zinc/13/79/44/568137944.db2.gz DNZUUIOWOULHJD-TZIWHRDSSA-N 2 1 360.542 3.798 20 0 FHADMP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(C)o1 ZINC000603932774 568183394 /nfs/dbraw/zinc/18/33/94/568183394.db2.gz DWCKCKJOMVIXIF-GOSISDBHSA-N 2 1 363.546 3.740 20 0 FHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(C)o1 ZINC000603932774 568183395 /nfs/dbraw/zinc/18/33/95/568183395.db2.gz DWCKCKJOMVIXIF-GOSISDBHSA-N 2 1 363.546 3.740 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000563117071 568220314 /nfs/dbraw/zinc/22/03/14/568220314.db2.gz SLOYUFKLPRZPEN-QFIPXVFZSA-N 2 1 365.521 3.663 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC000563130671 568262365 /nfs/dbraw/zinc/26/23/65/568262365.db2.gz RBPMRCFZWQDOOV-SFHVURJKSA-N 2 1 374.912 3.969 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC000563130671 568262366 /nfs/dbraw/zinc/26/23/66/568262366.db2.gz RBPMRCFZWQDOOV-SFHVURJKSA-N 2 1 374.912 3.969 20 0 FHADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000567871166 568263847 /nfs/dbraw/zinc/26/38/47/568263847.db2.gz USMUMIFMCXQKLE-WDEREUQCSA-N 2 1 354.317 3.788 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410100 607015039 /nfs/dbraw/zinc/01/50/39/607015039.db2.gz DCVQNFFPLCRHSI-GQIGUUNPSA-N 2 1 368.529 3.560 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3ccc(Cl)cc3n2)c2c1CC[NH2+]C2 ZINC001164681993 719629867 /nfs/dbraw/zinc/62/98/67/719629867.db2.gz KRPAGNVIRNJTIY-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3ccc(Cl)cc3n2)c2c1CC[NH2+]C2 ZINC001164681993 719629875 /nfs/dbraw/zinc/62/98/75/719629875.db2.gz KRPAGNVIRNJTIY-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1ccc2c(C)cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)[nH+]c2c1C ZINC001164734859 720525914 /nfs/dbraw/zinc/52/59/14/720525914.db2.gz SGMLLCGMGRWJEO-GOSISDBHSA-N 2 1 363.509 3.555 20 0 FHADMP Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(N)c[nH+]4)CC3)CC2)cc1 ZINC001164769596 721042568 /nfs/dbraw/zinc/04/25/68/721042568.db2.gz WYPJYUJHEIFDRF-UHFFFAOYSA-N 2 1 350.510 3.855 20 0 FHADMP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027679 721800906 /nfs/dbraw/zinc/80/09/06/721800906.db2.gz XGACAQNEJTUVTF-SESVDKBCSA-N 2 1 350.510 3.830 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]21 ZINC001165027180 721803080 /nfs/dbraw/zinc/80/30/80/721803080.db2.gz UDDKZBSJGHKPAS-FBBABVLZSA-N 2 1 361.493 3.695 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165019700 721811608 /nfs/dbraw/zinc/81/16/08/721811608.db2.gz BLLRFOALVBYBLQ-CEWLAPEOSA-N 2 1 350.510 3.830 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165019700 721811609 /nfs/dbraw/zinc/81/16/09/721811609.db2.gz BLLRFOALVBYBLQ-CEWLAPEOSA-N 2 1 350.510 3.830 20 0 FHADMP CCOc1cc[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995274 722198997 /nfs/dbraw/zinc/19/89/97/722198997.db2.gz TWAXQARCFSFOBK-NRFANRHFSA-N 2 1 355.457 3.864 20 0 FHADMP CCOc1cc[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995274 722199000 /nfs/dbraw/zinc/19/90/00/722199000.db2.gz TWAXQARCFSFOBK-NRFANRHFSA-N 2 1 355.457 3.864 20 0 FHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000278011671 936360648 /nfs/dbraw/zinc/36/06/48/936360648.db2.gz PGGDXATXHSALFS-UHFFFAOYSA-N 2 1 368.481 3.527 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019780 936375594 /nfs/dbraw/zinc/37/55/94/936375594.db2.gz HJUXRAKKNXAAHT-WMZOPIPTSA-N 2 1 370.459 3.983 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000583019780 936375597 /nfs/dbraw/zinc/37/55/97/936375597.db2.gz HJUXRAKKNXAAHT-WMZOPIPTSA-N 2 1 370.459 3.983 20 0 FHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000579693371 927116736 /nfs/dbraw/zinc/11/67/36/927116736.db2.gz VHKGLZFKNZKNKV-GGAORHGYSA-N 2 1 360.505 3.840 20 0 FHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000579693371 927116764 /nfs/dbraw/zinc/11/67/64/927116764.db2.gz VHKGLZFKNZKNKV-GGAORHGYSA-N 2 1 360.505 3.840 20 0 FHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141573 927156406 /nfs/dbraw/zinc/15/64/06/927156406.db2.gz YAWMSLYHOFLYCJ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141573 927156417 /nfs/dbraw/zinc/15/64/17/927156417.db2.gz YAWMSLYHOFLYCJ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141573 927156425 /nfs/dbraw/zinc/15/64/25/927156425.db2.gz YAWMSLYHOFLYCJ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141573 927156432 /nfs/dbraw/zinc/15/64/32/927156432.db2.gz YAWMSLYHOFLYCJ-QFIPXVFZSA-N 2 1 354.469 3.932 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000583119503 937139965 /nfs/dbraw/zinc/13/99/65/937139965.db2.gz VYRQZJUABZGLGY-UHFFFAOYSA-N 2 1 362.468 3.703 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000583119503 937139967 /nfs/dbraw/zinc/13/99/67/937139967.db2.gz VYRQZJUABZGLGY-UHFFFAOYSA-N 2 1 362.468 3.703 20 0 FHADMP CC1([NH3+])CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000647530902 927176579 /nfs/dbraw/zinc/17/65/79/927176579.db2.gz NYWPRUNBISYWQR-UHFFFAOYSA-N 2 1 357.885 3.906 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000579776679 927387968 /nfs/dbraw/zinc/38/79/68/927387968.db2.gz ZJCVRQPSJJUHIT-HXUWFJFHSA-N 2 1 352.526 3.653 20 0 FHADMP CN(CC[N@@H+](C)Cc1cc(-c2ccccc2)cs1)C1CC[NH+](C)CC1 ZINC000583170558 937204796 /nfs/dbraw/zinc/20/47/96/937204796.db2.gz DHVUNFKWCMVRBO-UHFFFAOYSA-N 2 1 357.567 3.873 20 0 FHADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591496 927966450 /nfs/dbraw/zinc/96/64/50/927966450.db2.gz NHCGRHMKTYPHDM-APWZRJJASA-N 2 1 369.475 3.521 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000472282207 937222655 /nfs/dbraw/zinc/22/26/55/937222655.db2.gz VOUXZQLBEIVTJZ-KRWDZBQOSA-N 2 1 363.527 3.644 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000472282207 937222659 /nfs/dbraw/zinc/22/26/59/937222659.db2.gz VOUXZQLBEIVTJZ-KRWDZBQOSA-N 2 1 363.527 3.644 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154453216 937223777 /nfs/dbraw/zinc/22/37/77/937223777.db2.gz YZQUNDMYRBKFEX-LJQANCHMSA-N 2 1 365.949 3.561 20 0 FHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000120056295 928200778 /nfs/dbraw/zinc/20/07/78/928200778.db2.gz BTEBDRLDNDZLCG-HOTGVXAUSA-N 2 1 365.587 3.762 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000583198990 937234065 /nfs/dbraw/zinc/23/40/65/937234065.db2.gz SWJNMSBTBARKML-MRXNPFEDSA-N 2 1 351.922 3.913 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2)C1 ZINC001208665941 928378628 /nfs/dbraw/zinc/37/86/28/928378628.db2.gz SUHSFOHJZMVUOR-QZTJIDSGSA-N 2 1 352.563 3.798 20 0 FHADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170846 928505379 /nfs/dbraw/zinc/50/53/79/928505379.db2.gz UKAUFZFLJMSULQ-GOSISDBHSA-N 2 1 371.500 3.649 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000246895987 928721558 /nfs/dbraw/zinc/72/15/58/928721558.db2.gz FQCJFLXNMHYZRC-RBUKOAKNSA-N 2 1 357.542 3.976 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000154515032 928887265 /nfs/dbraw/zinc/88/72/65/928887265.db2.gz GHIZFXLEMNAGFN-MRXNPFEDSA-N 2 1 357.464 3.774 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000037318592 929300395 /nfs/dbraw/zinc/30/03/95/929300395.db2.gz RZDRCWAUQGMPAR-LBPRGKRZSA-N 2 1 353.304 3.735 20 0 FHADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563622616 937324145 /nfs/dbraw/zinc/32/41/45/937324145.db2.gz KOEAEOHUYJRMAT-HZSPNIEDSA-N 2 1 370.324 3.642 20 0 FHADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563622616 937324153 /nfs/dbraw/zinc/32/41/53/937324153.db2.gz KOEAEOHUYJRMAT-HZSPNIEDSA-N 2 1 370.324 3.642 20 0 FHADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC000180139215 929388530 /nfs/dbraw/zinc/38/85/30/929388530.db2.gz YLBDHHDOWPWAJJ-FRIKZZABSA-N 2 1 363.505 3.800 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccnc(Cl)c3)cc2)CC1 ZINC000160322682 929786880 /nfs/dbraw/zinc/78/68/80/929786880.db2.gz LPSMTMTUQUDXPN-KRWDZBQOSA-N 2 1 372.944 3.723 20 0 FHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000583351431 937370053 /nfs/dbraw/zinc/37/00/53/937370053.db2.gz ZIVQPYRIKLTEEQ-MRXNPFEDSA-N 2 1 365.949 3.655 20 0 FHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000583351431 937370055 /nfs/dbraw/zinc/37/00/55/937370055.db2.gz ZIVQPYRIKLTEEQ-MRXNPFEDSA-N 2 1 365.949 3.655 20 0 FHADMP Cc1ccc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1C ZINC001167342457 930035226 /nfs/dbraw/zinc/03/52/26/930035226.db2.gz XYPGDJZINFWAFC-UHFFFAOYSA-N 2 1 351.538 3.553 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4cnccc4c3)c2)CCO1 ZINC000683766765 930093849 /nfs/dbraw/zinc/09/38/49/930093849.db2.gz JAWGHWVDEODJKH-GOSISDBHSA-N 2 1 361.489 3.745 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4cnccc4c3)c2)CCO1 ZINC000683766765 930093857 /nfs/dbraw/zinc/09/38/57/930093857.db2.gz JAWGHWVDEODJKH-GOSISDBHSA-N 2 1 361.489 3.745 20 0 FHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000126470560 937388348 /nfs/dbraw/zinc/38/83/48/937388348.db2.gz PGSUXOTVEZTOAX-LRLLJDFBSA-N 2 1 356.514 3.636 20 0 FHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000126470560 937388352 /nfs/dbraw/zinc/38/83/52/937388352.db2.gz PGSUXOTVEZTOAX-LRLLJDFBSA-N 2 1 356.514 3.636 20 0 FHADMP C[N@@H+](CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCCCC1 ZINC000548063948 930262863 /nfs/dbraw/zinc/26/28/63/930262863.db2.gz QMDFLOCACKABMC-UHFFFAOYSA-N 2 1 357.542 3.918 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+](C)C2CCCCC2)c1 ZINC000548064842 930278817 /nfs/dbraw/zinc/27/88/17/930278817.db2.gz HXAZUVUNAACJDQ-UHFFFAOYSA-N 2 1 359.558 3.798 20 0 FHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548064842 930278825 /nfs/dbraw/zinc/27/88/25/930278825.db2.gz HXAZUVUNAACJDQ-UHFFFAOYSA-N 2 1 359.558 3.798 20 0 FHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548064842 930278835 /nfs/dbraw/zinc/27/88/35/930278835.db2.gz HXAZUVUNAACJDQ-UHFFFAOYSA-N 2 1 359.558 3.798 20 0 FHADMP Cc1ccccc1-c1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000580245250 930396745 /nfs/dbraw/zinc/39/67/45/930396745.db2.gz GVQIXOLVRCSPRZ-UHFFFAOYSA-N 2 1 351.538 3.731 20 0 FHADMP Cc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279446112 930418899 /nfs/dbraw/zinc/41/88/99/930418899.db2.gz XFHMISHKWLZEAE-UHFFFAOYSA-N 2 1 367.940 3.637 20 0 FHADMP Cc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279446112 930418901 /nfs/dbraw/zinc/41/89/01/930418901.db2.gz XFHMISHKWLZEAE-UHFFFAOYSA-N 2 1 367.940 3.637 20 0 FHADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H]1Oc1ccccc1 ZINC000580338835 930524739 /nfs/dbraw/zinc/52/47/39/930524739.db2.gz CUBGTGKEIHKFGB-NHCUHLMSSA-N 2 1 372.553 3.857 20 0 FHADMP C[C@@H]1C[C@H](NCc2ccc([S@](C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000119109273 930681705 /nfs/dbraw/zinc/68/17/05/930681705.db2.gz UQMYKOPMLQLFOP-FLPMJASOSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@H](NCc2ccc([S@](C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000119109273 930681712 /nfs/dbraw/zinc/68/17/12/930681712.db2.gz UQMYKOPMLQLFOP-FLPMJASOSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000119109273 930681714 /nfs/dbraw/zinc/68/17/14/930681714.db2.gz UQMYKOPMLQLFOP-FLPMJASOSA-N 2 1 356.535 3.567 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000119109273 930681717 /nfs/dbraw/zinc/68/17/17/930681717.db2.gz UQMYKOPMLQLFOP-FLPMJASOSA-N 2 1 356.535 3.567 20 0 FHADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(C)c1F ZINC001143380818 930993045 /nfs/dbraw/zinc/99/30/45/930993045.db2.gz XBQVKLHJPXIVRU-RTWAWAEBSA-N 2 1 353.485 3.791 20 0 FHADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(C)c1F ZINC001143380818 930993051 /nfs/dbraw/zinc/99/30/51/930993051.db2.gz XBQVKLHJPXIVRU-RTWAWAEBSA-N 2 1 353.485 3.791 20 0 FHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc(C)c1F ZINC001143380818 930993058 /nfs/dbraw/zinc/99/30/58/930993058.db2.gz XBQVKLHJPXIVRU-RTWAWAEBSA-N 2 1 353.485 3.791 20 0 FHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc(C)c1F ZINC001143380818 930993066 /nfs/dbraw/zinc/99/30/66/930993066.db2.gz XBQVKLHJPXIVRU-RTWAWAEBSA-N 2 1 353.485 3.791 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581101198 931565482 /nfs/dbraw/zinc/56/54/82/931565482.db2.gz WSTRPHHLNHOKBA-XZOQPEGZSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581101198 931565494 /nfs/dbraw/zinc/56/54/94/931565494.db2.gz WSTRPHHLNHOKBA-XZOQPEGZSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581101198 931565501 /nfs/dbraw/zinc/56/55/01/931565501.db2.gz WSTRPHHLNHOKBA-XZOQPEGZSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581101198 931565507 /nfs/dbraw/zinc/56/55/07/931565507.db2.gz WSTRPHHLNHOKBA-XZOQPEGZSA-N 2 1 372.516 3.826 20 0 FHADMP c1ncc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407194 931603375 /nfs/dbraw/zinc/60/33/75/931603375.db2.gz RASLDCXDNNYIKD-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407194 931603379 /nfs/dbraw/zinc/60/33/79/931603379.db2.gz RASLDCXDNNYIKD-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407194 931603381 /nfs/dbraw/zinc/60/33/81/931603381.db2.gz RASLDCXDNNYIKD-NRDMVMEKSA-N 2 1 353.535 3.528 20 0 FHADMP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156443 931718683 /nfs/dbraw/zinc/71/86/83/931718683.db2.gz ZAFNCHNWIQOUHI-FPOVZHCZSA-N 2 1 367.537 3.950 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581255466 931743322 /nfs/dbraw/zinc/74/33/22/931743322.db2.gz IOWMMLIQECQZOG-SJORKVTESA-N 2 1 365.587 3.504 20 0 FHADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157749 931749171 /nfs/dbraw/zinc/74/91/71/931749171.db2.gz SPHIIXRZLSAPHP-SESVDKBCSA-N 2 1 356.510 3.727 20 0 FHADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000430557412 931831782 /nfs/dbraw/zinc/83/17/82/931831782.db2.gz WOFXEBMLHNZSHA-HNNXBMFYSA-N 2 1 351.922 3.605 20 0 FHADMP COC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000581362701 931898269 /nfs/dbraw/zinc/89/82/69/931898269.db2.gz BRCSEOMRTWUDOU-JTDSTZFVSA-N 2 1 354.922 3.507 20 0 FHADMP COc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548160163 931929924 /nfs/dbraw/zinc/92/99/24/931929924.db2.gz CFZOCMYZGWYPTJ-XMSQKQJNSA-N 2 1 354.494 3.574 20 0 FHADMP COc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548160163 931929935 /nfs/dbraw/zinc/92/99/35/931929935.db2.gz CFZOCMYZGWYPTJ-XMSQKQJNSA-N 2 1 354.494 3.574 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc4nonc42)C3)cc1 ZINC001203143182 932293425 /nfs/dbraw/zinc/29/34/25/932293425.db2.gz SYAOTUJXNRYTAR-JOCHJYFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc4nonc42)C3)cc1 ZINC001203143182 932293432 /nfs/dbraw/zinc/29/34/32/932293432.db2.gz SYAOTUJXNRYTAR-JOCHJYFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143182 932293438 /nfs/dbraw/zinc/29/34/38/932293438.db2.gz SYAOTUJXNRYTAR-JOCHJYFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143182 932293440 /nfs/dbraw/zinc/29/34/40/932293440.db2.gz SYAOTUJXNRYTAR-JOCHJYFZSA-N 2 1 362.477 3.711 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167193 932303571 /nfs/dbraw/zinc/30/35/71/932303571.db2.gz WHEJFVHFOLNJQN-WOJBJXKFSA-N 2 1 364.489 3.613 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167193 932303582 /nfs/dbraw/zinc/30/35/82/932303582.db2.gz WHEJFVHFOLNJQN-WOJBJXKFSA-N 2 1 364.489 3.613 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631236 932423043 /nfs/dbraw/zinc/42/30/43/932423043.db2.gz UAPKRKQNINVLRE-MSOLQXFVSA-N 2 1 351.494 3.931 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631236 932423048 /nfs/dbraw/zinc/42/30/48/932423048.db2.gz UAPKRKQNINVLRE-MSOLQXFVSA-N 2 1 351.494 3.931 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)c1OC ZINC000581693887 932512618 /nfs/dbraw/zinc/51/26/18/932512618.db2.gz TYBDZUVQGKMRJD-GOSISDBHSA-N 2 1 369.509 3.925 20 0 FHADMP CCC(CC)(CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000155351287 932579340 /nfs/dbraw/zinc/57/93/40/932579340.db2.gz SEFGHIGHQPEEDJ-UHFFFAOYSA-N 2 1 350.522 3.611 20 0 FHADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](C)C(=O)OC)C2 ZINC001279517703 932628713 /nfs/dbraw/zinc/62/87/13/932628713.db2.gz OJAIHBIXCWXABO-SVFBPWRDSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](C)C(=O)OC)C2 ZINC001279517703 932628719 /nfs/dbraw/zinc/62/87/19/932628719.db2.gz OJAIHBIXCWXABO-SVFBPWRDSA-N 2 1 352.563 3.800 20 0 FHADMP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](C)C(=O)OC)C2 ZINC001279517703 932628725 /nfs/dbraw/zinc/62/87/25/932628725.db2.gz OJAIHBIXCWXABO-SVFBPWRDSA-N 2 1 352.563 3.800 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844103 932731971 /nfs/dbraw/zinc/73/19/71/932731971.db2.gz UURGNVIYDKLYKP-GHTZIAJQSA-N 2 1 369.578 3.749 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844103 932731977 /nfs/dbraw/zinc/73/19/77/932731977.db2.gz UURGNVIYDKLYKP-GHTZIAJQSA-N 2 1 369.578 3.749 20 0 FHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000152677032 932803728 /nfs/dbraw/zinc/80/37/28/932803728.db2.gz CDSOBDJNZUXFQD-UHFFFAOYSA-N 2 1 367.449 3.808 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000647193520 932901568 /nfs/dbraw/zinc/90/15/68/932901568.db2.gz DRDOEVWDMCUWQS-ONTIZHBOSA-N 2 1 372.578 3.828 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000647193520 932901572 /nfs/dbraw/zinc/90/15/72/932901572.db2.gz DRDOEVWDMCUWQS-ONTIZHBOSA-N 2 1 372.578 3.828 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000647200086 932998604 /nfs/dbraw/zinc/99/86/04/932998604.db2.gz HZGZBAGLRAVYDV-QUCCMNQESA-N 2 1 352.526 3.923 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000647200086 932998607 /nfs/dbraw/zinc/99/86/07/932998607.db2.gz HZGZBAGLRAVYDV-QUCCMNQESA-N 2 1 352.526 3.923 20 0 FHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000581941736 933090400 /nfs/dbraw/zinc/09/04/00/933090400.db2.gz BKVUDVBSMZTHPW-MISYRCLQSA-N 2 1 359.558 3.522 20 0 FHADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854959 933154789 /nfs/dbraw/zinc/15/47/89/933154789.db2.gz CPJUATWKYYOETQ-GMAHTHKFSA-N 2 1 365.521 3.817 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000520044837 933157887 /nfs/dbraw/zinc/15/78/87/933157887.db2.gz ZLASNJXNRVWQRA-QPIRBTGLSA-N 2 1 351.579 3.514 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@@H+]1C ZINC000430751413 933202725 /nfs/dbraw/zinc/20/27/25/933202725.db2.gz WAXNTIKNGASZES-REBRKWNGSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@H+]1C ZINC000430751413 933202733 /nfs/dbraw/zinc/20/27/33/933202733.db2.gz WAXNTIKNGASZES-REBRKWNGSA-N 2 1 355.295 3.907 20 0 FHADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430936075 933440267 /nfs/dbraw/zinc/44/02/67/933440267.db2.gz WWDFKFIUIBEVLC-KRWDZBQOSA-N 2 1 367.493 3.737 20 0 FHADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000510698146 933449107 /nfs/dbraw/zinc/44/91/07/933449107.db2.gz DZARRNWGMJZEBK-QGZVFWFLSA-N 2 1 366.496 3.911 20 0 FHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000562986343 933603450 /nfs/dbraw/zinc/60/34/50/933603450.db2.gz AKQQYYGKARWYMU-ZWKOTPCHSA-N 2 1 368.949 3.632 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)C1CC1 ZINC000510738155 933623405 /nfs/dbraw/zinc/62/34/05/933623405.db2.gz SPJLTXPSBNNUSI-FQEVSTJZSA-N 2 1 371.550 3.765 20 0 FHADMP CCC[N@@H+](Cc1cc(Br)cc2cccnc21)C1CC[NH2+]CC1 ZINC000431069606 933780581 /nfs/dbraw/zinc/78/05/81/933780581.db2.gz MKEMMHNVTMGXDE-UHFFFAOYSA-N 2 1 362.315 3.961 20 0 FHADMP COCc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000158531059 934051456 /nfs/dbraw/zinc/05/14/56/934051456.db2.gz CJTOCLBGODWYIY-UHFFFAOYSA-N 2 1 356.485 3.769 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000380427424 934137647 /nfs/dbraw/zinc/13/76/47/934137647.db2.gz JJERJVOOZQIRIG-VQIMIIECSA-N 2 1 370.468 3.613 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000093741689 934170002 /nfs/dbraw/zinc/17/00/02/934170002.db2.gz RLTMZZRTVKMYSO-UHFFFAOYSA-N 2 1 371.569 3.622 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000093741689 934170005 /nfs/dbraw/zinc/17/00/05/934170005.db2.gz RLTMZZRTVKMYSO-UHFFFAOYSA-N 2 1 371.569 3.622 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000510943894 934211892 /nfs/dbraw/zinc/21/18/92/934211892.db2.gz HSCHUUSOSFXMFS-VMXMFDLUSA-N 2 1 372.553 3.855 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000510943894 934211895 /nfs/dbraw/zinc/21/18/95/934211895.db2.gz HSCHUUSOSFXMFS-VMXMFDLUSA-N 2 1 372.553 3.855 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000510943895 934212761 /nfs/dbraw/zinc/21/27/61/934212761.db2.gz HSCHUUSOSFXMFS-ZIBCJSCZSA-N 2 1 372.553 3.855 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000510943895 934212766 /nfs/dbraw/zinc/21/27/66/934212766.db2.gz HSCHUUSOSFXMFS-ZIBCJSCZSA-N 2 1 372.553 3.855 20 0 FHADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+](CC)CC ZINC000535695991 934290652 /nfs/dbraw/zinc/29/06/52/934290652.db2.gz IUSLGORYWFMCGX-OAQYLSRUSA-N 2 1 371.569 3.622 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000535813105 934406386 /nfs/dbraw/zinc/40/63/86/934406386.db2.gz CJPOPKFJPBVEMS-UHFFFAOYSA-N 2 1 355.320 3.707 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000535813105 934406391 /nfs/dbraw/zinc/40/63/91/934406391.db2.gz CJPOPKFJPBVEMS-UHFFFAOYSA-N 2 1 355.320 3.707 20 0 FHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000535818227 934445466 /nfs/dbraw/zinc/44/54/66/934445466.db2.gz DBAGMDVXVSATKH-FQEVSTJZSA-N 2 1 369.553 3.918 20 0 FHADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535833986 934571760 /nfs/dbraw/zinc/57/17/60/934571760.db2.gz DQRGLZKXTXRKOQ-MRXNPFEDSA-N 2 1 365.587 3.715 20 0 FHADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1C[NH+](C)C ZINC000458284752 934591453 /nfs/dbraw/zinc/59/14/53/934591453.db2.gz NPELPLDJESDFSV-OAQYLSRUSA-N 2 1 369.484 3.799 20 0 FHADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1C[NH+](C)C ZINC000458284752 934591458 /nfs/dbraw/zinc/59/14/58/934591458.db2.gz NPELPLDJESDFSV-OAQYLSRUSA-N 2 1 369.484 3.799 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181210591 934600998 /nfs/dbraw/zinc/60/09/98/934600998.db2.gz WMUWYBUQQGLIIA-QGZVFWFLSA-N 2 1 359.514 3.959 20 0 FHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000090464267 934662085 /nfs/dbraw/zinc/66/20/85/934662085.db2.gz SLVSGAFDFVVMMM-DUXKGJEZSA-N 2 1 361.574 3.553 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000090464519 934671515 /nfs/dbraw/zinc/67/15/15/934671515.db2.gz XMCZLYHOQFRNRZ-IERDGZPVSA-N 2 1 366.509 3.765 20 0 FHADMP CCc1noc(CC)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151151342 934760117 /nfs/dbraw/zinc/76/01/17/934760117.db2.gz IRRVLORAHMSBBR-UHFFFAOYSA-N 2 1 370.541 3.620 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CC[C@H](c4[nH+]ccn4C)C3)c2cc1OCC ZINC000535915791 934786152 /nfs/dbraw/zinc/78/61/52/934786152.db2.gz WVVCUJTWDFFVKK-HNNXBMFYSA-N 2 1 366.465 3.760 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cc1 ZINC000151511041 934791958 /nfs/dbraw/zinc/79/19/58/934791958.db2.gz KGHXXAAOTVWSFP-INIZCTEOSA-N 2 1 358.449 3.612 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014775 934891880 /nfs/dbraw/zinc/89/18/80/934891880.db2.gz XSDNKAMALUJUOV-UXHICEINSA-N 2 1 371.569 3.655 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000511017286 934908981 /nfs/dbraw/zinc/90/89/81/934908981.db2.gz YPVMQPSTWCSRIB-LJQANCHMSA-N 2 1 365.512 3.606 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000511017286 934908982 /nfs/dbraw/zinc/90/89/82/934908982.db2.gz YPVMQPSTWCSRIB-LJQANCHMSA-N 2 1 365.512 3.606 20 0 FHADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 ZINC000657285328 934939050 /nfs/dbraw/zinc/93/90/50/934939050.db2.gz CTJUHISLJAVLKI-QHCPKHFHSA-N 2 1 366.505 3.609 20 0 FHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887085 934968477 /nfs/dbraw/zinc/96/84/77/934968477.db2.gz XFNZOLVZNVVVIX-APWZRJJASA-N 2 1 371.550 3.605 20 0 FHADMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000657292986 934973662 /nfs/dbraw/zinc/97/36/62/934973662.db2.gz HNCLCEAYMKJLJS-UHFFFAOYSA-N 2 1 354.494 3.516 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000537969299 934993238 /nfs/dbraw/zinc/99/32/38/934993238.db2.gz SVJWVGSTOOAZCM-OWCLPIDISA-N 2 1 369.347 3.989 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494241 935090086 /nfs/dbraw/zinc/09/00/86/935090086.db2.gz HVYHIUWFGREOEX-VQIMIIECSA-N 2 1 366.509 3.995 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494241 935090088 /nfs/dbraw/zinc/09/00/88/935090088.db2.gz HVYHIUWFGREOEX-VQIMIIECSA-N 2 1 366.509 3.995 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494241 935090095 /nfs/dbraw/zinc/09/00/95/935090095.db2.gz HVYHIUWFGREOEX-VQIMIIECSA-N 2 1 366.509 3.995 20 0 FHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657313144 935116514 /nfs/dbraw/zinc/11/65/14/935116514.db2.gz GCXNVKNMKYYQFX-ROUUACIJSA-N 2 1 367.541 3.771 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657337875 935265633 /nfs/dbraw/zinc/26/56/33/935265633.db2.gz DXVYUYGTEZJZND-CYBMUJFWSA-N 2 1 372.460 3.502 20 0 FHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657337875 935265636 /nfs/dbraw/zinc/26/56/36/935265636.db2.gz DXVYUYGTEZJZND-CYBMUJFWSA-N 2 1 372.460 3.502 20 0 FHADMP C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192985 935391738 /nfs/dbraw/zinc/39/17/38/935391738.db2.gz ZYWBKRMJVGMUOT-FPOVZHCZSA-N 2 1 371.569 3.685 20 0 FHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000519078247 945104146 /nfs/dbraw/zinc/10/41/46/945104146.db2.gz HWHBETADTYFWMO-MOPGFXCFSA-N 2 1 374.573 3.591 20 0 FHADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2ccc(Br)cc2)CC1 ZINC001207285418 935512842 /nfs/dbraw/zinc/51/28/42/935512842.db2.gz JXMYBADJTQBGKP-UHFFFAOYSA-N 2 1 369.347 3.880 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398786 935556556 /nfs/dbraw/zinc/55/65/56/935556556.db2.gz MSQBQDPVAVHZHS-ROUUACIJSA-N 2 1 352.526 3.539 20 0 FHADMP CCCC[C@H](C[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429611682 945109008 /nfs/dbraw/zinc/10/90/08/945109008.db2.gz OVNCLURWPMWBGD-OAQYLSRUSA-N 2 1 353.510 3.566 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963992 945113801 /nfs/dbraw/zinc/11/38/01/945113801.db2.gz WCLNZGOHDFSLPG-SFHLNBCPSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000439963992 945113809 /nfs/dbraw/zinc/11/38/09/945113809.db2.gz WCLNZGOHDFSLPG-SFHLNBCPSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000439963992 945113814 /nfs/dbraw/zinc/11/38/14/945113814.db2.gz WCLNZGOHDFSLPG-SFHLNBCPSA-N 2 1 361.574 3.506 20 0 FHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)C1 ZINC000582413943 935668154 /nfs/dbraw/zinc/66/81/54/935668154.db2.gz NEEJGRRUZMTNNA-FQEVSTJZSA-N 2 1 369.553 3.586 20 0 FHADMP CCCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657433246 935723305 /nfs/dbraw/zinc/72/33/05/935723305.db2.gz YSLFWZBNSNLDQO-BAGYTPMASA-N 2 1 352.526 3.683 20 0 FHADMP Clc1ccc(OCc2cccnc2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262069967 945127045 /nfs/dbraw/zinc/12/70/45/945127045.db2.gz RXYVBRCKEAXQRJ-UHFFFAOYSA-N 2 1 371.912 3.890 20 0 FHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc4occc4c3)CC2)C[C@@H](C)O1 ZINC000582573812 935843557 /nfs/dbraw/zinc/84/35/57/935843557.db2.gz UXIYUNBSIRBLPY-QZTJIDSGSA-N 2 1 372.509 3.523 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586066 935846294 /nfs/dbraw/zinc/84/62/94/935846294.db2.gz GXYKNDASPNONHT-QZTJIDSGSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586066 935846297 /nfs/dbraw/zinc/84/62/97/935846297.db2.gz GXYKNDASPNONHT-QZTJIDSGSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586066 935846301 /nfs/dbraw/zinc/84/63/01/935846301.db2.gz GXYKNDASPNONHT-QZTJIDSGSA-N 2 1 355.567 3.876 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000582591759 935855795 /nfs/dbraw/zinc/85/57/95/935855795.db2.gz LBOJNTDDNVQFKZ-CABCVRRESA-N 2 1 371.447 3.744 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000582606800 935865778 /nfs/dbraw/zinc/86/57/78/935865778.db2.gz XEOLYVHYWGLLKD-NVXWUHKLSA-N 2 1 363.933 3.605 20 0 FHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152863354 935872630 /nfs/dbraw/zinc/87/26/30/935872630.db2.gz ZYOFGPLNNNQLOB-MOPGFXCFSA-N 2 1 367.537 3.879 20 0 FHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152863447 935872811 /nfs/dbraw/zinc/87/28/11/935872811.db2.gz ZYOFGPLNNNQLOB-OALUTQOASA-N 2 1 367.537 3.879 20 0 FHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000582648419 935906515 /nfs/dbraw/zinc/90/65/15/935906515.db2.gz RQPSVNWKLUMSCQ-WIYYLYMNSA-N 2 1 368.521 3.889 20 0 FHADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000582648419 935906518 /nfs/dbraw/zinc/90/65/18/935906518.db2.gz RQPSVNWKLUMSCQ-WIYYLYMNSA-N 2 1 368.521 3.889 20 0 FHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439970900 945133873 /nfs/dbraw/zinc/13/38/73/945133873.db2.gz ILQXDCIWZIUZPC-GCJKJVERSA-N 2 1 369.553 3.735 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCc1ccccc1 ZINC000582666422 935924294 /nfs/dbraw/zinc/92/42/94/935924294.db2.gz RBFNVGZDYIADTI-QHCPKHFHSA-N 2 1 366.505 3.850 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCc1ccccc1 ZINC000582666422 935924298 /nfs/dbraw/zinc/92/42/98/935924298.db2.gz RBFNVGZDYIADTI-QHCPKHFHSA-N 2 1 366.505 3.850 20 0 FHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439970899 945133950 /nfs/dbraw/zinc/13/39/50/945133950.db2.gz ILQXDCIWZIUZPC-AVRDEDQJSA-N 2 1 369.553 3.735 20 0 FHADMP C[C@@H](C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594920 936075687 /nfs/dbraw/zinc/07/56/87/936075687.db2.gz FJMKGPVMBUDJMZ-HRAATJIYSA-N 2 1 358.913 3.800 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338852 938249354 /nfs/dbraw/zinc/24/93/54/938249354.db2.gz ZWQZNDNEUYLUAU-JTSKRJEESA-N 2 1 351.494 3.788 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338852 938249356 /nfs/dbraw/zinc/24/93/56/938249356.db2.gz ZWQZNDNEUYLUAU-JTSKRJEESA-N 2 1 351.494 3.788 20 0 FHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000564414822 938254855 /nfs/dbraw/zinc/25/48/55/938254855.db2.gz NXZSCEMIOMZSMV-VZVUQDNOSA-N 2 1 368.468 3.782 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000472288338 938265390 /nfs/dbraw/zinc/26/53/90/938265390.db2.gz VFWNQTMZNPKSSH-LJQANCHMSA-N 2 1 357.498 3.583 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000650706430 938285901 /nfs/dbraw/zinc/28/59/01/938285901.db2.gz KNVJYUSJXPENFW-LMMKCTJWSA-N 2 1 357.523 3.528 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000650708348 938288219 /nfs/dbraw/zinc/28/82/19/938288219.db2.gz YFQAZXPSSSVRAP-CKEIUWERSA-N 2 1 360.395 3.563 20 0 FHADMP CCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1OC(F)F ZINC000650718850 938306581 /nfs/dbraw/zinc/30/65/81/938306581.db2.gz XWFQQJNDBOTEHH-UHFFFAOYSA-N 2 1 354.372 3.574 20 0 FHADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(C)c1OC(F)F ZINC000650721837 938310354 /nfs/dbraw/zinc/31/03/54/938310354.db2.gz CWPRIHSOKPDPCE-RCCFBDPRSA-N 2 1 368.468 3.766 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OC3CCCC3)c2)C1 ZINC000650721935 938310410 /nfs/dbraw/zinc/31/04/10/938310410.db2.gz GMMGIZRIRGRDKU-COPCDDAFSA-N 2 1 358.526 3.869 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723963 938311092 /nfs/dbraw/zinc/31/10/92/938311092.db2.gz WFFXXRHAJFEJIP-HYVNUMGLSA-N 2 1 360.395 3.705 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000650723963 938311093 /nfs/dbraw/zinc/31/10/93/938311093.db2.gz WFFXXRHAJFEJIP-HYVNUMGLSA-N 2 1 360.395 3.705 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@H+]1C1CC1 ZINC000657774506 938313980 /nfs/dbraw/zinc/31/39/80/938313980.db2.gz ZHPZQBATJJWEDP-NRSPTQNISA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774506 938313985 /nfs/dbraw/zinc/31/39/85/938313985.db2.gz ZHPZQBATJJWEDP-NRSPTQNISA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[NH+]1C1CC1 ZINC000657774506 938313988 /nfs/dbraw/zinc/31/39/88/938313988.db2.gz ZHPZQBATJJWEDP-NRSPTQNISA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774506 938313991 /nfs/dbraw/zinc/31/39/91/938313991.db2.gz ZHPZQBATJJWEDP-NRSPTQNISA-N 2 1 353.554 3.504 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CN1C1CC1 ZINC000657774506 938313994 /nfs/dbraw/zinc/31/39/94/938313994.db2.gz ZHPZQBATJJWEDP-NRSPTQNISA-N 2 1 353.554 3.504 20 0 FHADMP CCc1ccc2c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)oc2c1 ZINC000728571669 938333833 /nfs/dbraw/zinc/33/38/33/938333833.db2.gz JXFLSUSYRAJGNN-UHFFFAOYSA-N 2 1 356.510 3.908 20 0 FHADMP Brc1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]3)s2)cc1 ZINC000414900013 945168961 /nfs/dbraw/zinc/16/89/61/945168961.db2.gz CTTHSPOUKPLLDV-CQSZACIVSA-N 2 1 366.328 3.804 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000536158660 938478448 /nfs/dbraw/zinc/47/84/48/938478448.db2.gz PKOPIGNYCWQOTP-NQIIRXRSSA-N 2 1 362.533 3.875 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000583922391 938487778 /nfs/dbraw/zinc/48/77/78/938487778.db2.gz PAUGLSPOTUTOEA-JBJBFBLISA-N 2 1 352.522 3.966 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000583922391 938487780 /nfs/dbraw/zinc/48/77/80/938487780.db2.gz PAUGLSPOTUTOEA-JBJBFBLISA-N 2 1 352.522 3.966 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc2ccncc2s1 ZINC000657824141 938579547 /nfs/dbraw/zinc/57/95/47/938579547.db2.gz RFGQMMNFWSAXMT-INIZCTEOSA-N 2 1 367.518 3.979 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000569640773 938612407 /nfs/dbraw/zinc/61/24/07/938612407.db2.gz KEAKJFPBLQMQMW-RXVVDRJESA-N 2 1 362.521 3.987 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000569640773 938612408 /nfs/dbraw/zinc/61/24/08/938612408.db2.gz KEAKJFPBLQMQMW-RXVVDRJESA-N 2 1 362.521 3.987 20 0 FHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000562579981 938643526 /nfs/dbraw/zinc/64/35/26/938643526.db2.gz IVZBUCOPWXDCHU-ROUUACIJSA-N 2 1 372.475 3.780 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000562579981 938643528 /nfs/dbraw/zinc/64/35/28/938643528.db2.gz IVZBUCOPWXDCHU-ROUUACIJSA-N 2 1 372.475 3.780 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000562579981 938643530 /nfs/dbraw/zinc/64/35/30/938643530.db2.gz IVZBUCOPWXDCHU-ROUUACIJSA-N 2 1 372.475 3.780 20 0 FHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000562579981 938643532 /nfs/dbraw/zinc/64/35/32/938643532.db2.gz IVZBUCOPWXDCHU-ROUUACIJSA-N 2 1 372.475 3.780 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2F)[C@H](C)C1 ZINC000151857391 938776630 /nfs/dbraw/zinc/77/66/30/938776630.db2.gz NVLIOWNTCPKVSZ-QINHECLXSA-N 2 1 354.485 3.795 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000584380942 938782120 /nfs/dbraw/zinc/78/21/20/938782120.db2.gz ZNWMXGCSDHDAGR-STZQEDGTSA-N 2 1 350.506 3.799 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000584380942 938782123 /nfs/dbraw/zinc/78/21/23/938782123.db2.gz ZNWMXGCSDHDAGR-STZQEDGTSA-N 2 1 350.506 3.799 20 0 FHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081659418 938796335 /nfs/dbraw/zinc/79/63/35/938796335.db2.gz NRFPFMJJQHNBSF-NRFANRHFSA-N 2 1 369.484 3.533 20 0 FHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081659418 938796336 /nfs/dbraw/zinc/79/63/36/938796336.db2.gz NRFPFMJJQHNBSF-NRFANRHFSA-N 2 1 369.484 3.533 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853083 938805796 /nfs/dbraw/zinc/80/57/96/938805796.db2.gz ZBQYHJULBCUDSH-IRXDYDNUSA-N 2 1 365.477 3.899 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc2cnccc2o1 ZINC000657853083 938805801 /nfs/dbraw/zinc/80/58/01/938805801.db2.gz ZBQYHJULBCUDSH-IRXDYDNUSA-N 2 1 365.477 3.899 20 0 FHADMP Cn1ncc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1C1CC1 ZINC000892379596 938811220 /nfs/dbraw/zinc/81/12/20/938811220.db2.gz GNQOIAPNZVCTOL-UHFFFAOYSA-N 2 1 367.541 3.688 20 0 FHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nnc(C4CC4)s3)cc2)CC1 ZINC000892379878 938823419 /nfs/dbraw/zinc/82/34/19/938823419.db2.gz JPWUFOMEYYGWJM-UHFFFAOYSA-N 2 1 371.554 3.806 20 0 FHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000584426375 938860429 /nfs/dbraw/zinc/86/04/29/938860429.db2.gz NGJBTBTUPJZZMX-YTFSRNRJSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000584426375 938860430 /nfs/dbraw/zinc/86/04/30/938860430.db2.gz NGJBTBTUPJZZMX-YTFSRNRJSA-N 3 1 367.537 3.874 20 0 FHADMP C[NH+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000584426375 938860433 /nfs/dbraw/zinc/86/04/33/938860433.db2.gz NGJBTBTUPJZZMX-YTFSRNRJSA-N 3 1 367.537 3.874 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000090542884 938880113 /nfs/dbraw/zinc/88/01/13/938880113.db2.gz UHRXQGIEURUATP-CWJKEVGVSA-N 2 1 360.567 3.684 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000090542884 938880116 /nfs/dbraw/zinc/88/01/16/938880116.db2.gz UHRXQGIEURUATP-CWJKEVGVSA-N 2 1 360.567 3.684 20 0 FHADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000090806990 938882817 /nfs/dbraw/zinc/88/28/17/938882817.db2.gz OEVIIVTXOGBTEJ-SIKLNZKXSA-N 2 1 368.521 3.855 20 0 FHADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000090806990 938882819 /nfs/dbraw/zinc/88/28/19/938882819.db2.gz OEVIIVTXOGBTEJ-SIKLNZKXSA-N 2 1 368.521 3.855 20 0 FHADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091306492 938899453 /nfs/dbraw/zinc/89/94/53/938899453.db2.gz FCGKKAVDFOGXNB-GOSISDBHSA-N 2 1 358.448 3.839 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccc(Br)cc1)C(C)C ZINC000657863466 938901366 /nfs/dbraw/zinc/90/13/66/938901366.db2.gz JEXZPHIECNRGGZ-QGZVFWFLSA-N 2 1 350.304 3.811 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC(CF)(CF)C3)CC2)cs1 ZINC000657881488 938967497 /nfs/dbraw/zinc/96/74/97/938967497.db2.gz SYOADFHJSDNYHO-UHFFFAOYSA-N 2 1 357.514 3.595 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885725 938971109 /nfs/dbraw/zinc/97/11/09/938971109.db2.gz GZXYXOFSQFQMSE-KKSFZXQISA-N 2 1 367.518 3.584 20 0 FHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885725 938971110 /nfs/dbraw/zinc/97/11/10/938971110.db2.gz GZXYXOFSQFQMSE-KKSFZXQISA-N 2 1 367.518 3.584 20 0 FHADMP CCc1noc(C2CCC([NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)CC2)n1 ZINC000647344479 938979190 /nfs/dbraw/zinc/97/91/90/938979190.db2.gz RMCPWHSJJOYDON-NBDWZHNGSA-N 2 1 368.525 3.593 20 0 FHADMP C[C@H]([NH2+][C@H]1CCc2cc(O)ccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685429415 938986495 /nfs/dbraw/zinc/98/64/95/938986495.db2.gz JPPLRZNTFLTLDA-WTOYTKOKSA-N 2 1 350.506 3.750 20 0 FHADMP c1cc2c(cccc2C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000685441913 938986748 /nfs/dbraw/zinc/98/67/48/938986748.db2.gz FGBRIWCFYGDCSF-QFIPXVFZSA-N 2 1 374.532 3.560 20 0 FHADMP CC(C)CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457304 938987968 /nfs/dbraw/zinc/98/79/68/938987968.db2.gz VQHZMUFGHYCMBL-JOCHJYFZSA-N 2 1 373.585 3.712 20 0 FHADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000685458061 938987998 /nfs/dbraw/zinc/98/79/98/938987998.db2.gz ZPTTUPSVDZDXSO-RJGXRXQPSA-N 2 1 355.570 3.597 20 0 FHADMP C[N@H+]([C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458064 938988072 /nfs/dbraw/zinc/98/80/72/938988072.db2.gz ZPTTUPSVDZDXSO-XPWALMASSA-N 2 1 355.570 3.597 20 0 FHADMP COc1cc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)ccc1OC(F)F ZINC000163409599 939001440 /nfs/dbraw/zinc/00/14/40/939001440.db2.gz XYYODUAXLABZDJ-HNNXBMFYSA-N 2 1 354.441 3.745 20 0 FHADMP COc1cc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)ccc1OC(F)F ZINC000163409599 939001441 /nfs/dbraw/zinc/00/14/41/939001441.db2.gz XYYODUAXLABZDJ-HNNXBMFYSA-N 2 1 354.441 3.745 20 0 FHADMP COc1cc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1OC(F)F ZINC000163409599 939001442 /nfs/dbraw/zinc/00/14/42/939001442.db2.gz XYYODUAXLABZDJ-HNNXBMFYSA-N 2 1 354.441 3.745 20 0 FHADMP COc1cc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)ccc1OC(F)F ZINC000163409599 939001443 /nfs/dbraw/zinc/00/14/43/939001443.db2.gz XYYODUAXLABZDJ-HNNXBMFYSA-N 2 1 354.441 3.745 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1O ZINC000685646855 939007715 /nfs/dbraw/zinc/00/77/15/939007715.db2.gz UFSSPNLYRPDXCD-MJGOQNOKSA-N 2 1 354.494 3.616 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000685646855 939007716 /nfs/dbraw/zinc/00/77/16/939007716.db2.gz UFSSPNLYRPDXCD-MJGOQNOKSA-N 2 1 354.494 3.616 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023063 939019169 /nfs/dbraw/zinc/01/91/69/939019169.db2.gz IWVOLJKASZFJOQ-RTWAWAEBSA-N 2 1 374.594 3.791 20 0 FHADMP C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000658041848 939019779 /nfs/dbraw/zinc/01/97/79/939019779.db2.gz JSOFFNJQZDTMCP-BJZITVGISA-N 2 1 374.326 3.840 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000658041848 939019780 /nfs/dbraw/zinc/01/97/80/939019780.db2.gz JSOFFNJQZDTMCP-BJZITVGISA-N 2 1 374.326 3.840 20 0 FHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137055 939030532 /nfs/dbraw/zinc/03/05/32/939030532.db2.gz IRBXXWOCLRFUOE-NQSCKRDGSA-N 2 1 350.506 3.900 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3c3ccc(F)cc3)cc2)C1 ZINC000658143486 939036687 /nfs/dbraw/zinc/03/66/87/939036687.db2.gz YVNCYRIJDKEAFD-ZLNRFVROSA-N 2 1 368.496 3.818 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143459 939036753 /nfs/dbraw/zinc/03/67/53/939036753.db2.gz YJUWEDRRAVZIAR-RXVVDRJESA-N 2 1 360.448 3.772 20 0 FHADMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@@H]1c1ccccc1 ZINC000658138057 939040491 /nfs/dbraw/zinc/04/04/91/939040491.db2.gz MKLJYORGODUKBW-KEIZBESESA-N 2 1 350.506 3.535 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137604 939040537 /nfs/dbraw/zinc/04/05/37/939040537.db2.gz KMWQNPLHTMWVSD-LADGPHEKSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137604 939040540 /nfs/dbraw/zinc/04/05/40/939040540.db2.gz KMWQNPLHTMWVSD-LADGPHEKSA-N 2 1 373.500 3.527 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)C1 ZINC000658137604 939040543 /nfs/dbraw/zinc/04/05/43/939040543.db2.gz KMWQNPLHTMWVSD-LADGPHEKSA-N 2 1 373.500 3.527 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138055 939040585 /nfs/dbraw/zinc/04/05/85/939040585.db2.gz MJIFFCCTMWSULA-ZMVGRULKSA-N 2 1 350.506 3.535 20 0 FHADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658138190 939042250 /nfs/dbraw/zinc/04/22/50/939042250.db2.gz NBPVHTDGKWOCQJ-FGZHOGPDSA-N 2 1 353.510 3.525 20 0 FHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)[C@H](C)C2 ZINC000658139390 939043550 /nfs/dbraw/zinc/04/35/50/939043550.db2.gz QDZBBALSNIRTIS-FRGLQRNOSA-N 2 1 350.506 3.585 20 0 FHADMP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000658178757 939050665 /nfs/dbraw/zinc/05/06/65/939050665.db2.gz VFAKCRKKMROFCR-INIZCTEOSA-N 2 1 360.448 3.986 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658212240 939065238 /nfs/dbraw/zinc/06/52/38/939065238.db2.gz JMYWYTOTBDGFJH-ILWGZMRPSA-N 2 1 364.537 3.688 20 0 FHADMP Brc1ccc(CC2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000658208999 939069599 /nfs/dbraw/zinc/06/95/99/939069599.db2.gz MZLOHTMNHHFIFS-UHFFFAOYSA-N 2 1 363.343 3.988 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000658268111 939088079 /nfs/dbraw/zinc/08/80/79/939088079.db2.gz YSGKPIOWEWMHIY-GOSISDBHSA-N 2 1 366.553 3.873 20 0 FHADMP CC(C)[C@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658289267 939098525 /nfs/dbraw/zinc/09/85/25/939098525.db2.gz YPWVLUDQAWVCLQ-PKTZIBPZSA-N 2 1 352.522 3.999 20 0 FHADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319250 939109787 /nfs/dbraw/zinc/10/97/87/939109787.db2.gz YJTYRMXZXPDTHH-FXAWDEMLSA-N 2 1 350.510 3.738 20 0 FHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319728 939110333 /nfs/dbraw/zinc/11/03/33/939110333.db2.gz HJCWHZQCMWOAHE-UGKGYDQZSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319728 939110334 /nfs/dbraw/zinc/11/03/34/939110334.db2.gz HJCWHZQCMWOAHE-UGKGYDQZSA-N 2 1 355.570 3.609 20 0 FHADMP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319496 939111199 /nfs/dbraw/zinc/11/11/99/939111199.db2.gz CVDXVOUTZVUXHF-UYAOXDASSA-N 2 1 350.510 3.738 20 0 FHADMP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319496 939111200 /nfs/dbraw/zinc/11/12/00/939111200.db2.gz CVDXVOUTZVUXHF-UYAOXDASSA-N 2 1 350.510 3.738 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319465 939111213 /nfs/dbraw/zinc/11/12/13/939111213.db2.gz BSVSFBBMLDZJRL-PMACEKPBSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccn(C)n1 ZINC000658319465 939111216 /nfs/dbraw/zinc/11/12/16/939111216.db2.gz BSVSFBBMLDZJRL-PMACEKPBSA-N 2 1 352.526 3.763 20 0 FHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)c1 ZINC000421826779 939123153 /nfs/dbraw/zinc/12/31/53/939123153.db2.gz USANBHWGPLOCFB-PKOBYXMFSA-N 2 1 355.551 3.892 20 0 FHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)c1 ZINC000421826779 939123155 /nfs/dbraw/zinc/12/31/55/939123155.db2.gz USANBHWGPLOCFB-PKOBYXMFSA-N 2 1 355.551 3.892 20 0 FHADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366512 939133943 /nfs/dbraw/zinc/13/39/43/939133943.db2.gz RNDRSPWZRHFIQR-GMAHTHKFSA-N 2 1 365.521 3.817 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507459707 945249379 /nfs/dbraw/zinc/24/93/79/945249379.db2.gz GUIRTORZJWAVHS-XXTHSBEZSA-N 3 1 357.586 3.997 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507459705 945249678 /nfs/dbraw/zinc/24/96/78/945249678.db2.gz GUIRTORZJWAVHS-KZKAQZJJSA-N 3 1 357.586 3.997 20 0 FHADMP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507472092 945257546 /nfs/dbraw/zinc/25/75/46/945257546.db2.gz QHTAFLSTIOHJJF-BRWVUGGUSA-N 2 1 358.473 3.782 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@H]21 ZINC000375836173 939957599 /nfs/dbraw/zinc/95/75/99/939957599.db2.gz BJKWVRZFPTYKPA-JENIJYKNSA-N 2 1 356.539 3.600 20 0 FHADMP CCc1cccnc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000507503542 945285609 /nfs/dbraw/zinc/28/56/09/945285609.db2.gz AFYSRLXOEQZOPW-UGKGYDQZSA-N 2 1 366.553 3.673 20 0 FHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991818 945311392 /nfs/dbraw/zinc/31/13/92/945311392.db2.gz XTDCFNMHQCUAFU-YADHBBJMSA-N 2 1 372.553 3.607 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497385 940375498 /nfs/dbraw/zinc/37/54/98/940375498.db2.gz FJJSDRVVQNMNFN-QUCCMNQESA-N 2 1 354.542 3.788 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647497385 940375502 /nfs/dbraw/zinc/37/55/02/940375502.db2.gz FJJSDRVVQNMNFN-QUCCMNQESA-N 2 1 354.542 3.788 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497812 940377453 /nfs/dbraw/zinc/37/74/53/940377453.db2.gz WBMQCOGWPFXFFH-XLIONFOSSA-N 2 1 364.493 4.000 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497812 940377455 /nfs/dbraw/zinc/37/74/55/940377455.db2.gz WBMQCOGWPFXFFH-XLIONFOSSA-N 2 1 364.493 4.000 20 0 FHADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1[NH3+] ZINC000647497608 940381069 /nfs/dbraw/zinc/38/10/69/940381069.db2.gz NRWAIZBSWWHTCD-SJLPKXTDSA-N 2 1 366.431 3.509 20 0 FHADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1[NH3+] ZINC000647497608 940381077 /nfs/dbraw/zinc/38/10/77/940381077.db2.gz NRWAIZBSWWHTCD-SJLPKXTDSA-N 2 1 366.431 3.509 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c(C)n2n1 ZINC000376162184 940392195 /nfs/dbraw/zinc/39/21/95/940392195.db2.gz LNQOYLKWIXUTIZ-BPXKWBHBSA-N 2 1 363.509 3.690 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000376164786 940397857 /nfs/dbraw/zinc/39/78/57/940397857.db2.gz WTZLAVBFTYCEDU-BUKVSMQUSA-N 2 1 351.494 3.989 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054394 940462298 /nfs/dbraw/zinc/46/22/98/940462298.db2.gz BLGUJSFYZBFBSU-FPOVZHCZSA-N 2 1 363.977 3.983 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057398 940465615 /nfs/dbraw/zinc/46/56/15/940465615.db2.gz FQZZSUDNEOFRLQ-ZWKOTPCHSA-N 2 1 352.526 3.912 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414057398 940465616 /nfs/dbraw/zinc/46/56/16/940465616.db2.gz FQZZSUDNEOFRLQ-ZWKOTPCHSA-N 2 1 352.526 3.912 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414060239 940469416 /nfs/dbraw/zinc/46/94/16/940469416.db2.gz ASVYWOGMDOXDMG-MJGOQNOKSA-N 2 1 350.934 3.803 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431749232 940469544 /nfs/dbraw/zinc/46/95/44/940469544.db2.gz BPQLWZNKIBPLDH-ZVDOUQERSA-N 2 1 359.558 3.554 20 0 FHADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(Br)s1 ZINC000425895526 945323391 /nfs/dbraw/zinc/32/33/91/945323391.db2.gz JOKDRIXRFHCQKV-SNVBAGLBSA-N 2 1 370.316 3.816 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431764030 940481725 /nfs/dbraw/zinc/48/17/25/940481725.db2.gz YKIPERPOPXEWJW-DENIHFKCSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431764030 940481726 /nfs/dbraw/zinc/48/17/26/940481726.db2.gz YKIPERPOPXEWJW-DENIHFKCSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431764030 940481728 /nfs/dbraw/zinc/48/17/28/940481728.db2.gz YKIPERPOPXEWJW-DENIHFKCSA-N 2 1 371.569 3.799 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414088651 940494240 /nfs/dbraw/zinc/49/42/40/940494240.db2.gz CDVASCHEEYXWEQ-WFXMLNOXSA-N 2 1 353.510 3.664 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414088651 940494241 /nfs/dbraw/zinc/49/42/41/940494241.db2.gz CDVASCHEEYXWEQ-WFXMLNOXSA-N 2 1 353.510 3.664 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000414090478 940495775 /nfs/dbraw/zinc/49/57/75/940495775.db2.gz DERAOCGUHBBKRB-ZWKOTPCHSA-N 2 1 360.546 3.634 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000414090476 940495779 /nfs/dbraw/zinc/49/57/79/940495779.db2.gz DERAOCGUHBBKRB-ROUUACIJSA-N 2 1 360.546 3.634 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115327 940603438 /nfs/dbraw/zinc/60/34/38/940603438.db2.gz MVAOURFIRIHBOK-PZJWPPBQSA-N 2 1 363.977 3.983 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000519360239 945337571 /nfs/dbraw/zinc/33/75/71/945337571.db2.gz TZCXBALEJKYICA-KDURUIRLSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000519360239 945337582 /nfs/dbraw/zinc/33/75/82/945337582.db2.gz TZCXBALEJKYICA-KDURUIRLSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000519360239 945337592 /nfs/dbraw/zinc/33/75/92/945337592.db2.gz TZCXBALEJKYICA-KDURUIRLSA-N 2 1 359.558 3.911 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000414156021 940685014 /nfs/dbraw/zinc/68/50/14/940685014.db2.gz OTEMQAPLYZKARZ-CABCVRRESA-N 2 1 359.539 3.984 20 0 FHADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nc2c(s1)CCC2 ZINC000414159286 940689186 /nfs/dbraw/zinc/68/91/86/940689186.db2.gz VZEZNQXZGZQVSK-GJZGRUSLSA-N 2 1 359.539 3.984 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000613491976 940771100 /nfs/dbraw/zinc/77/11/00/940771100.db2.gz FKYWYQSLZVOKLZ-HSZRJFAPSA-N 2 1 373.585 3.944 20 0 FHADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174786985 940775894 /nfs/dbraw/zinc/77/58/94/940775894.db2.gz JXLXPSWLZWYWKK-UHFFFAOYSA-N 2 1 367.493 3.834 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C3CC3)cc2)C1 ZINC000892574474 940816883 /nfs/dbraw/zinc/81/68/83/940816883.db2.gz KIQNAXHLPAKKSW-KRWDZBQOSA-N 2 1 352.526 3.819 20 0 FHADMP OC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290868 940901279 /nfs/dbraw/zinc/90/12/79/940901279.db2.gz NYDWXHBDISVRHW-ADHNFCLRSA-N 2 1 368.496 3.687 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657797 945361519 /nfs/dbraw/zinc/36/15/19/945361519.db2.gz UKIBYJXGTGPIDL-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657797 945361527 /nfs/dbraw/zinc/36/15/27/945361527.db2.gz UKIBYJXGTGPIDL-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657797 945361538 /nfs/dbraw/zinc/36/15/38/945361538.db2.gz UKIBYJXGTGPIDL-SFHVURJKSA-N 2 1 370.324 3.740 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660588 945363308 /nfs/dbraw/zinc/36/33/08/945363308.db2.gz XCHIHZPUSQKRMN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660588 945363318 /nfs/dbraw/zinc/36/33/18/945363318.db2.gz XCHIHZPUSQKRMN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660588 945363329 /nfs/dbraw/zinc/36/33/29/945363329.db2.gz XCHIHZPUSQKRMN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660588 945363342 /nfs/dbraw/zinc/36/33/42/945363342.db2.gz XCHIHZPUSQKRMN-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP CC1CC[NH+](CCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000161775086 940966448 /nfs/dbraw/zinc/96/64/48/940966448.db2.gz FXJQFCAZRZXXIX-UHFFFAOYSA-N 2 1 361.549 3.544 20 0 FHADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543139 941065123 /nfs/dbraw/zinc/06/51/23/941065123.db2.gz HZZFCYMIKDCFFW-VQTJNVASSA-N 2 1 365.521 3.872 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)nc1 ZINC000181390695 941149204 /nfs/dbraw/zinc/14/92/04/941149204.db2.gz FPAAAVGAOHBDFP-CVEARBPZSA-N 2 1 359.901 3.807 20 0 FHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)nc1 ZINC000181390695 941149205 /nfs/dbraw/zinc/14/92/05/941149205.db2.gz FPAAAVGAOHBDFP-CVEARBPZSA-N 2 1 359.901 3.807 20 0 FHADMP COc1ccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000311569392 941332683 /nfs/dbraw/zinc/33/26/83/941332683.db2.gz ZSSNZRGNRMMXKM-QFIPXVFZSA-N 2 1 354.494 3.706 20 0 FHADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000311569392 941332685 /nfs/dbraw/zinc/33/26/85/941332685.db2.gz ZSSNZRGNRMMXKM-QFIPXVFZSA-N 2 1 354.494 3.706 20 0 FHADMP COc1ccc(Br)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000472639425 941358062 /nfs/dbraw/zinc/35/80/62/941358062.db2.gz UFIJSKLGLUXDTI-UHFFFAOYSA-N 2 1 353.304 3.518 20 0 FHADMP COc1ccc(Br)c(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000472639425 941358067 /nfs/dbraw/zinc/35/80/67/941358067.db2.gz UFIJSKLGLUXDTI-UHFFFAOYSA-N 2 1 353.304 3.518 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000376690875 941374382 /nfs/dbraw/zinc/37/43/82/941374382.db2.gz RCHVPINVLAPDMJ-MZZRDLGESA-N 2 1 356.510 3.775 20 0 FHADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000311866926 941405930 /nfs/dbraw/zinc/40/59/30/941405930.db2.gz YMZGYVGBCSKKCE-QFIPXVFZSA-N 2 1 354.494 3.706 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3C[C@@H]3c3cccs3)CC2)nc(C)[nH+]1 ZINC000376773404 941424512 /nfs/dbraw/zinc/42/45/12/941424512.db2.gz QCSBHCUZOJSOSM-OLMNPRSZSA-N 2 1 356.539 3.906 20 0 FHADMP Brc1ccc2[nH+]ccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549142971 941521480 /nfs/dbraw/zinc/52/14/80/941521480.db2.gz RCHYDMVVXGDAKR-CQSZACIVSA-N 2 1 360.299 3.919 20 0 FHADMP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040008 941560057 /nfs/dbraw/zinc/56/00/57/941560057.db2.gz JMVMGIDKHJTNER-GOEBONIOSA-N 2 1 360.395 3.731 20 0 FHADMP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040008 941560063 /nfs/dbraw/zinc/56/00/63/941560063.db2.gz JMVMGIDKHJTNER-GOEBONIOSA-N 2 1 360.395 3.731 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044856 941568632 /nfs/dbraw/zinc/56/86/32/941568632.db2.gz CAVHBJPPRWIEBG-WBMJQRKESA-N 2 1 357.420 3.530 20 0 FHADMP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000415045920 941569386 /nfs/dbraw/zinc/56/93/86/941569386.db2.gz BZKVDOJNEWWVLY-QHCPKHFHSA-N 3 1 369.528 3.902 20 0 FHADMP c1ccc([C@@H]2CCCC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000415057667 941570850 /nfs/dbraw/zinc/57/08/50/941570850.db2.gz RZLAFDANUOAQBD-TXHBJKIWSA-N 2 1 355.570 3.909 20 0 FHADMP c1cc(COc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059422 941571029 /nfs/dbraw/zinc/57/10/29/941571029.db2.gz WWLOURZPWBLDRR-IFMALSPDSA-N 2 1 351.494 3.625 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)C[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000415097320 941600651 /nfs/dbraw/zinc/60/06/51/941600651.db2.gz CUCYGYMGDOILSP-FUHWJXTLSA-N 2 1 355.482 3.893 20 0 FHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415127395 941615762 /nfs/dbraw/zinc/61/57/62/941615762.db2.gz MWFRBGOUJPNUSF-OAQYLSRUSA-N 2 1 361.493 3.549 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122816 941619055 /nfs/dbraw/zinc/61/90/55/941619055.db2.gz ISBPKYXSLJGHMX-LPHOPBHVSA-N 2 1 354.494 3.788 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235783 941693175 /nfs/dbraw/zinc/69/31/75/941693175.db2.gz NSQQVKNOICEWLJ-GXWFBMCDSA-N 2 1 364.533 3.651 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235783 941693180 /nfs/dbraw/zinc/69/31/80/941693180.db2.gz NSQQVKNOICEWLJ-GXWFBMCDSA-N 2 1 364.533 3.651 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235785 941693290 /nfs/dbraw/zinc/69/32/90/941693290.db2.gz NSQQVKNOICEWLJ-NHKCCNDQSA-N 2 1 364.533 3.651 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235785 941693294 /nfs/dbraw/zinc/69/32/94/941693294.db2.gz NSQQVKNOICEWLJ-NHKCCNDQSA-N 2 1 364.533 3.651 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513204753 941780292 /nfs/dbraw/zinc/78/02/92/941780292.db2.gz WBTYAQHLDPSZRA-NQIIRXRSSA-N 2 1 351.494 3.658 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513204753 941780296 /nfs/dbraw/zinc/78/02/96/941780296.db2.gz WBTYAQHLDPSZRA-NQIIRXRSSA-N 2 1 351.494 3.658 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC(c2ccccc2)c2ccccc2)CCCO1 ZINC000513252662 941818900 /nfs/dbraw/zinc/81/89/00/941818900.db2.gz MTUYMLLNWDFAMH-HXUWFJFHSA-N 2 1 352.522 3.909 20 0 FHADMP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513408491 941902898 /nfs/dbraw/zinc/90/28/98/941902898.db2.gz NKOZPFBNPQQEQY-HOTGVXAUSA-N 2 1 361.496 3.646 20 0 FHADMP C[N@@H+](Cc1csc(-c2ccccn2)n1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377705978 941915014 /nfs/dbraw/zinc/91/50/14/941915014.db2.gz SXQNXUROUIYOBN-UHFFFAOYSA-N 2 1 365.506 3.701 20 0 FHADMP COCCCOc1cccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000377710188 941920889 /nfs/dbraw/zinc/92/08/89/941920889.db2.gz WAOPGBPVGQPTGJ-UHFFFAOYSA-N 2 1 369.509 3.598 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523825 941995334 /nfs/dbraw/zinc/99/53/34/941995334.db2.gz CLECJKXUHNWDNS-UGKGYDQZSA-N 2 1 352.526 3.862 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000513545351 942005442 /nfs/dbraw/zinc/00/54/42/942005442.db2.gz PVBQHVWRMGQNQD-GHTZIAJQSA-N 2 1 366.505 3.848 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513656722 942059240 /nfs/dbraw/zinc/05/92/40/942059240.db2.gz WVLBEKCVTXJXKA-JQFCIGGWSA-N 2 1 355.295 3.593 20 0 FHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893113945 942063045 /nfs/dbraw/zinc/06/30/45/942063045.db2.gz PVAHFZQIILLWBB-QZTJIDSGSA-N 2 1 356.432 3.621 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415906720 942134465 /nfs/dbraw/zinc/13/44/65/942134465.db2.gz LKOBCVPZQMDZGX-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415916581 942142190 /nfs/dbraw/zinc/14/21/90/942142190.db2.gz HOGKEFBBWPXGMQ-HKUYNNGSSA-N 2 1 358.530 3.524 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000415920776 942148588 /nfs/dbraw/zinc/14/85/88/942148588.db2.gz PLDHHBQUBMTMFK-HXUWFJFHSA-N 2 1 358.530 3.715 20 0 FHADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000280344716 942164256 /nfs/dbraw/zinc/16/42/56/942164256.db2.gz RQZBEMJZSHXDEO-JOCHJYFZSA-N 2 1 351.494 3.545 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000415929887 942166148 /nfs/dbraw/zinc/16/61/48/942166148.db2.gz YZOQQBAUFDYECN-JOCHJYFZSA-N 2 1 366.509 3.582 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415945951 942179095 /nfs/dbraw/zinc/17/90/95/942179095.db2.gz SGDNNDVQFAWGQU-FXAWDEMLSA-N 2 1 366.509 3.753 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000415959208 942190948 /nfs/dbraw/zinc/19/09/48/942190948.db2.gz SJNVJEINQLKXJG-QGZVFWFLSA-N 2 1 360.546 3.818 20 0 FHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000415953431 942191822 /nfs/dbraw/zinc/19/18/22/942191822.db2.gz GWDKYRFSKURUTL-UHFFFAOYSA-N 2 1 366.509 3.618 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415952630 942192585 /nfs/dbraw/zinc/19/25/85/942192585.db2.gz GAEHEMZWUNAFBO-HXUWFJFHSA-N 2 1 366.509 3.568 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415952610 942192816 /nfs/dbraw/zinc/19/28/16/942192816.db2.gz GAEHEMZWUNAFBO-FQEVSTJZSA-N 2 1 366.509 3.568 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000415967296 942206540 /nfs/dbraw/zinc/20/65/40/942206540.db2.gz BCVSUMIZRCBLFF-LAUBAEHRSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415960287 942207748 /nfs/dbraw/zinc/20/77/48/942207748.db2.gz UWUTWIIHSICKID-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415960287 942207753 /nfs/dbraw/zinc/20/77/53/942207753.db2.gz UWUTWIIHSICKID-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccc(C(C)(C)C)cc3C2)CC1 ZINC000501008638 942255805 /nfs/dbraw/zinc/25/58/05/942255805.db2.gz USQAAJPTSBPKEO-UHFFFAOYSA-N 2 1 357.586 3.758 20 0 FHADMP c1cc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cs1 ZINC000420925447 942257713 /nfs/dbraw/zinc/25/77/13/942257713.db2.gz WBQLWACNUVWVNJ-UHFFFAOYSA-N 2 1 356.535 3.960 20 0 FHADMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420916831 942266899 /nfs/dbraw/zinc/26/68/99/942266899.db2.gz PWQQTULKGGHBEP-SFHVURJKSA-N 2 1 354.494 3.808 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420916831 942266901 /nfs/dbraw/zinc/26/69/01/942266901.db2.gz PWQQTULKGGHBEP-SFHVURJKSA-N 2 1 354.494 3.808 20 0 FHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420916831 942266903 /nfs/dbraw/zinc/26/69/03/942266903.db2.gz PWQQTULKGGHBEP-SFHVURJKSA-N 2 1 354.494 3.808 20 0 FHADMP COc1ccc(OCCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501057431 942281602 /nfs/dbraw/zinc/28/16/02/942281602.db2.gz YUEQFIHFKFRLHS-UHFFFAOYSA-N 2 1 369.509 3.708 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000501052885 942289564 /nfs/dbraw/zinc/28/95/64/942289564.db2.gz JOVCRILJWKICLY-UHFFFAOYSA-N 2 1 361.961 3.845 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000501110291 942302884 /nfs/dbraw/zinc/30/28/84/942302884.db2.gz JYEDXFZDKITMPX-BGYRXZFFSA-N 2 1 351.538 3.830 20 0 FHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180221345 942338837 /nfs/dbraw/zinc/33/88/37/942338837.db2.gz XCDJYIQXHAMNPK-MRLCAUJQSA-N 2 1 353.551 3.532 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180221345 942338842 /nfs/dbraw/zinc/33/88/42/942338842.db2.gz XCDJYIQXHAMNPK-MRLCAUJQSA-N 2 1 353.551 3.532 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1F ZINC000378199844 942379321 /nfs/dbraw/zinc/37/93/21/942379321.db2.gz JJXCIDBCQPDHOA-KUHUBIRLSA-N 2 1 366.440 3.587 20 0 FHADMP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513714029 942461440 /nfs/dbraw/zinc/46/14/40/942461440.db2.gz XBVDWLHZPIQLRU-UNWVZKJWSA-N 2 1 366.553 3.763 20 0 FHADMP c1cncc([C@H]2CCC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000501431239 942474707 /nfs/dbraw/zinc/47/47/07/942474707.db2.gz AVHLECXKKGRGPF-FPOVZHCZSA-N 2 1 357.542 3.733 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000421343796 942496231 /nfs/dbraw/zinc/49/62/31/942496231.db2.gz QZADPSLSSNEDRH-MAUKXSAKSA-N 2 1 360.933 3.772 20 0 FHADMP Cc1c(Cl)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000421343796 942496243 /nfs/dbraw/zinc/49/62/43/942496243.db2.gz QZADPSLSSNEDRH-MAUKXSAKSA-N 2 1 360.933 3.772 20 0 FHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)C[C@H](C)O1 ZINC000421351618 942503119 /nfs/dbraw/zinc/50/31/19/942503119.db2.gz CJTNDFBJDNCXLW-OALUTQOASA-N 2 1 372.553 3.654 20 0 FHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000513819158 942536921 /nfs/dbraw/zinc/53/69/21/942536921.db2.gz QVLPVNSBAGEIII-ROUUACIJSA-N 2 1 357.567 3.892 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000513835417 942549363 /nfs/dbraw/zinc/54/93/63/942549363.db2.gz MTZQIXQFYDEPLX-UHFFFAOYSA-N 2 1 371.500 3.529 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295875 942598228 /nfs/dbraw/zinc/59/82/28/942598228.db2.gz BBVZVIWWANSQGQ-UTKZUKDTSA-N 2 1 370.493 3.592 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300686 942609792 /nfs/dbraw/zinc/60/97/92/942609792.db2.gz KJBSOHGPMSBLFV-MJGOQNOKSA-N 2 1 356.535 3.852 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300426 942610372 /nfs/dbraw/zinc/61/03/72/942610372.db2.gz KJBSOHGPMSBLFV-HKUYNNGSSA-N 2 1 356.535 3.852 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321232 942621096 /nfs/dbraw/zinc/62/10/96/942621096.db2.gz QXUUHBKVUWJTMW-ROUUACIJSA-N 2 1 359.539 3.690 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332013 942631455 /nfs/dbraw/zinc/63/14/55/942631455.db2.gz RDJFNCIOWMVSRZ-HUUCEWRRSA-N 2 1 358.507 3.509 20 0 FHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334451 942632506 /nfs/dbraw/zinc/63/25/06/942632506.db2.gz GJXPZVDUKOVJLY-RBUKOAKNSA-N 2 1 354.498 3.682 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH2+][C@H](C[NH3+])C3CCCCC3)n2)cc1F ZINC000420373935 942644611 /nfs/dbraw/zinc/64/46/11/942644611.db2.gz ROMMSVYETHNMOL-GOSISDBHSA-N 2 1 360.477 3.614 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000502685362 942658966 /nfs/dbraw/zinc/65/89/66/942658966.db2.gz SQHYQLHRGVENPD-UHFFFAOYSA-N 2 1 366.303 3.745 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000502685362 942658967 /nfs/dbraw/zinc/65/89/67/942658967.db2.gz SQHYQLHRGVENPD-UHFFFAOYSA-N 2 1 366.303 3.745 20 0 FHADMP COc1ccc(Br)cc1C[N@@H+](C)CCCCn1ccnc1C ZINC000502701702 942669806 /nfs/dbraw/zinc/66/98/06/942669806.db2.gz KTJKMOZIHITUFU-UHFFFAOYSA-N 2 1 366.303 3.875 20 0 FHADMP COc1ccc(Br)cc1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000502701702 942669808 /nfs/dbraw/zinc/66/98/08/942669808.db2.gz KTJKMOZIHITUFU-UHFFFAOYSA-N 2 1 366.303 3.875 20 0 FHADMP COc1ccc(Br)cc1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000502701702 942669814 /nfs/dbraw/zinc/66/98/14/942669814.db2.gz KTJKMOZIHITUFU-UHFFFAOYSA-N 2 1 366.303 3.875 20 0 FHADMP Fc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1OC(F)F ZINC000659974133 942702009 /nfs/dbraw/zinc/70/20/09/942702009.db2.gz LCWCNMNKCUTIOR-UHFFFAOYSA-N 2 1 372.431 3.504 20 0 FHADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085063 942735700 /nfs/dbraw/zinc/73/57/00/942735700.db2.gz SNHKZDYRIDIXHY-UAFMIMERSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085063 942735707 /nfs/dbraw/zinc/73/57/07/942735707.db2.gz SNHKZDYRIDIXHY-UAFMIMERSA-N 2 1 361.599 3.984 20 0 FHADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085063 942735712 /nfs/dbraw/zinc/73/57/12/942735712.db2.gz SNHKZDYRIDIXHY-UAFMIMERSA-N 2 1 361.599 3.984 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741539 /nfs/dbraw/zinc/74/15/39/942741539.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741544 /nfs/dbraw/zinc/74/15/44/942741544.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741548 /nfs/dbraw/zinc/74/15/48/942741548.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741553 /nfs/dbraw/zinc/74/15/53/942741553.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741558 /nfs/dbraw/zinc/74/15/58/942741558.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741562 /nfs/dbraw/zinc/74/15/62/942741562.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741564 /nfs/dbraw/zinc/74/15/64/942741564.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741567 /nfs/dbraw/zinc/74/15/67/942741567.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741572 /nfs/dbraw/zinc/74/15/72/942741572.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 2 1 355.570 3.881 20 0 FHADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114780 942754834 /nfs/dbraw/zinc/75/48/34/942754834.db2.gz KEADSDNCAOXCFQ-YLJYHZDGSA-N 2 1 351.494 3.698 20 0 FHADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114780 942754839 /nfs/dbraw/zinc/75/48/39/942754839.db2.gz KEADSDNCAOXCFQ-YLJYHZDGSA-N 2 1 351.494 3.698 20 0 FHADMP Cc1nc(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cs1 ZINC000502867896 942815425 /nfs/dbraw/zinc/81/54/25/942815425.db2.gz GIQFVWXDSDULKW-NRFANRHFSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1nc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cs1 ZINC000502867896 942815426 /nfs/dbraw/zinc/81/54/26/942815426.db2.gz GIQFVWXDSDULKW-NRFANRHFSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cs1 ZINC000502867896 942815431 /nfs/dbraw/zinc/81/54/31/942815431.db2.gz GIQFVWXDSDULKW-NRFANRHFSA-N 2 1 355.551 3.982 20 0 FHADMP Cc1nc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cs1 ZINC000502867896 942815435 /nfs/dbraw/zinc/81/54/35/942815435.db2.gz GIQFVWXDSDULKW-NRFANRHFSA-N 2 1 355.551 3.982 20 0 FHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000421828380 942836336 /nfs/dbraw/zinc/83/63/36/942836336.db2.gz CMCSXEMTLDYZBK-HNNXBMFYSA-N 2 1 354.897 3.645 20 0 FHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000502960368 942877259 /nfs/dbraw/zinc/87/72/59/942877259.db2.gz NVSKEYHKQAPBPM-OTWHNJEPSA-N 2 1 374.573 3.678 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378569169 942902049 /nfs/dbraw/zinc/90/20/49/942902049.db2.gz PQBFSIWDCPLLSK-SXLOBPIMSA-N 2 1 363.505 3.613 20 0 FHADMP CN(c1ccccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC000430092980 942906268 /nfs/dbraw/zinc/90/62/68/942906268.db2.gz DIXLVAMWFOSYPJ-VQTJNVASSA-N 2 1 363.496 3.694 20 0 FHADMP COc1ccc(Br)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000387999581 942973817 /nfs/dbraw/zinc/97/38/17/942973817.db2.gz ZIXDGHKBIIOAAS-UHFFFAOYSA-N 2 1 367.331 3.766 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414856183 942997797 /nfs/dbraw/zinc/99/77/97/942997797.db2.gz YLLKJRZLPOXUIF-KSSFIOAISA-N 2 1 351.922 3.863 20 0 FHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856962 943030659 /nfs/dbraw/zinc/03/06/59/943030659.db2.gz ZUIXSCCSMNZERH-SUMWQHHRSA-N 2 1 367.921 3.563 20 0 FHADMP Clc1sc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000414858742 943053380 /nfs/dbraw/zinc/05/33/80/943053380.db2.gz LANXSWQTMBYKCH-UHFFFAOYSA-N 2 1 374.735 3.829 20 0 FHADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000503271088 943092945 /nfs/dbraw/zinc/09/29/45/943092945.db2.gz VAQGPEIFLVXZAP-FQEVSTJZSA-N 2 1 372.557 3.568 20 0 FHADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)c1 ZINC000414654730 943115985 /nfs/dbraw/zinc/11/59/85/943115985.db2.gz GMAOSIVRISXIRA-YCRPNKLZSA-N 2 1 356.466 3.665 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661878 943132860 /nfs/dbraw/zinc/13/28/60/943132860.db2.gz QOUCWSZIEINVNB-RDJZCZTQSA-N 2 1 360.523 3.895 20 0 FHADMP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392768 943149184 /nfs/dbraw/zinc/14/91/84/943149184.db2.gz YFIASHPIRTXXAX-MJGOQNOKSA-N 2 1 370.566 3.612 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668703 943169300 /nfs/dbraw/zinc/16/93/00/943169300.db2.gz ZBJRQNPNNUZIMY-UKRRQHHQSA-N 2 1 360.420 3.586 20 0 FHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668705 943169618 /nfs/dbraw/zinc/16/96/18/943169618.db2.gz ZBJRQNPNNUZIMY-ZFWWWQNUSA-N 2 1 360.420 3.586 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSc1cccc(Cl)c1 ZINC000660116000 943209283 /nfs/dbraw/zinc/20/92/83/943209283.db2.gz GCDDGQOIFPHHLS-NXHRZFHOSA-N 2 1 354.947 3.616 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSc1cccc(Cl)c1 ZINC000660115999 943209504 /nfs/dbraw/zinc/20/95/04/943209504.db2.gz GCDDGQOIFPHHLS-NJAFHUGGSA-N 2 1 354.947 3.616 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430133085 943211273 /nfs/dbraw/zinc/21/12/73/943211273.db2.gz AIQIUBZDAGDRGF-HXUWFJFHSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430133085 943211281 /nfs/dbraw/zinc/21/12/81/943211281.db2.gz AIQIUBZDAGDRGF-HXUWFJFHSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430133085 943211287 /nfs/dbraw/zinc/21/12/87/943211287.db2.gz AIQIUBZDAGDRGF-HXUWFJFHSA-N 2 1 358.917 3.670 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430133085 943211296 /nfs/dbraw/zinc/21/12/96/943211296.db2.gz AIQIUBZDAGDRGF-HXUWFJFHSA-N 2 1 358.917 3.670 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272743895 943213692 /nfs/dbraw/zinc/21/36/92/943213692.db2.gz BKNNRYSNXZCJSD-XLIONFOSSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272743895 943213700 /nfs/dbraw/zinc/21/37/00/943213700.db2.gz BKNNRYSNXZCJSD-XLIONFOSSA-N 2 1 370.566 3.755 20 0 FHADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422642685 943218793 /nfs/dbraw/zinc/21/87/93/943218793.db2.gz ZXIOHPFYMKFHOA-AOIWGVFYSA-N 2 1 351.494 3.597 20 0 FHADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422642685 943218804 /nfs/dbraw/zinc/21/88/04/943218804.db2.gz ZXIOHPFYMKFHOA-AOIWGVFYSA-N 2 1 351.494 3.597 20 0 FHADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000422706846 943241514 /nfs/dbraw/zinc/24/15/14/943241514.db2.gz GEKBCOSVEMBFCM-UVUJQTEASA-N 2 1 371.569 3.733 20 0 FHADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422695002 943248454 /nfs/dbraw/zinc/24/84/54/943248454.db2.gz OTFULIWIBOEVTO-DHUIEDIVSA-N 2 1 356.441 3.741 20 0 FHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000422715901 943255144 /nfs/dbraw/zinc/25/51/44/943255144.db2.gz SUXZPLPOMNPYIA-MJGOQNOKSA-N 2 1 366.509 3.734 20 0 FHADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422724017 943259365 /nfs/dbraw/zinc/25/93/65/943259365.db2.gz UBHXOGMFEZEIFM-DYESRHJHSA-N 2 1 353.510 3.719 20 0 FHADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768801 943276010 /nfs/dbraw/zinc/27/60/10/943276010.db2.gz UYLKECMGERJJEP-TWKWOARYSA-N 2 1 369.475 3.676 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813972 943292704 /nfs/dbraw/zinc/29/27/04/943292704.db2.gz SRUXQKINGFJVAB-OIDISNMWSA-N 3 1 365.521 3.530 20 0 FHADMP C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813972 943292710 /nfs/dbraw/zinc/29/27/10/943292710.db2.gz SRUXQKINGFJVAB-OIDISNMWSA-N 3 1 365.521 3.530 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422845884 943313534 /nfs/dbraw/zinc/31/35/34/943313534.db2.gz PARLJBBPXFXMPX-RBBKRZOGSA-N 2 1 364.468 3.903 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000422873575 943322759 /nfs/dbraw/zinc/32/27/59/943322759.db2.gz LQGCUZDFXFZALI-OWCLPIDISA-N 2 1 354.441 3.697 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1c[nH+]ccc1N ZINC000422901093 943324597 /nfs/dbraw/zinc/32/45/97/943324597.db2.gz BJORKSOIEPCCLC-YJBOKZPZSA-N 2 1 358.917 3.853 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422905704 943326561 /nfs/dbraw/zinc/32/65/61/943326561.db2.gz ITGVMIDSXJRJHH-NRCDOKTLSA-N 2 1 363.549 3.730 20 0 FHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422911226 943328255 /nfs/dbraw/zinc/32/82/55/943328255.db2.gz KKJUMUFQEVVDAN-XPWALMASSA-N 2 1 371.569 3.562 20 0 FHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422935831 943337647 /nfs/dbraw/zinc/33/76/47/943337647.db2.gz ARHWCGZOLBCARF-ZWNOBZJWSA-N 2 1 363.246 3.528 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414705561 943339999 /nfs/dbraw/zinc/33/99/99/943339999.db2.gz FLRKXWROBXMZID-SJORKVTESA-N 2 1 358.530 3.652 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872434 943351982 /nfs/dbraw/zinc/35/19/82/943351982.db2.gz ZYMWTSJFTZDQCM-TZIWHRDSSA-N 2 1 371.569 3.517 20 0 FHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503745490 943352825 /nfs/dbraw/zinc/35/28/25/943352825.db2.gz ZWZSMVMZDYSXRX-ICSRJNTNSA-N 2 1 374.573 3.680 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000422999090 943360489 /nfs/dbraw/zinc/36/04/89/943360489.db2.gz DQTANMFHPFBIFO-BEFAXECRSA-N 2 1 366.427 3.814 20 0 FHADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435369981 943363870 /nfs/dbraw/zinc/36/38/70/943363870.db2.gz HEPPULANHNKDRS-LPHOPBHVSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000435369981 943363874 /nfs/dbraw/zinc/36/38/74/943363874.db2.gz HEPPULANHNKDRS-LPHOPBHVSA-N 2 1 366.534 3.829 20 0 FHADMP C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH+]ccc1N ZINC000423013912 943365106 /nfs/dbraw/zinc/36/51/06/943365106.db2.gz NVAGXENAVWMYMY-JTQLQIEISA-N 2 1 374.794 3.681 20 0 FHADMP C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH+]ccc1N ZINC000423013913 943365364 /nfs/dbraw/zinc/36/53/64/943365364.db2.gz NVAGXENAVWMYMY-SNVBAGLBSA-N 2 1 374.794 3.681 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377968 943367380 /nfs/dbraw/zinc/36/73/80/943367380.db2.gz BQCIBXLQQRGDOQ-HNAYVOBHSA-N 2 1 358.457 3.582 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377968 943367385 /nfs/dbraw/zinc/36/73/85/943367385.db2.gz BQCIBXLQQRGDOQ-HNAYVOBHSA-N 2 1 358.457 3.582 20 0 FHADMP C[C@@H]([NH2+]CCc1cc(Cl)ccc1Br)c1c[nH+]ccc1N ZINC000422996430 943367567 /nfs/dbraw/zinc/36/75/67/943367567.db2.gz LZYXNLNPTKYWNE-SNVBAGLBSA-N 2 1 354.679 3.803 20 0 FHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1OCc1ccccn1 ZINC000435379199 943368335 /nfs/dbraw/zinc/36/83/35/943368335.db2.gz IBODWSBQBROLLI-RLAPIPATSA-N 2 1 365.521 3.992 20 0 FHADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022896 943369900 /nfs/dbraw/zinc/36/99/00/943369900.db2.gz IMYLTRKAPRGFRW-JECZMYCTSA-N 2 1 353.913 3.592 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435387526 943374054 /nfs/dbraw/zinc/37/40/54/943374054.db2.gz ANTIADMOFXTHHW-QGZVFWFLSA-N 2 1 364.468 3.720 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435387526 943374061 /nfs/dbraw/zinc/37/40/61/943374061.db2.gz ANTIADMOFXTHHW-QGZVFWFLSA-N 2 1 364.468 3.720 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435387524 943374474 /nfs/dbraw/zinc/37/44/74/943374474.db2.gz ANTIADMOFXTHHW-KRWDZBQOSA-N 2 1 364.468 3.720 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435387524 943374479 /nfs/dbraw/zinc/37/44/79/943374479.db2.gz ANTIADMOFXTHHW-KRWDZBQOSA-N 2 1 364.468 3.720 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435390436 943376853 /nfs/dbraw/zinc/37/68/53/943376853.db2.gz BAXLNBVHPLCEAG-SFHVURJKSA-N 2 1 360.933 3.633 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435390436 943376859 /nfs/dbraw/zinc/37/68/59/943376859.db2.gz BAXLNBVHPLCEAG-SFHVURJKSA-N 2 1 360.933 3.633 20 0 FHADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000435390023 943377590 /nfs/dbraw/zinc/37/75/90/943377590.db2.gz PSLWOSRTDLWQQM-UHFFFAOYSA-N 2 1 358.457 3.597 20 0 FHADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000435390023 943377595 /nfs/dbraw/zinc/37/75/95/943377595.db2.gz PSLWOSRTDLWQQM-UHFFFAOYSA-N 2 1 358.457 3.597 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414716690 943389068 /nfs/dbraw/zinc/38/90/68/943389068.db2.gz SOWDVJIEKAJCNY-AEFFLSMTSA-N 2 1 358.530 3.700 20 0 FHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423090467 943391547 /nfs/dbraw/zinc/39/15/47/943391547.db2.gz XRDQLZXJNLJWEW-DVHLICQRSA-N 2 1 361.496 3.692 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122570 943397941 /nfs/dbraw/zinc/39/79/41/943397941.db2.gz KAIPUXBCPBOAKT-KJJMTIBFSA-N 2 1 359.558 3.587 20 0 FHADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000503885224 943402952 /nfs/dbraw/zinc/40/29/52/943402952.db2.gz KPKDSWMFKBEERW-RHQZKXFESA-N 2 1 350.453 3.647 20 0 FHADMP c1csc(C[N@H+](Cc2ccc3c(c2)CCC3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435423403 943403858 /nfs/dbraw/zinc/40/38/58/943403858.db2.gz QEMXRJOHCUZWTE-IBGZPJMESA-N 2 1 353.535 3.776 20 0 FHADMP c1csc(C[N@@H+](Cc2ccc3c(c2)CCC3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435423403 943403862 /nfs/dbraw/zinc/40/38/62/943403862.db2.gz QEMXRJOHCUZWTE-IBGZPJMESA-N 2 1 353.535 3.776 20 0 FHADMP CCc1nc2cc(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000423111345 943404417 /nfs/dbraw/zinc/40/44/17/943404417.db2.gz IWNNQCCIPRBPPL-OXQOHEQNSA-N 2 1 362.521 3.982 20 0 FHADMP COc1ccc([C@H](C)C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435425184 943404942 /nfs/dbraw/zinc/40/49/42/943404942.db2.gz CMGIKEKUNREWGN-NVXWUHKLSA-N 2 1 359.539 3.675 20 0 FHADMP COc1ccc([C@@H](C)C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435425183 943405023 /nfs/dbraw/zinc/40/50/23/943405023.db2.gz CMGIKEKUNREWGN-DOTOQJQBSA-N 2 1 359.539 3.675 20 0 FHADMP Cn1ccnc1C[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427376 943406681 /nfs/dbraw/zinc/40/66/81/943406681.db2.gz MPJLZIRKQJRMTH-OAQYLSRUSA-N 2 1 360.505 3.718 20 0 FHADMP Cn1ccnc1C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427376 943406686 /nfs/dbraw/zinc/40/66/86/943406686.db2.gz MPJLZIRKQJRMTH-OAQYLSRUSA-N 2 1 360.505 3.718 20 0 FHADMP Cc1cccc2ncc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n21 ZINC000435430103 943408960 /nfs/dbraw/zinc/40/89/60/943408960.db2.gz YBILNTAWVBTJBO-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP Cc1cccc2ncc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n21 ZINC000435430103 943408961 /nfs/dbraw/zinc/40/89/61/943408961.db2.gz YBILNTAWVBTJBO-IBGZPJMESA-N 2 1 366.534 3.849 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1cccc(C)c1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431485 943409369 /nfs/dbraw/zinc/40/93/69/943409369.db2.gz DMUIZFCNSVCEFK-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1cccc(C)c1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431485 943409373 /nfs/dbraw/zinc/40/93/73/943409373.db2.gz DMUIZFCNSVCEFK-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000236691648 943409860 /nfs/dbraw/zinc/40/98/60/943409860.db2.gz VRFPVFHSFRUQRV-XVLXNVKGSA-N 2 1 365.562 3.627 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000414718969 943411079 /nfs/dbraw/zinc/41/10/79/943411079.db2.gz WYEYPDZVZGJYIE-MOPGFXCFSA-N 2 1 370.541 3.809 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143551 943418576 /nfs/dbraw/zinc/41/85/76/943418576.db2.gz XFAVRNPRJAJURW-RXVVDRJESA-N 3 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143551 943418578 /nfs/dbraw/zinc/41/85/78/943418578.db2.gz XFAVRNPRJAJURW-RXVVDRJESA-N 2 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143551 943418581 /nfs/dbraw/zinc/41/85/81/943418581.db2.gz XFAVRNPRJAJURW-RXVVDRJESA-N 2 1 366.553 3.802 20 0 FHADMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423184673 943420313 /nfs/dbraw/zinc/42/03/13/943420313.db2.gz MRLPRJDTGPOIMB-NSHDSACASA-N 2 1 353.297 3.890 20 0 FHADMP CC1CC[NH+](CCC[C@H](NC[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208315 943431460 /nfs/dbraw/zinc/43/14/60/943431460.db2.gz HQTWMMCEWKTHNW-UGKGYDQZSA-N 2 1 361.549 3.968 20 0 FHADMP CC1(C)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C[C@H]1OCc1ccccc1 ZINC000423187097 943435150 /nfs/dbraw/zinc/43/51/50/943435150.db2.gz LSYRISPSBZXBLS-NHCUHLMSSA-N 2 1 353.510 3.535 20 0 FHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423191117 943436869 /nfs/dbraw/zinc/43/68/69/943436869.db2.gz SEPOLEVPHACYHA-SFHVURJKSA-N 2 1 374.326 3.909 20 0 FHADMP Brc1cccc2c1CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191174 943436937 /nfs/dbraw/zinc/43/69/37/943436937.db2.gz SIUOWKDYRTWQFP-LJQANCHMSA-N 2 1 374.326 3.991 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417223552 943439512 /nfs/dbraw/zinc/43/95/12/943439512.db2.gz SKORZMCRTHLDDW-WSTZPKSXSA-N 2 1 374.573 3.522 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423204224 943441562 /nfs/dbraw/zinc/44/15/62/943441562.db2.gz DENOSSKOVRRYFP-WDEREUQCSA-N 2 1 350.356 3.540 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423221618 943448351 /nfs/dbraw/zinc/44/83/51/943448351.db2.gz XDSINJJPHNQBGO-SDDRHHMPSA-N 2 1 364.383 3.928 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000423221617 943448429 /nfs/dbraw/zinc/44/84/29/943448429.db2.gz XDSINJJPHNQBGO-GRYCIOLGSA-N 2 1 364.383 3.928 20 0 FHADMP c1cc(C[N@H+](Cc2cccc3c2OCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000414725047 943452943 /nfs/dbraw/zinc/45/29/43/943452943.db2.gz UOODEPPQQDUGMQ-GOSISDBHSA-N 2 1 356.491 3.621 20 0 FHADMP c1cc(C[N@@H+](Cc2cccc3c2OCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000414725047 943452948 /nfs/dbraw/zinc/45/29/48/943452948.db2.gz UOODEPPQQDUGMQ-GOSISDBHSA-N 2 1 356.491 3.621 20 0 FHADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423310374 943472259 /nfs/dbraw/zinc/47/22/59/943472259.db2.gz ADWHHJZMLZKHBC-OQPBUACISA-N 2 1 351.210 3.856 20 0 FHADMP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423350650 943487202 /nfs/dbraw/zinc/48/72/02/943487202.db2.gz GLBSHBLYVRZHQX-QGZVFWFLSA-N 2 1 365.246 3.780 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423383884 943497797 /nfs/dbraw/zinc/49/77/97/943497797.db2.gz FOKRNTABQJHDDW-SDBXPKJASA-N 2 1 362.109 3.526 20 0 FHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515089419 943498367 /nfs/dbraw/zinc/49/83/67/943498367.db2.gz HDUBSMAIXBXHLI-HXUWFJFHSA-N 2 1 372.557 3.521 20 0 FHADMP COCCOCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000515093139 943500156 /nfs/dbraw/zinc/50/01/56/943500156.db2.gz CIIMJKWLTYHLDC-QHCPKHFHSA-N 2 1 374.569 3.794 20 0 FHADMP COCCOCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000515093139 943500160 /nfs/dbraw/zinc/50/01/60/943500160.db2.gz CIIMJKWLTYHLDC-QHCPKHFHSA-N 2 1 374.569 3.794 20 0 FHADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423409062 943509930 /nfs/dbraw/zinc/50/99/30/943509930.db2.gz YLKQEXSOXQYBOI-SDBXPKJASA-N 2 1 351.210 3.856 20 0 FHADMP CCOc1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435623599 943519359 /nfs/dbraw/zinc/51/93/59/943519359.db2.gz CPWCNZBDEVIMOU-HXUWFJFHSA-N 2 1 369.509 3.503 20 0 FHADMP CCOc1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435623599 943519363 /nfs/dbraw/zinc/51/93/63/943519363.db2.gz CPWCNZBDEVIMOU-HXUWFJFHSA-N 2 1 369.509 3.503 20 0 FHADMP COc1cccc(CCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435630984 943528202 /nfs/dbraw/zinc/52/82/02/943528202.db2.gz ZFLAKKHUCGXGRX-OAQYLSRUSA-N 2 1 353.510 3.667 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1csc(-c2ccccc2)n1 ZINC000423500377 943529527 /nfs/dbraw/zinc/52/95/27/943529527.db2.gz ACUBQPWEJOEEAU-IVMQYODDSA-N 2 1 370.566 3.677 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000423499890 943529769 /nfs/dbraw/zinc/52/97/69/943529769.db2.gz BOFVFJMQDMQEQJ-KPQWGBOZSA-N 2 1 355.570 3.693 20 0 FHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)sc1Cl ZINC000423503750 943530966 /nfs/dbraw/zinc/53/09/66/943530966.db2.gz FZXRHAIPXNTUPF-HIFPTAJRSA-N 2 1 362.370 3.922 20 0 FHADMP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000423491571 943535889 /nfs/dbraw/zinc/53/58/89/943535889.db2.gz JVHAYILABJYUTN-SJORKVTESA-N 2 1 355.320 3.504 20 0 FHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528438 943538460 /nfs/dbraw/zinc/53/84/60/943538460.db2.gz ODMAFCJXLNWHNH-NPYWFKPBSA-N 2 1 353.554 3.565 20 0 FHADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528438 943538464 /nfs/dbraw/zinc/53/84/64/943538464.db2.gz ODMAFCJXLNWHNH-NPYWFKPBSA-N 2 1 353.554 3.565 20 0 FHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423532729 943539945 /nfs/dbraw/zinc/53/99/45/943539945.db2.gz RSUYMBTWJBOQFH-ACZWYYKOSA-N 2 1 354.494 3.541 20 0 FHADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)C2)cc1 ZINC000423511806 943541221 /nfs/dbraw/zinc/54/12/21/943541221.db2.gz PFARNCXMTLHEID-MAKTXDPSSA-N 2 1 361.961 3.782 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c2ccccc21 ZINC000423514167 943542463 /nfs/dbraw/zinc/54/24/63/943542463.db2.gz SJBZOJRUCMSWIF-AOCRQIFASA-N 2 1 355.501 3.846 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423522224 943545669 /nfs/dbraw/zinc/54/56/69/943545669.db2.gz UFIBUZBWJKKYSE-KNXWPPODSA-N 2 1 372.582 3.594 20 0 FHADMP Clc1ccc([C@H](CC2CC2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423524864 943546594 /nfs/dbraw/zinc/54/65/94/943546594.db2.gz XKEFVUKYXBAJDU-CBNMVNINSA-N 2 1 361.961 3.987 20 0 FHADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000423526675 943547370 /nfs/dbraw/zinc/54/73/70/943547370.db2.gz ZVXILLRNSIUVPK-UARRHKHWSA-N 3 1 363.549 3.967 20 0 FHADMP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000423577908 943561464 /nfs/dbraw/zinc/56/14/64/943561464.db2.gz SZNLVYKZHWWGBQ-MRXNPFEDSA-N 2 1 359.464 3.609 20 0 FHADMP NC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000423578171 943562177 /nfs/dbraw/zinc/56/21/77/943562177.db2.gz UASKEFGGQPEWHM-FQEVSTJZSA-N 2 1 371.475 3.535 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000509976873 943566930 /nfs/dbraw/zinc/56/69/30/943566930.db2.gz JDCQCIGMULZLRJ-UHFFFAOYSA-N 2 1 374.229 3.735 20 0 FHADMP Cn1c[nH+]cc1CCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000584788502 943616912 /nfs/dbraw/zinc/61/69/12/943616912.db2.gz MSTFPUJIYCNFOQ-UHFFFAOYSA-N 2 1 365.880 3.527 20 0 FHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000423967903 943651587 /nfs/dbraw/zinc/65/15/87/943651587.db2.gz TVCPHPGIEHRHAV-QFIPXVFZSA-N 2 1 365.521 3.566 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256700 943804871 /nfs/dbraw/zinc/80/48/71/943804871.db2.gz NRSYLGNXAWIHGL-FHWLQOOXSA-N 2 1 363.590 3.514 20 0 FHADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000424274754 943831332 /nfs/dbraw/zinc/83/13/32/943831332.db2.gz ZJRYYLAIEPOIFO-AGXSTUJCSA-N 2 1 358.526 3.596 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000424278319 943833064 /nfs/dbraw/zinc/83/30/64/943833064.db2.gz IGSCIHBITATUJB-QAPCUYQASA-N 2 1 374.912 3.766 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C[C@H](C)O1 ZINC000424306231 943852937 /nfs/dbraw/zinc/85/29/37/943852937.db2.gz USOSHOLRBXGFFT-NSHGMRRFSA-N 2 1 373.566 3.906 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975148 943876150 /nfs/dbraw/zinc/87/61/50/943876150.db2.gz OYADMLQKNDEKIC-AUSIDOKSSA-N 2 1 351.538 3.891 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975148 943876160 /nfs/dbraw/zinc/87/61/60/943876160.db2.gz OYADMLQKNDEKIC-AUSIDOKSSA-N 2 1 351.538 3.891 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383331 943892204 /nfs/dbraw/zinc/89/22/04/943892204.db2.gz UEHBNFCGLCBJPJ-KRWDZBQOSA-N 2 1 352.526 3.512 20 0 FHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414786153 943905619 /nfs/dbraw/zinc/90/56/19/943905619.db2.gz UEPDFOZYRBBYOB-UXHICEINSA-N 2 1 350.510 3.671 20 0 FHADMP COC(=O)[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431993 943908409 /nfs/dbraw/zinc/90/84/09/943908409.db2.gz JKJSRQFFIZSCHT-FBBABVLZSA-N 2 1 358.526 3.576 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789235 943931226 /nfs/dbraw/zinc/93/12/26/943931226.db2.gz YDRJZFNWJKDFDE-RBUKOAKNSA-N 2 1 352.526 3.817 20 0 FHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000517038277 943934747 /nfs/dbraw/zinc/93/47/47/943934747.db2.gz SDDQTHHOWJTIDP-UHFFFAOYSA-N 2 1 373.888 3.967 20 0 FHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000517038277 943934749 /nfs/dbraw/zinc/93/47/49/943934749.db2.gz SDDQTHHOWJTIDP-UHFFFAOYSA-N 2 1 373.888 3.967 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1ccc(C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000436045407 943967835 /nfs/dbraw/zinc/96/78/35/943967835.db2.gz AHFULKROOMMGQG-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1ccc(C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000436045407 943967837 /nfs/dbraw/zinc/96/78/37/943967837.db2.gz AHFULKROOMMGQG-LJQANCHMSA-N 2 1 373.566 3.949 20 0 FHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000505086833 944028090 /nfs/dbraw/zinc/02/80/90/944028090.db2.gz YAGPUPIRBIXZRL-GRERDSQWSA-N 2 1 361.574 3.553 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000414808929 944075208 /nfs/dbraw/zinc/07/52/08/944075208.db2.gz LNPCGPBTTCGRDG-CYBMUJFWSA-N 2 1 367.474 3.848 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4c(cccc4F)[nH]3)CC2)oc1C ZINC000436225640 944114838 /nfs/dbraw/zinc/11/48/38/944114838.db2.gz FQYQAIWURAXTHV-UHFFFAOYSA-N 2 1 370.472 3.914 20 0 FHADMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364249678 944154085 /nfs/dbraw/zinc/15/40/85/944154085.db2.gz HMJNACQWGKEKIW-FXAWDEMLSA-N 2 1 368.529 3.563 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000191276661 944155384 /nfs/dbraw/zinc/15/53/84/944155384.db2.gz HHIOPYHHQLKDIL-UHFFFAOYSA-N 2 1 351.498 3.987 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000191276661 944155392 /nfs/dbraw/zinc/15/53/92/944155392.db2.gz HHIOPYHHQLKDIL-UHFFFAOYSA-N 2 1 351.498 3.987 20 0 FHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000436285258 944163983 /nfs/dbraw/zinc/16/39/83/944163983.db2.gz DBSWQNDNRAFYBI-HDICACEKSA-N 2 1 353.510 3.858 20 0 FHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000517267640 944170009 /nfs/dbraw/zinc/17/00/09/944170009.db2.gz CCGQTZOCJAFOLT-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000517267640 944170011 /nfs/dbraw/zinc/17/00/11/944170011.db2.gz CCGQTZOCJAFOLT-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000517267640 944170013 /nfs/dbraw/zinc/17/00/13/944170013.db2.gz CCGQTZOCJAFOLT-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000517267640 944170015 /nfs/dbraw/zinc/17/00/15/944170015.db2.gz CCGQTZOCJAFOLT-LEWJYISDSA-N 2 1 366.505 3.658 20 0 FHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C[C@@H]1C ZINC000436296661 944181173 /nfs/dbraw/zinc/18/11/73/944181173.db2.gz SGHABJGARPSJSR-RAUXBKROSA-N 2 1 350.547 3.741 20 0 FHADMP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000515755667 944183148 /nfs/dbraw/zinc/18/31/48/944183148.db2.gz YORQWGIAYPRPPY-MOPGFXCFSA-N 2 1 359.558 3.701 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(SC)cc2)[C@@H](C)C1 ZINC000436302538 944186590 /nfs/dbraw/zinc/18/65/90/944186590.db2.gz AYONEOMBDLSUHB-PXNSSMCTSA-N 2 1 350.572 3.678 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476036 944292160 /nfs/dbraw/zinc/29/21/60/944292160.db2.gz ZXVJNFHESYFDHL-MSOLQXFVSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476036 944292169 /nfs/dbraw/zinc/29/21/69/944292169.db2.gz ZXVJNFHESYFDHL-MSOLQXFVSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476036 944292174 /nfs/dbraw/zinc/29/21/74/944292174.db2.gz ZXVJNFHESYFDHL-MSOLQXFVSA-N 2 1 361.505 3.741 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000506476036 944292181 /nfs/dbraw/zinc/29/21/81/944292181.db2.gz ZXVJNFHESYFDHL-MSOLQXFVSA-N 2 1 361.505 3.741 20 0 FHADMP Cc1ccccc1C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167975877 944374132 /nfs/dbraw/zinc/37/41/32/944374132.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccccc1C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167975877 944374138 /nfs/dbraw/zinc/37/41/38/944374138.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccccc1C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167975877 944374147 /nfs/dbraw/zinc/37/41/47/944374147.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccccc1CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167975877 944374156 /nfs/dbraw/zinc/37/41/56/944374156.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP Cc1ccccc1CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167975877 944374165 /nfs/dbraw/zinc/37/41/65/944374165.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 2 1 353.554 3.564 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(Br)cc2c[nH+]cn21 ZINC001167755052 944387225 /nfs/dbraw/zinc/38/72/25/944387225.db2.gz ZJNFKZQFHFBIQT-ZDUSSCGKSA-N 2 1 351.292 3.773 20 0 FHADMP Cc1nnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837582 944392656 /nfs/dbraw/zinc/39/26/56/944392656.db2.gz PQRMIIKJLQVKDT-FQEVSTJZSA-N 2 1 354.498 3.501 20 0 FHADMP Cc1nnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837582 944392664 /nfs/dbraw/zinc/39/26/64/944392664.db2.gz PQRMIIKJLQVKDT-FQEVSTJZSA-N 2 1 354.498 3.501 20 0 FHADMP CCC[N@H+](CC1(O)CCC(C)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440465581 944396535 /nfs/dbraw/zinc/39/65/35/944396535.db2.gz ZRRDVIYGKVONPX-UHFFFAOYSA-N 2 1 374.573 3.715 20 0 FHADMP CCC[N@@H+](CC1(O)CCC(C)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440465581 944396541 /nfs/dbraw/zinc/39/65/41/944396541.db2.gz ZRRDVIYGKVONPX-UHFFFAOYSA-N 2 1 374.573 3.715 20 0 FHADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000438195445 944409869 /nfs/dbraw/zinc/40/98/69/944409869.db2.gz AKIRSXBXDDFDDM-MSOLQXFVSA-N 2 1 356.485 3.767 20 0 FHADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000438195445 944409873 /nfs/dbraw/zinc/40/98/73/944409873.db2.gz AKIRSXBXDDFDDM-MSOLQXFVSA-N 2 1 356.485 3.767 20 0 FHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)CC1 ZINC000550200264 944418502 /nfs/dbraw/zinc/41/85/02/944418502.db2.gz CPAPNBNOEJKZJR-QGZVFWFLSA-N 2 1 356.432 3.791 20 0 FHADMP COc1cc2c(cc1OC)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167978137 944435107 /nfs/dbraw/zinc/43/51/07/944435107.db2.gz KMQPWWJJCMSKQL-WVVQBRDUSA-N 2 1 370.537 3.556 20 0 FHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000893356191 944526289 /nfs/dbraw/zinc/52/62/89/944526289.db2.gz KKZLGCKESBBGIP-UHFFFAOYSA-N 2 1 364.415 3.929 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694503 944553505 /nfs/dbraw/zinc/55/35/05/944553505.db2.gz JTPZGUIUDIFJFY-XJABCFGWSA-N 2 1 361.493 3.611 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660415914 944597521 /nfs/dbraw/zinc/59/75/21/944597521.db2.gz ARSYCSGUXHYDEN-SFHVURJKSA-N 2 1 372.538 3.661 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660415914 944597531 /nfs/dbraw/zinc/59/75/31/944597531.db2.gz ARSYCSGUXHYDEN-SFHVURJKSA-N 2 1 372.538 3.661 20 0 FHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000418459499 944642541 /nfs/dbraw/zinc/64/25/41/944642541.db2.gz IXTPBDXFXAORIK-GOSISDBHSA-N 2 1 372.557 3.504 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270241 944649145 /nfs/dbraw/zinc/64/91/45/944649145.db2.gz KJWSUSWKMLNTPU-IFMALSPDSA-N 2 1 354.538 3.861 20 0 FHADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000759870681 944652843 /nfs/dbraw/zinc/65/28/43/944652843.db2.gz YJPNRTJMFNHPFX-OHNRDTAOSA-N 2 1 354.897 3.755 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000506875260 944712370 /nfs/dbraw/zinc/71/23/70/944712370.db2.gz MQPJXOCZSORNKI-UHFFFAOYSA-N 2 1 364.530 3.656 20 0 FHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742604 944722405 /nfs/dbraw/zinc/72/24/05/944722405.db2.gz JJXYFBSGLBWNJK-GOSISDBHSA-N 2 1 367.493 3.816 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572762 944789697 /nfs/dbraw/zinc/78/96/97/944789697.db2.gz GKYGZVWRVWOCHG-OALUTQOASA-N 2 1 363.571 3.654 20 0 FHADMP CC[N@H+](CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000426066449 944801806 /nfs/dbraw/zinc/80/18/06/944801806.db2.gz JXVVBMSDFDSUBU-AEFFLSMTSA-N 2 1 363.512 3.893 20 0 FHADMP CC[N@@H+](CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000426066449 944801816 /nfs/dbraw/zinc/80/18/16/944801816.db2.gz JXVVBMSDFDSUBU-AEFFLSMTSA-N 2 1 363.512 3.893 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511671690 944898427 /nfs/dbraw/zinc/89/84/27/944898427.db2.gz HNIHPAMGISACEW-SFHVURJKSA-N 2 1 371.569 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511671690 944898437 /nfs/dbraw/zinc/89/84/37/944898437.db2.gz HNIHPAMGISACEW-SFHVURJKSA-N 2 1 371.569 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511671690 944898446 /nfs/dbraw/zinc/89/84/46/944898446.db2.gz HNIHPAMGISACEW-SFHVURJKSA-N 2 1 371.569 3.911 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C2CCCCC2)CC1 ZINC000511738527 944970453 /nfs/dbraw/zinc/97/04/53/944970453.db2.gz OWMSGHKEBZNBLU-UHFFFAOYSA-N 2 1 371.569 3.810 20 0 FHADMP Fc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167965425 945063010 /nfs/dbraw/zinc/06/30/10/945063010.db2.gz FDYIACKWQQTTAK-NOTZXAQLSA-N 2 1 371.544 3.785 20 0 FHADMP Clc1sc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400784 945377841 /nfs/dbraw/zinc/37/78/41/945377841.db2.gz PSESQEWBBLXPJK-MNOVXSKESA-N 2 1 363.752 3.986 20 0 FHADMP Clc1sc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000519400784 945377849 /nfs/dbraw/zinc/37/78/49/945377849.db2.gz PSESQEWBBLXPJK-MNOVXSKESA-N 2 1 363.752 3.986 20 0 FHADMP CCO[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420688 /nfs/dbraw/zinc/42/06/88/945420688.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420692 /nfs/dbraw/zinc/42/06/92/945420692.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 2 1 366.590 3.651 20 0 FHADMP CCO[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420695 /nfs/dbraw/zinc/42/06/95/945420695.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 2 1 366.590 3.651 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280975167 945485241 /nfs/dbraw/zinc/48/52/41/945485241.db2.gz VSOGLVGYMXMPMJ-XZOQPEGZSA-N 2 1 365.521 3.669 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc3n2CCCCC3)CC1 ZINC000281122189 945523731 /nfs/dbraw/zinc/52/37/31/945523731.db2.gz XPKWXNZZEJRLAZ-UHFFFAOYSA-N 2 1 367.541 3.537 20 0 FHADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)c2)cc1 ZINC000415127430 945691108 /nfs/dbraw/zinc/69/11/08/945691108.db2.gz NAFPWQTUDPZGGT-QFIPXVFZSA-N 2 1 361.493 3.549 20 0 FHADMP COc1cc(F)c(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000651691763 945701683 /nfs/dbraw/zinc/70/16/83/945701683.db2.gz GWHUNPOPNSTETN-GOSISDBHSA-N 2 1 372.484 3.845 20 0 FHADMP C[N@@H+](Cc1cccc(-c2ccc([C@H]([NH3+])CO)c(C(F)(F)F)c2)c1)C1CC1 ZINC000629708311 945740430 /nfs/dbraw/zinc/74/04/30/945740430.db2.gz DWVXLQXHPWPLPG-LJQANCHMSA-N 2 1 364.411 3.959 20 0 FHADMP Fc1cc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001204742996 945792295 /nfs/dbraw/zinc/79/22/95/945792295.db2.gz WELDAGIAZZMBKG-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP Fc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001204742996 945792297 /nfs/dbraw/zinc/79/22/97/945792297.db2.gz WELDAGIAZZMBKG-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1csc(C(F)(F)F)c1 ZINC000925092680 945811174 /nfs/dbraw/zinc/81/11/74/945811174.db2.gz CCSKWLSNXZGVQM-QWHCGFSZSA-N 2 1 362.461 3.918 20 0 FHADMP COc1cc(OC)c(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651756247 945840869 /nfs/dbraw/zinc/84/08/69/945840869.db2.gz PAZMGDQTUZPXIP-WMZOPIPTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651756247 945840882 /nfs/dbraw/zinc/84/08/82/945840882.db2.gz PAZMGDQTUZPXIP-WMZOPIPTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(OC)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651756247 945840894 /nfs/dbraw/zinc/84/08/94/945840894.db2.gz PAZMGDQTUZPXIP-WMZOPIPTSA-N 2 1 372.484 3.843 20 0 FHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CC)c1ccccc1 ZINC000519906490 945870836 /nfs/dbraw/zinc/87/08/36/945870836.db2.gz FODQASJCOZKAEE-OAQYLSRUSA-N 2 1 357.542 3.593 20 0 FHADMP Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301648699 945893601 /nfs/dbraw/zinc/89/36/01/945893601.db2.gz FFXDUHOWWXAOEJ-UHFFFAOYSA-N 2 1 351.425 3.710 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415913100 945901698 /nfs/dbraw/zinc/90/16/98/945901698.db2.gz OVTFLFAFNQCJHI-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP Cc1nc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(C)c(C)[nH+]1 ZINC000301674799 945907774 /nfs/dbraw/zinc/90/77/74/945907774.db2.gz GXYRXHRMFRTKNG-QGZVFWFLSA-N 2 1 354.498 3.714 20 0 FHADMP CCC[NH+]1CCC(CNC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000101516466 945919266 /nfs/dbraw/zinc/91/92/66/945919266.db2.gz OBMJUPOOOGGZGJ-UHFFFAOYSA-N 2 1 359.558 3.769 20 0 FHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440836502 945949646 /nfs/dbraw/zinc/94/96/46/945949646.db2.gz ZQVVPMFELGLDDY-AWEZNQCLSA-N 2 1 366.431 3.950 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440836502 945949657 /nfs/dbraw/zinc/94/96/57/945949657.db2.gz ZQVVPMFELGLDDY-AWEZNQCLSA-N 2 1 366.431 3.950 20 0 FHADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000301982145 946065575 /nfs/dbraw/zinc/06/55/75/946065575.db2.gz AFRZDCUPQZKNJE-MRXNPFEDSA-N 2 1 353.510 3.795 20 0 FHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105366 946203270 /nfs/dbraw/zinc/20/32/70/946203270.db2.gz QWACQLUYMCQFBG-ARFHVFGLSA-N 2 1 354.441 3.649 20 0 FHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105369 946203765 /nfs/dbraw/zinc/20/37/65/946203765.db2.gz QWACQLUYMCQFBG-OAGGEKHMSA-N 2 1 354.441 3.649 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000103142837 946250135 /nfs/dbraw/zinc/25/01/35/946250135.db2.gz LDTPGZGCXZQLIX-UHFFFAOYSA-N 2 1 358.448 3.799 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752162 946310358 /nfs/dbraw/zinc/31/03/58/946310358.db2.gz UVEPHRFFUJBWCL-APWZRJJASA-N 2 1 369.509 3.953 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441235586 946327419 /nfs/dbraw/zinc/32/74/19/946327419.db2.gz SOAWYLYSPJVMPI-IAGOWNOFSA-N 2 1 363.933 3.939 20 0 FHADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441235586 946327429 /nfs/dbraw/zinc/32/74/29/946327429.db2.gz SOAWYLYSPJVMPI-IAGOWNOFSA-N 2 1 363.933 3.939 20 0 FHADMP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168056069 946341154 /nfs/dbraw/zinc/34/11/54/946341154.db2.gz BXXQZRHDPYUZFG-ZDRNMDQLSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168056069 946341163 /nfs/dbraw/zinc/34/11/63/946341163.db2.gz BXXQZRHDPYUZFG-ZDRNMDQLSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341194 /nfs/dbraw/zinc/34/11/94/946341194.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341205 /nfs/dbraw/zinc/34/12/05/946341205.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341212 /nfs/dbraw/zinc/34/12/12/946341212.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 3 1 355.570 3.702 20 0 FHADMP CCC[N@H+]1C[C@@H]2C[NH+](C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341220 /nfs/dbraw/zinc/34/12/20/946341220.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341229 /nfs/dbraw/zinc/34/12/29/946341229.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341235 /nfs/dbraw/zinc/34/12/35/946341235.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 2 1 355.570 3.702 20 0 FHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341243 /nfs/dbraw/zinc/34/12/43/946341243.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 2 1 355.570 3.702 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000248441138 946342932 /nfs/dbraw/zinc/34/29/32/946342932.db2.gz JZLGIRZKEOAMLU-YLJYHZDGSA-N 2 1 372.509 3.719 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc2ccccc21 ZINC000441250395 946345636 /nfs/dbraw/zinc/34/56/36/946345636.db2.gz QMFOWGWYRATSPK-NWSQWKLXSA-N 2 1 368.521 3.792 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067324 946356414 /nfs/dbraw/zinc/35/64/14/946356414.db2.gz TYYBJOURNCFNIU-HUMDQVGNSA-N 2 1 373.560 3.936 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC001204651510 946448487 /nfs/dbraw/zinc/44/84/87/946448487.db2.gz PKLJMACZAOFEAO-UHFFFAOYSA-N 2 1 367.578 3.689 20 0 FHADMP CCc1ccc(-c2ccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)o2)cc1 ZINC000441346958 946499610 /nfs/dbraw/zinc/49/96/10/946499610.db2.gz OIEJQIUPWMYYJL-UHFFFAOYSA-N 2 1 355.526 3.625 20 0 FHADMP C[C@H](OC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363685 946509612 /nfs/dbraw/zinc/50/96/12/946509612.db2.gz KBPDXUVWWCEBHP-DBVUQKKJSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000441363685 946509618 /nfs/dbraw/zinc/50/96/18/946509618.db2.gz KBPDXUVWWCEBHP-DBVUQKKJSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000441363685 946509622 /nfs/dbraw/zinc/50/96/22/946509622.db2.gz KBPDXUVWWCEBHP-DBVUQKKJSA-N 2 1 368.949 3.585 20 0 FHADMP Cc1nnc([C@@H]2CCC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058207 946607055 /nfs/dbraw/zinc/60/70/55/946607055.db2.gz PCYCNKFTBDGLDH-ABSDTBQOSA-N 2 1 368.525 3.999 20 0 FHADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000520428368 946616128 /nfs/dbraw/zinc/61/61/28/946616128.db2.gz RWMRMBOMMJQOOL-INIZCTEOSA-N 2 1 350.466 3.861 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000104694108 946711965 /nfs/dbraw/zinc/71/19/65/946711965.db2.gz RRIIXMDXEIJGGL-UHFFFAOYSA-N 2 1 354.542 3.897 20 0 FHADMP COC(=O)[C@@H]1C[C@H](C)C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059899 946742668 /nfs/dbraw/zinc/74/26/68/946742668.db2.gz HKPMYTMAYHXNSY-JRBPQWBISA-N 2 1 358.526 3.559 20 0 FHADMP Cc1nnc(C2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)o1 ZINC001168060347 946783767 /nfs/dbraw/zinc/78/37/67/946783767.db2.gz WSUJTTLRLZTMCA-UPHUGPLXSA-N 2 1 368.525 3.999 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179106772 946825737 /nfs/dbraw/zinc/82/57/37/946825737.db2.gz PBCKEZCIVDSZOI-QGZVFWFLSA-N 2 1 372.944 3.723 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347418 946885433 /nfs/dbraw/zinc/88/54/33/946885433.db2.gz AMTCRRLDEIGSLV-MZKRTTBSSA-N 2 1 368.521 3.827 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Br)cc3cccnc31)C2 ZINC000652352387 946902977 /nfs/dbraw/zinc/90/29/77/946902977.db2.gz OPUVIGMTTCYXLB-YJBOKZPZSA-N 2 1 360.299 3.558 20 0 FHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Br)cc3cccnc31)C2 ZINC000652352387 946902988 /nfs/dbraw/zinc/90/29/88/946902988.db2.gz OPUVIGMTTCYXLB-YJBOKZPZSA-N 2 1 360.299 3.558 20 0 FHADMP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995815 947036168 /nfs/dbraw/zinc/03/61/68/947036168.db2.gz QPDLNZQHYNDANN-ZZJWQFMZSA-N 2 1 362.464 3.823 20 0 FHADMP Fc1ccc(F)c(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995815 947036183 /nfs/dbraw/zinc/03/61/83/947036183.db2.gz QPDLNZQHYNDANN-ZZJWQFMZSA-N 2 1 362.464 3.823 20 0 FHADMP Fc1ccc(F)c(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167995815 947036193 /nfs/dbraw/zinc/03/61/93/947036193.db2.gz QPDLNZQHYNDANN-ZZJWQFMZSA-N 2 1 362.464 3.823 20 0 FHADMP Fc1ccc(F)c(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995815 947036203 /nfs/dbraw/zinc/03/62/03/947036203.db2.gz QPDLNZQHYNDANN-ZZJWQFMZSA-N 2 1 362.464 3.823 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444669989 947094423 /nfs/dbraw/zinc/09/44/23/947094423.db2.gz HRAPHVAVLGHTMS-WIYYLYMNSA-N 2 1 369.578 3.873 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918508 947105915 /nfs/dbraw/zinc/10/59/15/947105915.db2.gz IICMEETVRSXQCO-QUCCMNQESA-N 2 1 351.494 3.515 20 0 FHADMP CCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000665630029 947106036 /nfs/dbraw/zinc/10/60/36/947106036.db2.gz WAVHVAOCNANACM-LJQANCHMSA-N 2 1 369.513 3.613 20 0 FHADMP CCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000665630029 947106044 /nfs/dbraw/zinc/10/60/44/947106044.db2.gz WAVHVAOCNANACM-LJQANCHMSA-N 2 1 369.513 3.613 20 0 FHADMP FC(F)(F)COCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245681703 947219935 /nfs/dbraw/zinc/21/99/35/947219935.db2.gz IZZDZPMMVCZFJQ-BCDXTJNWSA-N 2 1 356.432 3.741 20 0 FHADMP COCCCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246112140 947234804 /nfs/dbraw/zinc/23/48/04/947234804.db2.gz JUHUVTZMZWPAOA-SIKLNZKXSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246112140 947234814 /nfs/dbraw/zinc/23/48/14/947234814.db2.gz JUHUVTZMZWPAOA-SIKLNZKXSA-N 2 1 358.526 3.551 20 0 FHADMP COCCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246112140 947234824 /nfs/dbraw/zinc/23/48/24/947234824.db2.gz JUHUVTZMZWPAOA-SIKLNZKXSA-N 2 1 358.526 3.551 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCC1(C[NH3+])CC1)C1CCCCC1 ZINC000652562574 947357685 /nfs/dbraw/zinc/35/76/85/947357685.db2.gz HGOJJCWEQKWGAL-UHFFFAOYSA-N 2 1 358.530 3.702 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188970682 947568992 /nfs/dbraw/zinc/56/89/92/947568992.db2.gz IKFIRWSQRODGRG-UHFFFAOYSA-N 2 1 360.477 3.820 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188970682 947568995 /nfs/dbraw/zinc/56/89/95/947568995.db2.gz IKFIRWSQRODGRG-UHFFFAOYSA-N 2 1 360.477 3.820 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188970682 947568999 /nfs/dbraw/zinc/56/89/99/947568999.db2.gz IKFIRWSQRODGRG-UHFFFAOYSA-N 2 1 360.477 3.820 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189044612 947611794 /nfs/dbraw/zinc/61/17/94/947611794.db2.gz CAFJVQNJCCBHSR-SFHVURJKSA-N 2 1 358.505 3.672 20 0 FHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000662249499 947672800 /nfs/dbraw/zinc/67/28/00/947672800.db2.gz VTZLTTOAIUDADL-FQEVSTJZSA-N 2 1 352.478 3.687 20 0 FHADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)nc2c1 ZINC000662275875 947700038 /nfs/dbraw/zinc/70/00/38/947700038.db2.gz BUBSDMWHFOHQAJ-IBGZPJMESA-N 2 1 360.505 3.897 20 0 FHADMP Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cccc5c4CC[NH2+]C5)C3)[nH]c2c1 ZINC000662275875 947700041 /nfs/dbraw/zinc/70/00/41/947700041.db2.gz BUBSDMWHFOHQAJ-IBGZPJMESA-N 2 1 360.505 3.897 20 0 FHADMP Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)[nH]c2c1 ZINC000662275875 947700052 /nfs/dbraw/zinc/70/00/52/947700052.db2.gz BUBSDMWHFOHQAJ-IBGZPJMESA-N 2 1 360.505 3.897 20 0 FHADMP Clc1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662291931 947713983 /nfs/dbraw/zinc/71/39/83/947713983.db2.gz ZNYOMAFCRMBPTJ-MRXNPFEDSA-N 2 1 360.889 3.602 20 0 FHADMP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295229 947717914 /nfs/dbraw/zinc/71/79/14/947717914.db2.gz GCXGNJRNVZXXJT-MRXNPFEDSA-N 2 1 360.889 3.602 20 0 FHADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662296531 947722405 /nfs/dbraw/zinc/72/24/05/947722405.db2.gz LROIQQCIURPYOB-KRWDZBQOSA-N 2 1 374.916 3.644 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662314438 947743242 /nfs/dbraw/zinc/74/32/42/947743242.db2.gz PCIJPELGSJSPSI-IAQYHMDHSA-N 2 1 360.727 3.837 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662314438 947743251 /nfs/dbraw/zinc/74/32/51/947743251.db2.gz PCIJPELGSJSPSI-IAQYHMDHSA-N 2 1 360.727 3.837 20 0 FHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322007 947749137 /nfs/dbraw/zinc/74/91/37/947749137.db2.gz SRXSNXVACQAJOK-SFHVURJKSA-N 2 1 358.448 3.681 20 0 FHADMP C[C@H](c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325755 947751139 /nfs/dbraw/zinc/75/11/39/947751139.db2.gz JKYPYQXVFOSICJ-QAPCUYQASA-N 2 1 358.448 3.895 20 0 FHADMP C[C@H](c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1)C(F)(F)F ZINC000662325755 947751144 /nfs/dbraw/zinc/75/11/44/947751144.db2.gz JKYPYQXVFOSICJ-QAPCUYQASA-N 2 1 358.448 3.895 20 0 FHADMP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC1)CC2 ZINC000662327134 947751226 /nfs/dbraw/zinc/75/12/26/947751226.db2.gz KDNXGFPFSSUEBK-QFIPXVFZSA-N 2 1 368.500 3.883 20 0 FHADMP Fc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344941 947810401 /nfs/dbraw/zinc/81/04/01/947810401.db2.gz ZMEZLOFICVKFLP-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344941 947810410 /nfs/dbraw/zinc/81/04/10/947810410.db2.gz ZMEZLOFICVKFLP-AWEZNQCLSA-N 2 1 355.295 3.800 20 0 FHADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1OC(F)F ZINC000663346631 947815988 /nfs/dbraw/zinc/81/59/88/947815988.db2.gz BKKBFVQTIUJFGF-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1OC(F)F ZINC000663346631 947815994 /nfs/dbraw/zinc/81/59/94/947815994.db2.gz BKKBFVQTIUJFGF-HNNXBMFYSA-N 2 1 354.441 3.508 20 0 FHADMP Fc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347528 947820456 /nfs/dbraw/zinc/82/04/56/947820456.db2.gz NFPJWMXBDNDDJC-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347528 947820462 /nfs/dbraw/zinc/82/04/62/947820462.db2.gz NFPJWMXBDNDDJC-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP c1cc(COc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2)ccn1 ZINC000663347590 947820476 /nfs/dbraw/zinc/82/04/76/947820476.db2.gz PMPJAMXGLAYDDQ-QFIPXVFZSA-N 2 1 365.521 3.872 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675948 947973893 /nfs/dbraw/zinc/97/38/93/947973893.db2.gz RHTIVPDGZILVMD-JLTOFOAXSA-N 2 1 373.447 3.978 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675948 947973894 /nfs/dbraw/zinc/97/38/94/947973894.db2.gz RHTIVPDGZILVMD-JLTOFOAXSA-N 2 1 373.447 3.978 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662675900 947973911 /nfs/dbraw/zinc/97/39/11/947973911.db2.gz QGEDEZUWHWMXGF-KRWDZBQOSA-N 2 1 363.505 3.959 20 0 FHADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467978 948054341 /nfs/dbraw/zinc/05/43/41/948054341.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467978 948054348 /nfs/dbraw/zinc/05/43/48/948054348.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467978 948054355 /nfs/dbraw/zinc/05/43/55/948054355.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467978 948054359 /nfs/dbraw/zinc/05/43/59/948054359.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467978 948054364 /nfs/dbraw/zinc/05/43/64/948054364.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467978 948054372 /nfs/dbraw/zinc/05/43/72/948054372.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467978 948054379 /nfs/dbraw/zinc/05/43/79/948054379.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 3 1 355.570 3.609 20 0 FHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663466970 948056616 /nfs/dbraw/zinc/05/66/16/948056616.db2.gz CIHBXWQEJZZYMD-HKUYNNGSSA-N 2 1 372.557 3.989 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470146 948064429 /nfs/dbraw/zinc/06/44/29/948064429.db2.gz SLPOPXNNOJIETD-WMZOPIPTSA-N 2 1 370.541 3.743 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778217 948076225 /nfs/dbraw/zinc/07/62/25/948076225.db2.gz SACAILLXKLIKKA-TZMCWYRMSA-N 2 1 352.347 3.871 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823778 948103099 /nfs/dbraw/zinc/10/30/99/948103099.db2.gz AABUVKFDSNKVBZ-ZIAGYGMSSA-N 2 1 362.440 3.778 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncc(Br)cc2C1 ZINC001167824683 948112478 /nfs/dbraw/zinc/11/24/78/948112478.db2.gz FGCXUKDCKTVMDB-CQSZACIVSA-N 2 1 354.336 3.713 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167825741 948126466 /nfs/dbraw/zinc/12/64/66/948126466.db2.gz SVLGUTNBHAQLGO-HLAWJBBLSA-N 2 1 352.563 3.547 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001167826241 948128778 /nfs/dbraw/zinc/12/87/78/948128778.db2.gz NFQWUHIWXJXLEQ-KRWDZBQOSA-N 2 1 356.514 3.648 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001167833443 948225147 /nfs/dbraw/zinc/22/51/47/948225147.db2.gz BJVBSJNWBSDAKO-UYAOXDASSA-N 2 1 357.542 3.617 20 0 FHADMP c1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1C[NH2+]Cc1ccccc1 ZINC001168002722 948266929 /nfs/dbraw/zinc/26/69/29/948266929.db2.gz WCXWKUMEZGNOJO-CBQGHPETSA-N 2 1 350.510 3.751 20 0 FHADMP c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1C[NH2+]Cc1ccccc1 ZINC001168002722 948266935 /nfs/dbraw/zinc/26/69/35/948266935.db2.gz WCXWKUMEZGNOJO-CBQGHPETSA-N 2 1 350.510 3.751 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001167834776 948269624 /nfs/dbraw/zinc/26/96/24/948269624.db2.gz MURMWGCPMHQOQD-ZWKOTPCHSA-N 2 1 363.521 3.530 20 0 FHADMP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512050590 948309794 /nfs/dbraw/zinc/30/97/94/948309794.db2.gz DCTOUGGHBQPCKH-HKUYNNGSSA-N 2 1 359.539 3.993 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410817 948355680 /nfs/dbraw/zinc/35/56/80/948355680.db2.gz RYUFDUWRSVSNPS-CRAIPNDOSA-N 2 1 369.347 3.991 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410817 948355686 /nfs/dbraw/zinc/35/56/86/948355686.db2.gz RYUFDUWRSVSNPS-CRAIPNDOSA-N 2 1 369.347 3.991 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000278984783 948366302 /nfs/dbraw/zinc/36/63/02/948366302.db2.gz PIQMPEFSRWKIFY-UONOGXRCSA-N 2 1 353.388 3.737 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000192516182 948405919 /nfs/dbraw/zinc/40/59/19/948405919.db2.gz KTFBNZFQQMYHHS-HTAPYJJXSA-N 2 1 351.494 3.731 20 0 FHADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000279077334 948477081 /nfs/dbraw/zinc/47/70/81/948477081.db2.gz GSYUJRQYFSAHAO-UHFFFAOYSA-N 2 1 373.566 3.687 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000507792804 948531897 /nfs/dbraw/zinc/53/18/97/948531897.db2.gz IDOMNZDZBASBSP-PXNSSMCTSA-N 2 1 358.505 3.893 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000507792804 948531904 /nfs/dbraw/zinc/53/19/04/948531904.db2.gz IDOMNZDZBASBSP-PXNSSMCTSA-N 2 1 358.505 3.893 20 0 FHADMP FC(F)CN1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520667046 948535132 /nfs/dbraw/zinc/53/51/32/948535132.db2.gz ZXKPPPPTGJXXMC-LJQANCHMSA-N 2 1 365.512 3.608 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCCC2)cc1)C(C)C ZINC000512157091 948579793 /nfs/dbraw/zinc/57/97/93/948579793.db2.gz BLMPQHOQGWEUTR-UHFFFAOYSA-N 2 1 359.558 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1)C(C)C ZINC000512157091 948579796 /nfs/dbraw/zinc/57/97/96/948579796.db2.gz BLMPQHOQGWEUTR-UHFFFAOYSA-N 2 1 359.558 3.911 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1)C(C)C ZINC000512157091 948579802 /nfs/dbraw/zinc/57/98/02/948579802.db2.gz BLMPQHOQGWEUTR-UHFFFAOYSA-N 2 1 359.558 3.911 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000520732909 948761244 /nfs/dbraw/zinc/76/12/44/948761244.db2.gz WJICHCKCTAVHNV-FQEVSTJZSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000520732909 948761255 /nfs/dbraw/zinc/76/12/55/948761255.db2.gz WJICHCKCTAVHNV-FQEVSTJZSA-N 2 1 357.542 3.665 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000520732909 948761265 /nfs/dbraw/zinc/76/12/65/948761265.db2.gz WJICHCKCTAVHNV-FQEVSTJZSA-N 2 1 357.542 3.665 20 0 FHADMP Cc1ccc2cc(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)ccc2n1 ZINC000187078783 948785991 /nfs/dbraw/zinc/78/59/91/948785991.db2.gz DRCITGRNKWHNTR-WOJBJXKFSA-N 2 1 366.553 3.534 20 0 FHADMP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120004 568224730 /nfs/dbraw/zinc/22/47/30/568224730.db2.gz OKRCFQUIYWGGOW-XZOQPEGZSA-N 2 1 364.533 3.767 20 0 FHADMP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120004 568224731 /nfs/dbraw/zinc/22/47/31/568224731.db2.gz OKRCFQUIYWGGOW-XZOQPEGZSA-N 2 1 364.533 3.767 20 0 FHADMP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563120089 568224788 /nfs/dbraw/zinc/22/47/88/568224788.db2.gz QXONMVQBMBTDLY-LJQANCHMSA-N 2 1 360.567 3.685 20 0 FHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563120089 568224789 /nfs/dbraw/zinc/22/47/89/568224789.db2.gz QXONMVQBMBTDLY-LJQANCHMSA-N 2 1 360.567 3.685 20 0 FHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563135102 568267143 /nfs/dbraw/zinc/26/71/43/568267143.db2.gz FVEDHWDUHIIERG-OAQYLSRUSA-N 2 1 366.505 3.550 20 0 FHADMP Clc1ccsc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390843085 568319747 /nfs/dbraw/zinc/31/97/47/568319747.db2.gz FAFBJNJTTUOETF-MRXNPFEDSA-N 2 1 350.915 3.782 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2cnc(C4CC4)nc2)C3)cc1 ZINC000365239647 568348054 /nfs/dbraw/zinc/34/80/54/568348054.db2.gz WUUHKHUUEXFZPO-KOUNCHBCSA-N 2 1 362.521 3.682 20 0 FHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604774370 568364173 /nfs/dbraw/zinc/36/41/73/568364173.db2.gz TUZQEYWRHFCFHU-QUCCMNQESA-N 2 1 361.574 3.768 20 0 FHADMP CC1(C)C[NH+](Cc2ccc(C[N@H+]3CCCOC(C)(C)C3)cc2)CCCO1 ZINC000604999094 568512390 /nfs/dbraw/zinc/51/23/90/568512390.db2.gz MDJFSZQTDBADLW-UHFFFAOYSA-N 2 1 360.542 3.688 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820437847 599367566 /nfs/dbraw/zinc/36/75/66/599367566.db2.gz DVTOZXLCONAAGQ-MRXNPFEDSA-N 2 1 364.497 3.558 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820697933 607013968 /nfs/dbraw/zinc/01/39/68/607013968.db2.gz OEAGPGXBFLGXOB-GUXCAODWSA-N 2 1 368.529 3.560 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820697934 607013975 /nfs/dbraw/zinc/01/39/75/607013975.db2.gz OEAGPGXBFLGXOB-JXXFODFXSA-N 2 1 368.529 3.560 20 0 FHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001164417229 718892360 /nfs/dbraw/zinc/89/23/60/718892360.db2.gz IJTXLZSKKPUAQX-GOSISDBHSA-N 2 1 362.949 3.689 20 0 FHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC001164417971 718893480 /nfs/dbraw/zinc/89/34/80/718893480.db2.gz MACMJXJFRSENDU-NHCUHLMSSA-N 2 1 356.558 3.987 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc(N5CCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001164630893 719088307 /nfs/dbraw/zinc/08/83/07/719088307.db2.gz XHKCIENNSIHBJK-IFMALSPDSA-N 2 1 362.521 3.783 20 0 FHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c([nH+]2)CCC4)CC3)cs1 ZINC001164691939 719807074 /nfs/dbraw/zinc/80/70/74/719807074.db2.gz AZEUSDHSHDNWNF-UHFFFAOYSA-N 2 1 368.550 3.970 20 0 FHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4c([nH+]2)CCC4)CC3)cs1 ZINC001164691939 719807076 /nfs/dbraw/zinc/80/70/76/719807076.db2.gz AZEUSDHSHDNWNF-UHFFFAOYSA-N 2 1 368.550 3.970 20 0 FHADMP CCOc1cc[nH+]c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164692092 719808727 /nfs/dbraw/zinc/80/87/27/719808727.db2.gz FUYBLBJBJIGFHG-UHFFFAOYSA-N 2 1 372.538 3.880 20 0 FHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)c1ccnc(Cl)c1 ZINC001164732610 720547274 /nfs/dbraw/zinc/54/72/74/720547274.db2.gz ABEWTTAHORGUTG-MRXNPFEDSA-N 2 1 365.949 3.982 20 0 FHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770721 721299713 /nfs/dbraw/zinc/29/97/13/721299713.db2.gz URWIHXOTTZGHKO-UHFFFAOYSA-N 2 1 362.521 3.757 20 0 FHADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001165025647 721826261 /nfs/dbraw/zinc/82/62/61/721826261.db2.gz NFDBMBIJAGCCTF-TYPHKJRUSA-N 2 1 350.510 3.830 20 0 FHADMP CN(C)c1cccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164992845 722193809 /nfs/dbraw/zinc/19/38/09/722193809.db2.gz BEGUJIIXIOFJAN-NRFANRHFSA-N 2 1 354.473 3.532 20 0 FHADMP CN(C)c1cccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164992845 722193811 /nfs/dbraw/zinc/19/38/11/722193811.db2.gz BEGUJIIXIOFJAN-NRFANRHFSA-N 2 1 354.473 3.532 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)C[C@H]1c1ccccc1 ZINC000583015273 936368727 /nfs/dbraw/zinc/36/87/27/936368727.db2.gz VGAYWQYBMCRFDB-UFYCRDLUSA-N 2 1 360.567 3.856 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)C[C@H]1c1ccccc1 ZINC000583015273 936368731 /nfs/dbraw/zinc/36/87/31/936368731.db2.gz VGAYWQYBMCRFDB-UFYCRDLUSA-N 2 1 360.567 3.856 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000583025059 936376309 /nfs/dbraw/zinc/37/63/09/936376309.db2.gz OVPJOZHHHIFQJP-SFHVURJKSA-N 2 1 370.468 3.805 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)CC1 ZINC000583041949 936388256 /nfs/dbraw/zinc/38/82/56/936388256.db2.gz RFEPXRIYQIDITK-UHFFFAOYSA-N 2 1 368.525 3.611 20 0 FHADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546185 927423404 /nfs/dbraw/zinc/42/34/04/927423404.db2.gz KBQSWVNGLLYROV-ZBFHGGJFSA-N 2 1 365.315 3.927 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000109022003 928034445 /nfs/dbraw/zinc/03/44/45/928034445.db2.gz HTCSORMXDNZPNX-UHFFFAOYSA-N 2 1 367.537 3.910 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274761669 928105209 /nfs/dbraw/zinc/10/52/09/928105209.db2.gz KCPOBVCXNPGGJQ-KXBFYZLASA-N 2 1 359.901 3.543 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274761669 928105222 /nfs/dbraw/zinc/10/52/22/928105222.db2.gz KCPOBVCXNPGGJQ-KXBFYZLASA-N 2 1 359.901 3.543 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606065 928231771 /nfs/dbraw/zinc/23/17/71/928231771.db2.gz DOJPFIIXPABUIJ-WIYYLYMNSA-N 2 1 365.562 3.584 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606065 928231785 /nfs/dbraw/zinc/23/17/85/928231785.db2.gz DOJPFIIXPABUIJ-WIYYLYMNSA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606065 928231797 /nfs/dbraw/zinc/23/17/97/928231797.db2.gz DOJPFIIXPABUIJ-WIYYLYMNSA-N 2 1 365.562 3.584 20 0 FHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001208606065 928231808 /nfs/dbraw/zinc/23/18/08/928231808.db2.gz DOJPFIIXPABUIJ-WIYYLYMNSA-N 2 1 365.562 3.584 20 0 FHADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000650131235 928291795 /nfs/dbraw/zinc/29/17/95/928291795.db2.gz AUHOHYTXCDLZIX-KRWDZBQOSA-N 2 1 366.571 3.785 20 0 FHADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000650131235 928291806 /nfs/dbraw/zinc/29/18/06/928291806.db2.gz AUHOHYTXCDLZIX-KRWDZBQOSA-N 2 1 366.571 3.785 20 0 FHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000579844480 928406842 /nfs/dbraw/zinc/40/68/42/928406842.db2.gz CAFAOEAKWZUECL-APWZRJJASA-N 2 1 366.509 3.767 20 0 FHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000579844480 928406848 /nfs/dbraw/zinc/40/68/48/928406848.db2.gz CAFAOEAKWZUECL-APWZRJJASA-N 2 1 366.509 3.767 20 0 FHADMP CC[N@@H+](CCCC1CC[NH+](CC2CCOCC2)CC1)CC1CCOCC1 ZINC000179599269 928851486 /nfs/dbraw/zinc/85/14/86/928851486.db2.gz CKFPMFHDCLUCHG-UHFFFAOYSA-N 2 1 366.590 3.654 20 0 FHADMP Cc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)CCC2 ZINC000162769658 937283194 /nfs/dbraw/zinc/28/31/94/937283194.db2.gz VWZISSNURYDNGC-KRWDZBQOSA-N 2 1 374.554 3.936 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(Cl)cn3)CC2)oc1C ZINC000274946538 929076329 /nfs/dbraw/zinc/07/63/29/929076329.db2.gz UNFLPWSCIXGUDX-AWEZNQCLSA-N 2 1 362.905 3.903 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000537949740 929395354 /nfs/dbraw/zinc/39/53/54/929395354.db2.gz SVYLUAMGFFBGJZ-MLGOLLRUSA-N 2 1 359.739 3.965 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180170027 929412658 /nfs/dbraw/zinc/41/26/58/929412658.db2.gz RPBSRJLTOOVMIC-TYRBBEMBSA-N 2 1 374.594 3.566 20 0 FHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180170027 929412660 /nfs/dbraw/zinc/41/26/60/929412660.db2.gz RPBSRJLTOOVMIC-TYRBBEMBSA-N 2 1 374.594 3.566 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180235615 929427011 /nfs/dbraw/zinc/42/70/11/929427011.db2.gz UQBODDAPIZBTET-JOCHJYFZSA-N 2 1 352.522 3.645 20 0 FHADMP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)c1 ZINC000657750099 937339483 /nfs/dbraw/zinc/33/94/83/937339483.db2.gz AANQJIYKOBVSBQ-SFHVURJKSA-N 2 1 360.498 3.897 20 0 FHADMP COCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122056947 929654398 /nfs/dbraw/zinc/65/43/98/929654398.db2.gz YPRBXQPAYAASRN-UHFFFAOYSA-N 2 1 356.485 3.769 20 0 FHADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843371 929764699 /nfs/dbraw/zinc/76/46/99/929764699.db2.gz XFDZREKDTXHCGS-IBGZPJMESA-N 2 1 351.494 3.713 20 0 FHADMP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843371 929764704 /nfs/dbraw/zinc/76/47/04/929764704.db2.gz XFDZREKDTXHCGS-IBGZPJMESA-N 2 1 351.494 3.713 20 0 FHADMP C[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843371 929764713 /nfs/dbraw/zinc/76/47/13/929764713.db2.gz XFDZREKDTXHCGS-IBGZPJMESA-N 2 1 351.494 3.713 20 0 FHADMP C[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843371 929764719 /nfs/dbraw/zinc/76/47/19/929764719.db2.gz XFDZREKDTXHCGS-IBGZPJMESA-N 2 1 351.494 3.713 20 0 FHADMP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000683723959 929930212 /nfs/dbraw/zinc/93/02/12/929930212.db2.gz YXWAIPPMLINBEW-QFIPXVFZSA-N 2 1 350.506 3.546 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000160387449 930280428 /nfs/dbraw/zinc/28/04/28/930280428.db2.gz GVIBGRFGAZUVMN-WMLDXEAASA-N 2 1 366.937 3.552 20 0 FHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc(-c2ccccc2)cs1 ZINC000580129300 930284058 /nfs/dbraw/zinc/28/40/58/930284058.db2.gz UPPGOOOMBSAECP-IBGZPJMESA-N 2 1 372.582 3.658 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000379631835 930483588 /nfs/dbraw/zinc/48/35/88/930483588.db2.gz MEWIFLQWCOCIQL-APWZRJJASA-N 2 1 370.468 3.755 20 0 FHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000379631835 930483593 /nfs/dbraw/zinc/48/35/93/930483593.db2.gz MEWIFLQWCOCIQL-APWZRJJASA-N 2 1 370.468 3.755 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000382352530 930529031 /nfs/dbraw/zinc/52/90/31/930529031.db2.gz JXIMNTPUDALUJY-OAQYLSRUSA-N 2 1 372.582 3.991 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000382352530 930529037 /nfs/dbraw/zinc/52/90/37/930529037.db2.gz JXIMNTPUDALUJY-OAQYLSRUSA-N 2 1 372.582 3.991 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)n[nH]1 ZINC000275852348 930548262 /nfs/dbraw/zinc/54/82/62/930548262.db2.gz IEUPNXGBFFKROB-MRXNPFEDSA-N 2 1 364.497 3.532 20 0 FHADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381351 930598125 /nfs/dbraw/zinc/59/81/25/930598125.db2.gz ZGYNVMJXPKXTOW-WMZOPIPTSA-N 2 1 372.475 3.707 20 0 FHADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381351 930598128 /nfs/dbraw/zinc/59/81/28/930598128.db2.gz ZGYNVMJXPKXTOW-WMZOPIPTSA-N 2 1 372.475 3.707 20 0 FHADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381348 930598155 /nfs/dbraw/zinc/59/81/55/930598155.db2.gz ZGYNVMJXPKXTOW-AEFFLSMTSA-N 2 1 372.475 3.707 20 0 FHADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C1CC1 ZINC000580381348 930598160 /nfs/dbraw/zinc/59/81/60/930598160.db2.gz ZGYNVMJXPKXTOW-AEFFLSMTSA-N 2 1 372.475 3.707 20 0 FHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600964704 937427898 /nfs/dbraw/zinc/42/78/98/937427898.db2.gz URNNWFGMIPSXJY-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000600964704 937427900 /nfs/dbraw/zinc/42/79/00/937427900.db2.gz URNNWFGMIPSXJY-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000600964704 937427901 /nfs/dbraw/zinc/42/79/01/937427901.db2.gz URNNWFGMIPSXJY-OAQYLSRUSA-N 2 1 357.542 3.552 20 0 FHADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969386 930913570 /nfs/dbraw/zinc/91/35/70/930913570.db2.gz GAZUFJIPIQMGFK-UHFFFAOYSA-N 2 1 357.542 3.730 20 0 FHADMP C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CCS[C@H](C)CC3)c2)CCS1 ZINC000580695725 931023908 /nfs/dbraw/zinc/02/39/08/931023908.db2.gz SVDLWQXOIDZMJT-IAGOWNOFSA-N 2 1 365.612 3.736 20 0 FHADMP COc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154557716 931249704 /nfs/dbraw/zinc/24/97/04/931249704.db2.gz DYSHQLPJCXXRLY-UHFFFAOYSA-N 2 1 356.485 3.674 20 0 FHADMP Cc1ccn(-c2ccccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000127577313 931352173 /nfs/dbraw/zinc/35/21/73/931352173.db2.gz LZPBPSAUUBGINP-UHFFFAOYSA-N 2 1 374.532 3.977 20 0 FHADMP COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976626 931672239 /nfs/dbraw/zinc/67/22/39/931672239.db2.gz PWEIRDLKXKHUQV-UHFFFAOYSA-N 2 1 372.509 3.842 20 0 FHADMP COCCNc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155304 931709641 /nfs/dbraw/zinc/70/96/41/931709641.db2.gz RRYNRDDFCYMGHF-DENIHFKCSA-N 2 1 367.537 3.745 20 0 FHADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000581243361 931729252 /nfs/dbraw/zinc/72/92/52/931729252.db2.gz DDZBYJWVFPBOGN-KDOFPFPSSA-N 2 1 374.916 3.839 20 0 FHADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000430557413 931831411 /nfs/dbraw/zinc/83/14/11/931831411.db2.gz WOFXEBMLHNZSHA-OAHLLOKOSA-N 2 1 351.922 3.605 20 0 FHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430569497 931905272 /nfs/dbraw/zinc/90/52/72/931905272.db2.gz HXBNRAUIOWJGOA-OAQYLSRUSA-N 2 1 355.482 3.771 20 0 FHADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246107448 931906796 /nfs/dbraw/zinc/90/67/96/931906796.db2.gz BPGOKIAXWHQTBK-YGPBLSMFSA-N 2 1 365.562 3.769 20 0 FHADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246107448 931906800 /nfs/dbraw/zinc/90/68/00/931906800.db2.gz BPGOKIAXWHQTBK-YGPBLSMFSA-N 2 1 365.562 3.769 20 0 FHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574045 931915380 /nfs/dbraw/zinc/91/53/80/931915380.db2.gz SDACETHMSDYEPL-MSOLQXFVSA-N 2 1 367.493 3.867 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(C)c1 ZINC000581385751 931928358 /nfs/dbraw/zinc/92/83/58/931928358.db2.gz OBJRGBRUHKLRRP-HSZRJFAPSA-N 2 1 351.538 3.983 20 0 FHADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000430579426 931943914 /nfs/dbraw/zinc/94/39/14/931943914.db2.gz GIHUUNKRILDUNO-UHFFFAOYSA-N 2 1 368.403 3.577 20 0 FHADMP CCc1nc(C(C)C)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000581554479 932244646 /nfs/dbraw/zinc/24/46/46/932244646.db2.gz KZBDAHALKFACDZ-WCRBZPEASA-N 2 1 370.585 3.510 20 0 FHADMP CCc1nc(C(C)C)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000581554479 932244652 /nfs/dbraw/zinc/24/46/52/932244652.db2.gz KZBDAHALKFACDZ-WCRBZPEASA-N 2 1 370.585 3.510 20 0 FHADMP FC(F)CN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647177209 932599912 /nfs/dbraw/zinc/59/99/12/932599912.db2.gz QALLBZKIVUQMTR-IBGZPJMESA-N 2 1 363.496 3.503 20 0 FHADMP FC(F)CN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647177209 932599919 /nfs/dbraw/zinc/59/99/19/932599919.db2.gz QALLBZKIVUQMTR-IBGZPJMESA-N 2 1 363.496 3.503 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844104 932732002 /nfs/dbraw/zinc/73/20/02/932732002.db2.gz UURGNVIYDKLYKP-NQIIRXRSSA-N 2 1 369.578 3.749 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844104 932732008 /nfs/dbraw/zinc/73/20/08/932732008.db2.gz UURGNVIYDKLYKP-NQIIRXRSSA-N 2 1 369.578 3.749 20 0 FHADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000510467520 932738019 /nfs/dbraw/zinc/73/80/19/932738019.db2.gz NGLMMQOCVJZXEF-UHFFFAOYSA-N 2 1 374.481 3.534 20 0 FHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)c2cccs2)CC1 ZINC000548259220 932750405 /nfs/dbraw/zinc/75/04/05/932750405.db2.gz GXOZJZGLVXSFSA-QGZVFWFLSA-N 2 1 367.921 3.619 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000581882757 932830609 /nfs/dbraw/zinc/83/06/09/932830609.db2.gz NEWCPOJZZCLEIH-BRWVUGGUSA-N 2 1 367.493 3.568 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000157663091 933005188 /nfs/dbraw/zinc/00/51/88/933005188.db2.gz LSWJIGFHYGURCT-KRWDZBQOSA-N 2 1 365.512 3.880 20 0 FHADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000430742141 933192742 /nfs/dbraw/zinc/19/27/42/933192742.db2.gz NUXJVOQJVGJWAY-GLHNNUHNSA-N 2 1 369.553 3.596 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000430742580 933194563 /nfs/dbraw/zinc/19/45/63/933194563.db2.gz MPUVQZFRDTZGRR-IERDGZPVSA-N 2 1 367.493 3.566 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000430742580 933194566 /nfs/dbraw/zinc/19/45/66/933194566.db2.gz MPUVQZFRDTZGRR-IERDGZPVSA-N 2 1 367.493 3.566 20 0 FHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@@H+]1C ZINC000430751410 933202835 /nfs/dbraw/zinc/20/28/35/933202835.db2.gz WAXNTIKNGASZES-MHEUCROKSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[N@H+]1C ZINC000430751410 933202842 /nfs/dbraw/zinc/20/28/42/933202842.db2.gz WAXNTIKNGASZES-MHEUCROKSA-N 2 1 355.295 3.907 20 0 FHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751809 933203114 /nfs/dbraw/zinc/20/31/14/933203114.db2.gz CDPUUXDFPFRVJR-LSCFUAHRSA-N 2 1 355.295 3.764 20 0 FHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430751809 933203119 /nfs/dbraw/zinc/20/31/19/933203119.db2.gz CDPUUXDFPFRVJR-LSCFUAHRSA-N 2 1 355.295 3.764 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000430768864 933222220 /nfs/dbraw/zinc/22/22/20/933222220.db2.gz MMWJYELREKTPIC-IERDGZPVSA-N 2 1 367.493 3.708 20 0 FHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000430768864 933222225 /nfs/dbraw/zinc/22/22/25/933222225.db2.gz MMWJYELREKTPIC-IERDGZPVSA-N 2 1 367.493 3.708 20 0 FHADMP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430936779 933435877 /nfs/dbraw/zinc/43/58/77/933435877.db2.gz WWDYMFOYVNIZLA-KRWDZBQOSA-N 2 1 367.493 3.785 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952014 933561528 /nfs/dbraw/zinc/56/15/28/933561528.db2.gz UJZYTPJIBXAOCH-CJNGLKHVSA-N 2 1 370.324 3.786 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)cc1 ZINC000510797225 933754377 /nfs/dbraw/zinc/75/43/77/933754377.db2.gz LSYMIKFNCYGGJG-RBUKOAKNSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000510797225 933754388 /nfs/dbraw/zinc/75/43/88/933754388.db2.gz LSYMIKFNCYGGJG-RBUKOAKNSA-N 2 1 359.558 3.769 20 0 FHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000510797225 933754394 /nfs/dbraw/zinc/75/43/94/933754394.db2.gz LSYMIKFNCYGGJG-RBUKOAKNSA-N 2 1 359.558 3.769 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253518 933964940 /nfs/dbraw/zinc/96/49/40/933964940.db2.gz YWHXJAGXJUBFEN-OAHLLOKOSA-N 2 1 354.922 3.911 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253518 933964952 /nfs/dbraw/zinc/96/49/52/933964952.db2.gz YWHXJAGXJUBFEN-OAHLLOKOSA-N 2 1 354.922 3.911 20 0 FHADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253518 933964973 /nfs/dbraw/zinc/96/49/73/933964973.db2.gz YWHXJAGXJUBFEN-OAHLLOKOSA-N 2 1 354.922 3.911 20 0 FHADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253518 933964979 /nfs/dbraw/zinc/96/49/79/933964979.db2.gz YWHXJAGXJUBFEN-OAHLLOKOSA-N 2 1 354.922 3.911 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485074 934136744 /nfs/dbraw/zinc/13/67/44/934136744.db2.gz RZKUXOKKDVZZHY-HOTGVXAUSA-N 2 1 353.913 3.640 20 0 FHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000548485074 934136745 /nfs/dbraw/zinc/13/67/45/934136745.db2.gz RZKUXOKKDVZZHY-HOTGVXAUSA-N 2 1 353.913 3.640 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003251 934159088 /nfs/dbraw/zinc/15/90/88/934159088.db2.gz CDBPNZGRKYGHMB-YYWHXJBOSA-N 2 1 366.505 3.930 20 0 FHADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000548490262 934197075 /nfs/dbraw/zinc/19/70/75/934197075.db2.gz LLQVIKXAZUQSHV-GJZGRUSLSA-N 2 1 363.493 3.747 20 0 FHADMP Cc1cccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2cccc(F)c2)c1 ZINC000510953487 934219098 /nfs/dbraw/zinc/21/90/98/934219098.db2.gz VKRSVJUATVEECC-QFIPXVFZSA-N 2 1 369.528 3.839 20 0 FHADMP C(CC[N@H+]1CCC[C@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000535724150 934311639 /nfs/dbraw/zinc/31/16/39/934311639.db2.gz JLEAAJXKXWLQRF-VXKWHMMOSA-N 2 1 364.574 3.552 20 0 FHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684611210 934505682 /nfs/dbraw/zinc/50/56/82/934505682.db2.gz CEKPVRJGEHPUTF-YJBOKZPZSA-N 2 1 370.459 3.869 20 0 FHADMP Clc1ccc(Br)c(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090579538 934880727 /nfs/dbraw/zinc/88/07/27/934880727.db2.gz OQVMOFKPRXIFLO-LSDHHAIUSA-N 2 1 357.723 3.861 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657308429 935076186 /nfs/dbraw/zinc/07/61/86/935076186.db2.gz SEZWWVHXWAWAEL-HSZRJFAPSA-N 2 1 368.521 3.984 20 0 FHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1 ZINC000536485834 935087171 /nfs/dbraw/zinc/08/71/71/935087171.db2.gz MSWXQQVCAIRZRL-UHFFFAOYSA-N 2 1 363.505 3.613 20 0 FHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccccc1 ZINC000536485834 935087178 /nfs/dbraw/zinc/08/71/78/935087178.db2.gz MSWXQQVCAIRZRL-UHFFFAOYSA-N 2 1 363.505 3.613 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657311849 935112493 /nfs/dbraw/zinc/11/24/93/935112493.db2.gz XBUQUQRFGHIBOC-CYBMUJFWSA-N 2 1 358.299 3.585 20 0 FHADMP C[NH2+]CC1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000414899055 945087192 /nfs/dbraw/zinc/08/71/92/945087192.db2.gz GSBZKVBQHAQGOS-UHFFFAOYSA-N 2 1 369.513 3.518 20 0 FHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000657335553 935259765 /nfs/dbraw/zinc/25/97/65/935259765.db2.gz GTRYODXXZGHUAG-GOSISDBHSA-N 2 1 360.542 3.845 20 0 FHADMP CN(C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985042 945092838 /nfs/dbraw/zinc/09/28/38/945092838.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985042 945092846 /nfs/dbraw/zinc/09/28/46/945092846.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985042 945092854 /nfs/dbraw/zinc/09/28/54/945092854.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP C[NH+](C1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985042 945092863 /nfs/dbraw/zinc/09/28/63/945092863.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP C[NH+](C1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985042 945092871 /nfs/dbraw/zinc/09/28/71/945092871.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 2 1 367.581 3.988 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000657386271 935488412 /nfs/dbraw/zinc/48/84/12/935488412.db2.gz CLUCIIYIPSSDIC-UHFFFAOYSA-N 2 1 352.320 3.649 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1)c1ccccc1Cl ZINC000427120238 945105255 /nfs/dbraw/zinc/10/52/55/945105255.db2.gz AUHKHWUSEGKKAU-OXJNMPFZSA-N 2 1 369.896 3.776 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1)c1ccccc1Cl ZINC000427120238 945105259 /nfs/dbraw/zinc/10/52/59/945105259.db2.gz AUHKHWUSEGKKAU-OXJNMPFZSA-N 2 1 369.896 3.776 20 0 FHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000582324218 935524374 /nfs/dbraw/zinc/52/43/74/935524374.db2.gz IPYAKMGTTNFNJH-QGZVFWFLSA-N 2 1 371.529 3.575 20 0 FHADMP CC(C)Sc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000511112580 935627801 /nfs/dbraw/zinc/62/78/01/935627801.db2.gz WFINILFFPFGZMC-WCRBZPEASA-N 2 1 373.610 3.930 20 0 FHADMP CC(C)Sc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000511112580 935627804 /nfs/dbraw/zinc/62/78/04/935627804.db2.gz WFINILFFPFGZMC-WCRBZPEASA-N 2 1 373.610 3.930 20 0 FHADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152880108 935876301 /nfs/dbraw/zinc/87/63/01/935876301.db2.gz YSCFCROZXGDOBO-JOCHJYFZSA-N 2 1 367.562 3.709 20 0 FHADMP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161354123 935917793 /nfs/dbraw/zinc/91/77/93/935917793.db2.gz LVTBZFPUGSHZNC-HXUWFJFHSA-N 2 1 350.934 3.961 20 0 FHADMP CC(C)COc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596538 936076356 /nfs/dbraw/zinc/07/63/56/936076356.db2.gz NYROQFWLQUIFKS-JOCHJYFZSA-N 2 1 368.521 3.578 20 0 FHADMP CCc1ccc(CC)c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000438855744 945144345 /nfs/dbraw/zinc/14/43/45/945144345.db2.gz KELNACMDZXUHPH-HXUWFJFHSA-N 2 1 374.573 3.691 20 0 FHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CC1(C)C ZINC000582799735 936139420 /nfs/dbraw/zinc/13/94/20/936139420.db2.gz YBQREPYKSPBGHZ-JBACZVJFSA-N 2 1 356.554 3.939 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C)C1CCCCC1 ZINC000582833131 936184809 /nfs/dbraw/zinc/18/48/09/936184809.db2.gz QUAXXLWTFGMIIP-LJQANCHMSA-N 2 1 358.530 3.713 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338848 938249315 /nfs/dbraw/zinc/24/93/15/938249315.db2.gz ZWQZNDNEUYLUAU-VGSWGCGISA-N 2 1 351.494 3.788 20 0 FHADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338848 938249316 /nfs/dbraw/zinc/24/93/16/938249316.db2.gz ZWQZNDNEUYLUAU-VGSWGCGISA-N 2 1 351.494 3.788 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000080428625 938262728 /nfs/dbraw/zinc/26/27/28/938262728.db2.gz IMOGMPWPFJXRDA-MRXNPFEDSA-N 2 1 362.477 3.733 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000650706270 938285458 /nfs/dbraw/zinc/28/54/58/938285458.db2.gz HPXVFMXZQSYFGZ-ZOCZFRKYSA-N 2 1 358.457 3.804 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707176 938289021 /nfs/dbraw/zinc/28/90/21/938289021.db2.gz ZZQWVGHWNVABSF-CPUCHLNUSA-N 2 1 374.859 3.660 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709670 938290759 /nfs/dbraw/zinc/29/07/59/938290759.db2.gz LLZYTPGGCHEGCU-RXVVDRJESA-N 2 1 372.944 3.762 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564158 938305557 /nfs/dbraw/zinc/30/55/57/938305557.db2.gz BYJWXQBVGKRGSI-HXUWFJFHSA-N 2 1 360.505 3.892 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564158 938305559 /nfs/dbraw/zinc/30/55/59/938305559.db2.gz BYJWXQBVGKRGSI-HXUWFJFHSA-N 2 1 360.505 3.892 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722799 938309954 /nfs/dbraw/zinc/30/99/54/938309954.db2.gz BKYCVQXTPCKKFL-NZSAHSFTSA-N 2 1 357.523 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723395 938310726 /nfs/dbraw/zinc/31/07/26/938310726.db2.gz NHVMIVMVIIALSK-NEWSRXKRSA-N 2 1 357.523 3.671 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724141 938311254 /nfs/dbraw/zinc/31/12/54/938311254.db2.gz YQYHBMWSHHCHNZ-GUDVDZBRSA-N 2 1 359.901 3.749 20 0 FHADMP Cc1cc2oc(=O)cc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)c2cc1C ZINC000728572281 938327552 /nfs/dbraw/zinc/32/75/52/938327552.db2.gz WOIWOGDIUXQOQS-UHFFFAOYSA-N 2 1 356.510 3.962 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583660557 938344976 /nfs/dbraw/zinc/34/49/76/938344976.db2.gz CEIZVNBUFGYQQN-NQIIRXRSSA-N 3 1 369.528 3.888 20 0 FHADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754470 938408250 /nfs/dbraw/zinc/40/82/50/938408250.db2.gz JVJLMJUFZQIECW-FUPPJEDESA-N 2 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754470 938408251 /nfs/dbraw/zinc/40/82/51/938408251.db2.gz JVJLMJUFZQIECW-FUPPJEDESA-N 3 1 367.512 3.675 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754470 938408252 /nfs/dbraw/zinc/40/82/52/938408252.db2.gz JVJLMJUFZQIECW-FUPPJEDESA-N 3 1 367.512 3.675 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000151141408 938411124 /nfs/dbraw/zinc/41/11/24/938411124.db2.gz RBYWUWSMQCVKDU-MRXNPFEDSA-N 2 1 367.940 3.765 20 0 FHADMP [NH3+]Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000650755894 938411826 /nfs/dbraw/zinc/41/18/26/938411826.db2.gz PBOHERNGINIBQU-YMPZKCBVSA-N 2 1 367.512 3.817 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000650755894 938411828 /nfs/dbraw/zinc/41/18/28/938411828.db2.gz PBOHERNGINIBQU-YMPZKCBVSA-N 3 1 367.512 3.817 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000650755894 938411830 /nfs/dbraw/zinc/41/18/30/938411830.db2.gz PBOHERNGINIBQU-YMPZKCBVSA-N 3 1 367.512 3.817 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657795876 938425595 /nfs/dbraw/zinc/42/55/95/938425595.db2.gz OZXYUWDWLRZBCS-JPYJTQIMSA-N 2 1 370.512 3.587 20 0 FHADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657795878 938425900 /nfs/dbraw/zinc/42/59/00/938425900.db2.gz OZXYUWDWLRZBCS-MBSDFSHPSA-N 2 1 370.512 3.587 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516714359 945177359 /nfs/dbraw/zinc/17/73/59/945177359.db2.gz LEDVSNXYRZMCOT-VNHKHXMHSA-N 2 1 352.522 3.651 20 0 FHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583895285 938471174 /nfs/dbraw/zinc/47/11/74/938471174.db2.gz FWSJVXXQVLGOQI-YLJYHZDGSA-N 2 1 354.469 3.933 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000583922392 938487707 /nfs/dbraw/zinc/48/77/07/938487707.db2.gz PAUGLSPOTUTOEA-MKWLTTDUSA-N 2 1 352.522 3.966 20 0 FHADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000583922392 938487709 /nfs/dbraw/zinc/48/77/09/938487709.db2.gz PAUGLSPOTUTOEA-MKWLTTDUSA-N 2 1 352.522 3.966 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657815240 938534095 /nfs/dbraw/zinc/53/40/95/938534095.db2.gz NOHQBCKICKJCLR-CVDCTZTESA-N 3 1 355.570 3.751 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657815240 938534098 /nfs/dbraw/zinc/53/40/98/938534098.db2.gz NOHQBCKICKJCLR-CVDCTZTESA-N 3 1 355.570 3.751 20 0 FHADMP OC1CC[NH+](CCC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000151376041 938534686 /nfs/dbraw/zinc/53/46/86/938534686.db2.gz PTFUWGZCBAWTBT-QHCPKHFHSA-N 2 1 366.549 3.667 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccncc2s1 ZINC000657824552 938575953 /nfs/dbraw/zinc/57/59/53/938575953.db2.gz UOOQCVQWNKQWPD-MRXNPFEDSA-N 2 1 367.518 3.979 20 0 FHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000584220430 938644134 /nfs/dbraw/zinc/64/41/34/938644134.db2.gz PRIOPOSPKHZBCE-MOPGFXCFSA-N 2 1 370.884 3.510 20 0 FHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000584220430 938644136 /nfs/dbraw/zinc/64/41/36/938644136.db2.gz PRIOPOSPKHZBCE-MOPGFXCFSA-N 2 1 370.884 3.510 20 0 FHADMP Cc1cc(N2CCC([NH2+]C3CCC(OC4CCCC4)CC3)CC2)nc(C)[nH+]1 ZINC000584272377 938666984 /nfs/dbraw/zinc/66/69/84/938666984.db2.gz MXESODSKNXDVOK-UHFFFAOYSA-N 2 1 372.557 3.922 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657839344 938690863 /nfs/dbraw/zinc/69/08/63/938690863.db2.gz SJRWYQDJGZNFIY-MRXNPFEDSA-N 2 1 353.501 3.594 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc2)CC1 ZINC000657839279 938691669 /nfs/dbraw/zinc/69/16/69/938691669.db2.gz QWQQLOHJLXUXKP-MRXNPFEDSA-N 2 1 353.501 3.594 20 0 FHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000584346559 938694352 /nfs/dbraw/zinc/69/43/52/938694352.db2.gz PYPKIZGSIATXOM-UGKGYDQZSA-N 2 1 368.521 3.550 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000708530082 938802609 /nfs/dbraw/zinc/80/26/09/938802609.db2.gz WLWOEVXNYJJASM-GIVPXCGWSA-N 2 1 350.506 3.910 20 0 FHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nccn3C3CC3)cc2)CC1 ZINC000892379956 938824611 /nfs/dbraw/zinc/82/46/11/938824611.db2.gz KZWWWPWIJPQCSF-UHFFFAOYSA-N 2 1 353.514 3.608 20 0 FHADMP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090217722 938872378 /nfs/dbraw/zinc/87/23/78/938872378.db2.gz UALYEDAXTYJEFY-DENIHFKCSA-N 2 1 362.533 3.873 20 0 FHADMP COC(=O)c1cc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCCC2)cn1C ZINC000584439212 938883819 /nfs/dbraw/zinc/88/38/19/938883819.db2.gz KFXMKAUUOWUICT-KRWDZBQOSA-N 2 1 369.509 3.565 20 0 FHADMP c1cc2c(cccc2C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000685441901 938986800 /nfs/dbraw/zinc/98/68/00/938986800.db2.gz FGBRIWCFYGDCSF-JOCHJYFZSA-N 2 1 374.532 3.560 20 0 FHADMP Cc1ccccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000076399933 938996402 /nfs/dbraw/zinc/99/64/02/938996402.db2.gz KYBCWMDVEXTYNY-UHFFFAOYSA-N 2 1 368.521 3.774 20 0 FHADMP Cc1ccnc(CN2CCCC3(CCC[N@@H+](Cc4cc(C)ccn4)C3)C2)c1 ZINC000685593144 939003119 /nfs/dbraw/zinc/00/31/19/939003119.db2.gz LYEXCVAVSUJWPV-UHFFFAOYSA-N 2 1 364.537 3.972 20 0 FHADMP c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657970841 939013618 /nfs/dbraw/zinc/01/36/18/939013618.db2.gz HXGMJNNQLOATLP-XSDIEEQYSA-N 2 1 350.510 3.608 20 0 FHADMP C[C@@H](Cn1cncn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658004093 939018497 /nfs/dbraw/zinc/01/84/97/939018497.db2.gz BKHOLUIZYCSXNG-SIOWJKJVSA-N 2 1 373.932 3.524 20 0 FHADMP Cc1ccccc1C1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658135043 939029912 /nfs/dbraw/zinc/02/99/12/939029912.db2.gz CVSPWYSPBRIZAQ-LZBANZJXSA-N 2 1 350.506 3.597 20 0 FHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CC2)cc1 ZINC000658134485 939030088 /nfs/dbraw/zinc/03/00/88/939030088.db2.gz AZYMLQARKQYJTG-GOTSBHOMSA-N 2 1 350.506 3.803 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142792 939035409 /nfs/dbraw/zinc/03/54/09/939035409.db2.gz WMZJVIIGHDVEQC-GGAORHGYSA-N 2 1 350.506 3.811 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142143 939035629 /nfs/dbraw/zinc/03/56/29/939035629.db2.gz VBRKOFRAQOQURA-PGRDOPGGSA-N 2 1 352.522 3.709 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142253 939035997 /nfs/dbraw/zinc/03/59/97/939035997.db2.gz VGEYXMIBRUAXHA-UTKZUKDTSA-N 2 1 356.897 3.684 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143141 939036056 /nfs/dbraw/zinc/03/60/56/939036056.db2.gz WXWHGARUWNQLIW-UTKZUKDTSA-N 2 1 361.489 3.652 20 0 FHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143490 939036620 /nfs/dbraw/zinc/03/66/20/939036620.db2.gz YYLWTVSPXYRHBA-ZDWFVDTJSA-N 2 1 368.496 3.806 20 0 FHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(C)C)cc1 ZINC000658137630 939041282 /nfs/dbraw/zinc/04/12/82/939041282.db2.gz KUCWNZQEWBOTKH-GMAHTHKFSA-N 2 1 368.521 3.749 20 0 FHADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658138193 939042404 /nfs/dbraw/zinc/04/24/04/939042404.db2.gz NBPVHTDGKWOCQJ-VXKWHMMOSA-N 2 1 353.510 3.525 20 0 FHADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658139512 939042973 /nfs/dbraw/zinc/04/29/73/939042973.db2.gz MHYLCLICLZYMRX-UZLBHIALSA-N 2 1 356.535 3.826 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000658209777 939070042 /nfs/dbraw/zinc/07/00/42/939070042.db2.gz SEYNFKKFJQMRGW-PBHICJAKSA-N 2 1 351.332 3.844 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658212798 939077156 /nfs/dbraw/zinc/07/71/56/939077156.db2.gz MFIUVWXXFKZVPC-FCEUIQTBSA-N 2 1 364.537 3.830 20 0 FHADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658212798 939077159 /nfs/dbraw/zinc/07/71/59/939077159.db2.gz MFIUVWXXFKZVPC-FCEUIQTBSA-N 2 1 364.537 3.830 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000658303605 939095575 /nfs/dbraw/zinc/09/55/75/939095575.db2.gz BZBAAOXYKLLLJI-PZJWPPBQSA-N 2 1 371.569 3.573 20 0 FHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658294086 939100809 /nfs/dbraw/zinc/10/08/09/939100809.db2.gz FXNHHIVDBVNWNZ-HXUWFJFHSA-N 2 1 365.606 3.509 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc23)[C@H](C)C1 ZINC000658318860 939110810 /nfs/dbraw/zinc/11/08/10/939110810.db2.gz TURNBKNTDTUTIY-AEFFLSMTSA-N 2 1 361.555 3.565 20 0 FHADMP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320384 939111193 /nfs/dbraw/zinc/11/11/93/939111193.db2.gz VDWDMBFUVPQFIS-SFTDATJTSA-N 2 1 364.537 3.763 20 0 FHADMP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320384 939111194 /nfs/dbraw/zinc/11/11/94/939111194.db2.gz VDWDMBFUVPQFIS-SFTDATJTSA-N 2 1 364.537 3.763 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](CNC3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319794 939111312 /nfs/dbraw/zinc/11/13/12/939111312.db2.gz IWGIGDAVYDCDTI-QFIPXVFZSA-N 2 1 367.581 3.753 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319794 939111316 /nfs/dbraw/zinc/11/13/16/939111316.db2.gz IWGIGDAVYDCDTI-QFIPXVFZSA-N 3 1 367.581 3.753 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319794 939111318 /nfs/dbraw/zinc/11/13/18/939111318.db2.gz IWGIGDAVYDCDTI-QFIPXVFZSA-N 3 1 367.581 3.753 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225166 945232087 /nfs/dbraw/zinc/23/20/87/945232087.db2.gz WULDRDIGNRKCMV-AZUAARDMSA-N 2 1 351.579 3.610 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000511848607 945268174 /nfs/dbraw/zinc/26/81/74/945268174.db2.gz DNSAOCQNIUESJU-IBGZPJMESA-N 2 1 359.558 3.770 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427318534 945268130 /nfs/dbraw/zinc/26/81/30/945268130.db2.gz DNTLFZXVJXSZNX-ZCNNSNEGSA-N 2 1 371.569 3.561 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000506040041 945281218 /nfs/dbraw/zinc/28/12/18/945281218.db2.gz HDKMRIXNZVQUEU-QFIPXVFZSA-N 2 1 352.526 3.504 20 0 FHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000375892646 940025678 /nfs/dbraw/zinc/02/56/78/940025678.db2.gz ZDWSAAGWIFOAJY-SJBKTWHCSA-N 2 1 351.494 3.590 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177298171 940093042 /nfs/dbraw/zinc/09/30/42/940093042.db2.gz DDEZOGDMASUAJQ-UHFFFAOYSA-N 2 1 361.530 3.627 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000531139992 940098828 /nfs/dbraw/zinc/09/88/28/940098828.db2.gz PUVXGRAJERBCFD-ZFWWWQNUSA-N 2 1 355.885 3.612 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000531139992 940098831 /nfs/dbraw/zinc/09/88/31/940098831.db2.gz PUVXGRAJERBCFD-ZFWWWQNUSA-N 2 1 355.885 3.612 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000531139992 940098834 /nfs/dbraw/zinc/09/88/34/940098834.db2.gz PUVXGRAJERBCFD-ZFWWWQNUSA-N 2 1 355.885 3.612 20 0 FHADMP c1nc2c(s1)C[NH+](CCCCCC[N@H+]1CCc3ncsc3C1)CC2 ZINC000782634268 940238462 /nfs/dbraw/zinc/23/84/62/940238462.db2.gz NJXPOWZJSSNMHQ-UHFFFAOYSA-N 2 1 362.568 3.576 20 0 FHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785600 940282778 /nfs/dbraw/zinc/28/27/78/940282778.db2.gz SUAZLGCYKJKOSG-BBLCHGJFSA-N 2 1 368.468 3.734 20 0 FHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785600 940282781 /nfs/dbraw/zinc/28/27/81/940282781.db2.gz SUAZLGCYKJKOSG-BBLCHGJFSA-N 2 1 368.468 3.734 20 0 FHADMP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000376082354 940286034 /nfs/dbraw/zinc/28/60/34/940286034.db2.gz OABHCYBCDHGCNP-XMSQKQJNSA-N 2 1 369.553 3.545 20 0 FHADMP C[N@@H+](Cc1nc(C(F)(F)F)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376177711 940424606 /nfs/dbraw/zinc/42/46/06/940424606.db2.gz KGXCSTYTAXWLHE-UHFFFAOYSA-N 2 1 370.444 3.905 20 0 FHADMP C[N@H+](Cc1nc(C(F)(F)F)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376177711 940424607 /nfs/dbraw/zinc/42/46/07/940424607.db2.gz KGXCSTYTAXWLHE-UHFFFAOYSA-N 2 1 370.444 3.905 20 0 FHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000685839625 940430162 /nfs/dbraw/zinc/43/01/62/940430162.db2.gz WOEMYPJUYNNRQH-UHFFFAOYSA-N 2 1 367.940 3.512 20 0 FHADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850908 940467319 /nfs/dbraw/zinc/46/73/19/940467319.db2.gz MAAMEDKUERKJIW-SFTDATJTSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850908 940467320 /nfs/dbraw/zinc/46/73/20/940467320.db2.gz MAAMEDKUERKJIW-SFTDATJTSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850908 940467321 /nfs/dbraw/zinc/46/73/21/940467321.db2.gz MAAMEDKUERKJIW-SFTDATJTSA-N 2 1 365.521 3.661 20 0 FHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850908 940467323 /nfs/dbraw/zinc/46/73/23/940467323.db2.gz MAAMEDKUERKJIW-SFTDATJTSA-N 2 1 365.521 3.661 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431764031 940481794 /nfs/dbraw/zinc/48/17/94/940481794.db2.gz YKIPERPOPXEWJW-KNQAVFIVSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431764031 940481796 /nfs/dbraw/zinc/48/17/96/940481796.db2.gz YKIPERPOPXEWJW-KNQAVFIVSA-N 2 1 371.569 3.799 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431764031 940481797 /nfs/dbraw/zinc/48/17/97/940481797.db2.gz YKIPERPOPXEWJW-KNQAVFIVSA-N 2 1 371.569 3.799 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115325 940602841 /nfs/dbraw/zinc/60/28/41/940602841.db2.gz MVAOURFIRIHBOK-FPOVZHCZSA-N 2 1 363.977 3.983 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431803223 940608589 /nfs/dbraw/zinc/60/85/89/940608589.db2.gz XENZSXUXTHJQIY-JOCHJYFZSA-N 2 1 371.569 3.943 20 0 FHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122367 940619486 /nfs/dbraw/zinc/61/94/86/940619486.db2.gz NWHUSYSQSFIEIR-TZIWHRDSSA-N 2 1 363.977 3.983 20 0 FHADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221435 940792101 /nfs/dbraw/zinc/79/21/01/940792101.db2.gz KWWXSFIBFFHUSS-ZECSIRQKSA-N 2 1 350.506 3.799 20 0 FHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657485 945359080 /nfs/dbraw/zinc/35/90/80/945359080.db2.gz QNIJLIXKBUJVQO-QFIPXVFZSA-N 2 1 351.494 3.586 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657485 945359093 /nfs/dbraw/zinc/35/90/93/945359093.db2.gz QNIJLIXKBUJVQO-QFIPXVFZSA-N 2 1 351.494 3.586 20 0 FHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657485 945359105 /nfs/dbraw/zinc/35/91/05/945359105.db2.gz QNIJLIXKBUJVQO-QFIPXVFZSA-N 2 1 351.494 3.586 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414333615 940993868 /nfs/dbraw/zinc/99/38/68/940993868.db2.gz ATHFXTMRZUJWLW-CZTZKLFOSA-N 2 1 367.512 3.905 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1)C(C)C ZINC000104405477 941058242 /nfs/dbraw/zinc/05/82/42/941058242.db2.gz YOVXISGADFNOQL-UHFFFAOYSA-N 2 1 357.542 3.617 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1OC ZINC000647542862 941062485 /nfs/dbraw/zinc/06/24/85/941062485.db2.gz CZTGPTCLJSUXOJ-GJZGRUSLSA-N 2 1 352.906 3.569 20 0 FHADMP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423185625 941067061 /nfs/dbraw/zinc/06/70/61/941067061.db2.gz JURGDNLEYAMTEY-IBGZPJMESA-N 2 1 374.326 3.991 20 0 FHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc(C(C)C)n1 ZINC000302797641 941124083 /nfs/dbraw/zinc/12/40/83/941124083.db2.gz RCXQGZUSEOMEOT-LJQANCHMSA-N 2 1 354.498 3.611 20 0 FHADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479516 941128395 /nfs/dbraw/zinc/12/83/95/941128395.db2.gz RQZGGHQPXBOLEY-GCJKJVERSA-N 2 1 365.521 3.531 20 0 FHADMP C[NH2+][C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1Cl ZINC000659291736 941150776 /nfs/dbraw/zinc/15/07/76/941150776.db2.gz MGPUYAHVULPTKN-PIGZYNQJSA-N 2 1 366.292 3.590 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000311258634 941156884 /nfs/dbraw/zinc/15/68/84/941156884.db2.gz UJVSAWNJOHBUQV-NNIGNNQHSA-N 2 1 365.562 3.627 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000311258634 941156886 /nfs/dbraw/zinc/15/68/86/941156886.db2.gz UJVSAWNJOHBUQV-NNIGNNQHSA-N 2 1 365.562 3.627 20 0 FHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121111 941265322 /nfs/dbraw/zinc/26/53/22/941265322.db2.gz OGBNGTOXCREPPR-UONOGXRCSA-N 2 1 357.311 3.841 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000376804980 941435243 /nfs/dbraw/zinc/43/52/43/941435243.db2.gz APWRINSIJMKPFJ-UVFQYZLESA-N 2 1 369.538 3.751 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000376804980 941435246 /nfs/dbraw/zinc/43/52/46/941435246.db2.gz APWRINSIJMKPFJ-UVFQYZLESA-N 2 1 369.538 3.751 20 0 FHADMP Cc1nn(C)c2sc([C@H](C)[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)cc12 ZINC000376834937 941450118 /nfs/dbraw/zinc/45/01/18/941450118.db2.gz QVRTXQWVCCSVEQ-HNNXBMFYSA-N 2 1 369.538 3.966 20 0 FHADMP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040009 941560131 /nfs/dbraw/zinc/56/01/31/941560131.db2.gz JMVMGIDKHJTNER-HOCLYGCPSA-N 2 1 360.395 3.731 20 0 FHADMP Fc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415040009 941560133 /nfs/dbraw/zinc/56/01/33/941560133.db2.gz JMVMGIDKHJTNER-HOCLYGCPSA-N 2 1 360.395 3.731 20 0 FHADMP CO[C@@]1(C)CCC[NH+](CCCCC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377212726 941569119 /nfs/dbraw/zinc/56/91/19/941569119.db2.gz CUSQQRYBMUXLBM-SFTDATJTSA-N 2 1 354.579 3.939 20 0 FHADMP c1ccc(COc2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415060225 941571923 /nfs/dbraw/zinc/57/19/23/941571923.db2.gz YMWIQZSWZFUEFK-UGKGYDQZSA-N 2 1 351.494 3.625 20 0 FHADMP [NH3+]CCC[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccccc1 ZINC000415061113 941579528 /nfs/dbraw/zinc/57/95/28/941579528.db2.gz XYMXPSHLOOBNMF-SFHVURJKSA-N 2 1 373.863 3.630 20 0 FHADMP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000415077981 941587887 /nfs/dbraw/zinc/58/78/87/941587887.db2.gz GASSIEXSQAVXSD-ACESQOTJSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000415081208 941592096 /nfs/dbraw/zinc/59/20/96/941592096.db2.gz KKWGTIVLVIVGFM-UCNVEGJOSA-N 2 1 363.505 3.957 20 0 FHADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000415089382 941597456 /nfs/dbraw/zinc/59/74/56/941597456.db2.gz WMHKYGUUERJFKY-FUHIMQAGSA-N 2 1 357.448 3.626 20 0 FHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415126030 941615412 /nfs/dbraw/zinc/61/54/12/941615412.db2.gz LWMRNFRGCQOBKX-DYESRHJHSA-N 2 1 369.557 3.550 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134882 941621755 /nfs/dbraw/zinc/62/17/55/941621755.db2.gz WHHOSENWFBLWQV-DOTOQJQBSA-N 2 1 360.523 3.752 20 0 FHADMP COc1cc(Cl)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415128635 941623194 /nfs/dbraw/zinc/62/31/94/941623194.db2.gz SQEFUCSSVQVTFK-PBHICJAKSA-N 2 1 373.324 3.720 20 0 FHADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130420 941623564 /nfs/dbraw/zinc/62/35/64/941623564.db2.gz RAPGVMNTTZTUGC-YLJYHZDGSA-N 2 1 354.494 3.691 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)C1 ZINC000415131039 941623871 /nfs/dbraw/zinc/62/38/71/941623871.db2.gz YITIFGJBHDHBSL-DOTOQJQBSA-N 2 1 360.395 3.563 20 0 FHADMP NC1(C[NH2+]Cc2ccc(Cl)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415135752 941625915 /nfs/dbraw/zinc/62/59/15/941625915.db2.gz QLFHAZLCEAJRDH-UHFFFAOYSA-N 2 1 361.892 3.562 20 0 FHADMP CC[C@](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)(C(=O)OC)c1ccccc1 ZINC000415139163 941626776 /nfs/dbraw/zinc/62/67/76/941626776.db2.gz LAVSNAKGBGRKBN-QZNHQXDQSA-N 2 1 366.505 3.590 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513162403 941701546 /nfs/dbraw/zinc/70/15/46/941701546.db2.gz YASJZHZZAUAUEI-JKWVGCSGSA-N 2 1 374.569 3.589 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513162403 941701550 /nfs/dbraw/zinc/70/15/50/941701550.db2.gz YASJZHZZAUAUEI-JKWVGCSGSA-N 2 1 374.569 3.589 20 0 FHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513162403 941701552 /nfs/dbraw/zinc/70/15/52/941701552.db2.gz YASJZHZZAUAUEI-JKWVGCSGSA-N 2 1 374.569 3.589 20 0 FHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000729267957 941705185 /nfs/dbraw/zinc/70/51/85/941705185.db2.gz BNFCPSJFJCFHBC-GOSISDBHSA-N 2 1 365.562 3.584 20 0 FHADMP CC(C)(C)Nc1nc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204734764 941744365 /nfs/dbraw/zinc/74/43/65/941744365.db2.gz DSKDUETYCJWHFI-UHFFFAOYSA-N 2 1 356.967 3.973 20 0 FHADMP Cc1ccc2oc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)nc2c1 ZINC000431844165 941762529 /nfs/dbraw/zinc/76/25/29/941762529.db2.gz XCPOEDXGYUZSNA-UHFFFAOYSA-N 2 1 370.541 3.769 20 0 FHADMP CC(C)(C)[NH+]1CCC(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000513203951 941779379 /nfs/dbraw/zinc/77/93/79/941779379.db2.gz NBBFNEXKYXHBPT-UHFFFAOYSA-N 2 1 365.606 3.653 20 0 FHADMP CC(C)(C)[NH+]1CCC(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000513203951 941779380 /nfs/dbraw/zinc/77/93/80/941779380.db2.gz NBBFNEXKYXHBPT-UHFFFAOYSA-N 2 1 365.606 3.653 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccc(F)c4C)o3)C2)CC1 ZINC000093132777 941808409 /nfs/dbraw/zinc/80/84/09/941808409.db2.gz JROKWTFPXVOZDF-SFHVURJKSA-N 2 1 371.500 3.606 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000644522412 941821396 /nfs/dbraw/zinc/82/13/96/941821396.db2.gz UZHYTCXNXSWEPY-SFHVURJKSA-N 2 1 366.509 3.574 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000377595245 941829501 /nfs/dbraw/zinc/82/95/01/941829501.db2.gz UWJJCSTVWILWAH-INIZCTEOSA-N 2 1 358.449 3.612 20 0 FHADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2cccnc2)nc1 ZINC000513389159 941886123 /nfs/dbraw/zinc/88/61/23/941886123.db2.gz RQIFXCHPEZZNPM-JOCHJYFZSA-N 2 1 350.510 3.757 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)C[C@H](C)O1 ZINC000467194839 941898591 /nfs/dbraw/zinc/89/85/91/941898591.db2.gz DNGFAORTFVQYCZ-ZVDOUQERSA-N 2 1 364.574 3.690 20 0 FHADMP Cc1cn2c(C[N@H+](C)C3CCN(c4cc[nH+]cc4)CC3)c(C)nc2s1 ZINC000377692532 941906005 /nfs/dbraw/zinc/90/60/05/941906005.db2.gz JEHUJEYHXXPIIO-UHFFFAOYSA-N 2 1 355.511 3.508 20 0 FHADMP COCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513434812 941920336 /nfs/dbraw/zinc/92/03/36/941920336.db2.gz MNAZABYDXOMSAM-NRFANRHFSA-N 2 1 360.542 3.800 20 0 FHADMP COCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513434812 941920338 /nfs/dbraw/zinc/92/03/38/941920338.db2.gz MNAZABYDXOMSAM-NRFANRHFSA-N 2 1 360.542 3.800 20 0 FHADMP C[C@@H]1C[C@H](NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462628 941941194 /nfs/dbraw/zinc/94/11/94/941941194.db2.gz FVJMQKWQFQCPSP-UEVCKROQSA-N 2 1 351.538 3.932 20 0 FHADMP COc1cc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)ccc1C ZINC000377864298 942040384 /nfs/dbraw/zinc/04/03/84/942040384.db2.gz LYOJMECHJFJLEJ-UHFFFAOYSA-N 2 1 353.510 3.538 20 0 FHADMP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1C ZINC000377864298 942040386 /nfs/dbraw/zinc/04/03/86/942040386.db2.gz LYOJMECHJFJLEJ-UHFFFAOYSA-N 2 1 353.510 3.538 20 0 FHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000513627714 942053176 /nfs/dbraw/zinc/05/31/76/942053176.db2.gz XSTLQRDLPAVILM-FGZHOGPDSA-N 2 1 365.521 3.704 20 0 FHADMP CCc1nn(C)c(OC)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000513667430 942064329 /nfs/dbraw/zinc/06/43/29/942064329.db2.gz RNYKDUFXKJKWIQ-UHFFFAOYSA-N 2 1 370.541 3.524 20 0 FHADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513666251 942064447 /nfs/dbraw/zinc/06/44/47/942064447.db2.gz KIEQPVNQNBRHBU-YPAWHYETSA-N 2 1 352.526 3.576 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000415901938 942121018 /nfs/dbraw/zinc/12/10/18/942121018.db2.gz NVZZNBPSJRONJH-INIZCTEOSA-N 2 1 372.538 3.501 20 0 FHADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@H+]1Cc1ccccc1 ZINC000415925987 942155106 /nfs/dbraw/zinc/15/51/06/942155106.db2.gz CDSZXJYVJKTAFY-OAQYLSRUSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000415926483 942162229 /nfs/dbraw/zinc/16/22/29/942162229.db2.gz ZKGIZJQNLGJWIL-SJLPKXTDSA-N 2 1 358.530 3.571 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000415927032 942162794 /nfs/dbraw/zinc/16/27/94/942162794.db2.gz VZOSJBSTBPVPSK-NRFANRHFSA-N 2 1 368.525 3.684 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000415960860 942199825 /nfs/dbraw/zinc/19/98/25/942199825.db2.gz OFEWRYLOBAANRF-JOCHJYFZSA-N 2 1 366.509 3.582 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000415967290 942206299 /nfs/dbraw/zinc/20/62/99/942206299.db2.gz BCSZYVQXKRTMQJ-QGZVFWFLSA-N 2 1 372.538 3.501 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)C1 ZINC000415973234 942209674 /nfs/dbraw/zinc/20/96/74/942209674.db2.gz JGGDBCVSCIYMRY-KRWDZBQOSA-N 2 1 366.509 3.699 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[S@](=O)C(C)(C)C)CC1 ZINC000280705095 942236059 /nfs/dbraw/zinc/23/60/59/942236059.db2.gz AVQCNCSWTDWMHK-MORLXBONSA-N 2 1 350.572 3.566 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccccc3Cl)CC2)CC1 ZINC000420984116 942281426 /nfs/dbraw/zinc/28/14/26/942281426.db2.gz SJPREFSMRMHWFC-UHFFFAOYSA-N 2 1 363.977 3.765 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974394 942286450 /nfs/dbraw/zinc/28/64/50/942286450.db2.gz DNPBSXJIBDKIHN-NRFANRHFSA-N 2 1 361.961 3.819 20 0 FHADMP CCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000378122580 942295917 /nfs/dbraw/zinc/29/59/17/942295917.db2.gz UBDPVMORGIEJKP-UHFFFAOYSA-N 2 1 363.590 3.612 20 0 FHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1OC ZINC000501105695 942309658 /nfs/dbraw/zinc/30/96/58/942309658.db2.gz LACCXMGRWLFBFR-FQEVSTJZSA-N 2 1 361.574 3.884 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576943940 942333267 /nfs/dbraw/zinc/33/32/67/942333267.db2.gz NGCXAZRXFIUSDT-OAQYLSRUSA-N 2 1 372.944 3.777 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576943940 942333271 /nfs/dbraw/zinc/33/32/71/942333271.db2.gz NGCXAZRXFIUSDT-OAQYLSRUSA-N 2 1 372.944 3.777 20 0 FHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908429 942395720 /nfs/dbraw/zinc/39/57/20/942395720.db2.gz FKOVVMZFWNYNRX-MZYLBHOOSA-N 2 1 355.570 3.672 20 0 FHADMP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513713230 942446839 /nfs/dbraw/zinc/44/68/39/942446839.db2.gz MMNOSDOEEFSGIU-GUDVDZBRSA-N 2 1 370.459 3.846 20 0 FHADMP Cc1c(Cl)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1C ZINC000421323469 942481899 /nfs/dbraw/zinc/48/18/99/942481899.db2.gz VWBFSPQBAVWLKY-UHFFFAOYSA-N 2 1 372.944 3.870 20 0 FHADMP Cc1c(Cl)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nn1C ZINC000421323469 942481906 /nfs/dbraw/zinc/48/19/06/942481906.db2.gz VWBFSPQBAVWLKY-UHFFFAOYSA-N 2 1 372.944 3.870 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@]3(CO)C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000421342813 942495570 /nfs/dbraw/zinc/49/55/70/942495570.db2.gz OOAFYTHBTNPPMH-YWZLYKJASA-N 2 1 365.587 3.577 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@]3(CO)C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000421342813 942495572 /nfs/dbraw/zinc/49/55/72/942495572.db2.gz OOAFYTHBTNPPMH-YWZLYKJASA-N 2 1 365.587 3.577 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000501475622 942501648 /nfs/dbraw/zinc/50/16/48/942501648.db2.gz JVAADTFUPRKBJB-QIPHDZALSA-N 2 1 370.459 3.791 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)cc1 ZINC000421367004 942518783 /nfs/dbraw/zinc/51/87/83/942518783.db2.gz ASUBPNSHLWXNFR-GOSISDBHSA-N 2 1 362.558 3.956 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375482 942526817 /nfs/dbraw/zinc/52/68/17/942526817.db2.gz PFEDCKLGGATDOK-KRWDZBQOSA-N 2 1 365.512 3.560 20 0 FHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000501534693 942535210 /nfs/dbraw/zinc/53/52/10/942535210.db2.gz UZBMOHJIFUUSGS-OALUTQOASA-N 2 1 374.573 3.591 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000237076025 942578484 /nfs/dbraw/zinc/57/84/84/942578484.db2.gz VYTJSYMJJPBVQK-LJQANCHMSA-N 2 1 360.505 3.971 20 0 FHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513919922 942595327 /nfs/dbraw/zinc/59/53/27/942595327.db2.gz HAYZTQMWHPEQOR-IEBWSBKVSA-N 2 1 359.558 3.570 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295878 942599034 /nfs/dbraw/zinc/59/90/34/942599034.db2.gz BBVZVIWWANSQGQ-UWJYYQICSA-N 2 1 370.493 3.592 20 0 FHADMP C[C@@H]([NH3+])[C@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420275120 942600184 /nfs/dbraw/zinc/60/01/84/942600184.db2.gz ZBQUALQTVQXXRS-OLZOCXBDSA-N 2 1 355.511 3.568 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1F ZINC000647900435 942610045 /nfs/dbraw/zinc/61/00/45/942610045.db2.gz BRSKYEUWYJQDAI-PKOBYXMFSA-N 2 1 372.488 3.581 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000420299596 942610180 /nfs/dbraw/zinc/61/01/80/942610180.db2.gz JBIJDYXZRDTNLU-JOCHJYFZSA-N 2 1 368.521 3.666 20 0 FHADMP Clc1cccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420314208 942617012 /nfs/dbraw/zinc/61/70/12/942617012.db2.gz QIFDQAWRNPJOEF-IBGZPJMESA-N 2 1 359.901 3.758 20 0 FHADMP Clc1cccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420314208 942617019 /nfs/dbraw/zinc/61/70/19/942617019.db2.gz QIFDQAWRNPJOEF-IBGZPJMESA-N 2 1 359.901 3.758 20 0 FHADMP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320447 942619970 /nfs/dbraw/zinc/61/99/70/942619970.db2.gz QFFLJDMXVPZOIQ-VFNWGFHPSA-N 2 1 372.534 3.712 20 0 FHADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320348 942621013 /nfs/dbraw/zinc/62/10/13/942621013.db2.gz BIZLDAOENQGXQP-USXIJHARSA-N 2 1 358.461 3.567 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000420325405 942628708 /nfs/dbraw/zinc/62/87/08/942628708.db2.gz WCDLIKOLYZAZFQ-HUUCEWRRSA-N 2 1 351.450 3.673 20 0 FHADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333576 942631997 /nfs/dbraw/zinc/63/19/97/942631997.db2.gz FIZHYHPRDRTATJ-URVUXULASA-N 2 1 363.505 3.688 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420382777 942648125 /nfs/dbraw/zinc/64/81/25/942648125.db2.gz DECRIBKLIFRTCL-PBHICJAKSA-N 2 1 358.507 3.652 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420382777 942648131 /nfs/dbraw/zinc/64/81/31/942648131.db2.gz DECRIBKLIFRTCL-PBHICJAKSA-N 2 1 358.507 3.652 20 0 FHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409526 942665115 /nfs/dbraw/zinc/66/51/15/942665115.db2.gz XESHWCGJWBTYSZ-GUYCJALGSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647902092 942665922 /nfs/dbraw/zinc/66/59/22/942665922.db2.gz ZWWSJSQCWHCOED-IRLDBZIGSA-N 2 1 363.505 3.903 20 0 FHADMP c1ccc(COc2cncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000420411921 942666221 /nfs/dbraw/zinc/66/62/21/942666221.db2.gz YUPCHTMPAMBSJD-IFMALSPDSA-N 2 1 351.494 3.625 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000420411921 942666223 /nfs/dbraw/zinc/66/62/23/942666223.db2.gz YUPCHTMPAMBSJD-IFMALSPDSA-N 2 1 351.494 3.625 20 0 FHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000501791816 942674477 /nfs/dbraw/zinc/67/44/77/942674477.db2.gz GJWUXZMJHKCPCU-UHFFFAOYSA-N 2 1 371.447 3.698 20 0 FHADMP Cc1cc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737933 942690493 /nfs/dbraw/zinc/69/04/93/942690493.db2.gz LQGTVYFNATUHOE-NRFANRHFSA-N 2 1 373.589 3.718 20 0 FHADMP Cc1cc(C[N@H+](CC[C@@H]2CCC[NH+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737933 942690499 /nfs/dbraw/zinc/69/04/99/942690499.db2.gz LQGTVYFNATUHOE-NRFANRHFSA-N 2 1 373.589 3.718 20 0 FHADMP Cc1cc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737933 942690503 /nfs/dbraw/zinc/69/05/03/942690503.db2.gz LQGTVYFNATUHOE-NRFANRHFSA-N 2 1 373.589 3.718 20 0 FHADMP Cc1cc(C[NH+](CC[C@@H]2CCC[N@H+]2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000502737933 942690509 /nfs/dbraw/zinc/69/05/09/942690509.db2.gz LQGTVYFNATUHOE-NRFANRHFSA-N 2 1 373.589 3.718 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741768 /nfs/dbraw/zinc/74/17/68/942741768.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741772 /nfs/dbraw/zinc/74/17/72/942741772.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741776 /nfs/dbraw/zinc/74/17/76/942741776.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741779 /nfs/dbraw/zinc/74/17/79/942741779.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741784 /nfs/dbraw/zinc/74/17/84/942741784.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741786 /nfs/dbraw/zinc/74/17/86/942741786.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741791 /nfs/dbraw/zinc/74/17/91/942741791.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741794 /nfs/dbraw/zinc/74/17/94/942741794.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741796 /nfs/dbraw/zinc/74/17/96/942741796.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000514094550 942744117 /nfs/dbraw/zinc/74/41/17/942744117.db2.gz KRRHJTRTRGQRRZ-TZIWHRDSSA-N 2 1 352.563 3.896 20 0 FHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccncc1Cl ZINC000421818393 942845547 /nfs/dbraw/zinc/84/55/47/942845547.db2.gz AQLKLLJVSRAAJE-DYESRHJHSA-N 2 1 372.944 3.764 20 0 FHADMP Cc1nc2ccccc2nc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378539544 942871942 /nfs/dbraw/zinc/87/19/42/942871942.db2.gz OBGBHVMDZQKZLQ-UHFFFAOYSA-N 2 1 361.493 3.682 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120251 942916434 /nfs/dbraw/zinc/91/64/34/942916434.db2.gz BBNSVWKXJMOSDP-HSZRJFAPSA-N 2 1 366.505 3.898 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120251 942916440 /nfs/dbraw/zinc/91/64/40/942916440.db2.gz BBNSVWKXJMOSDP-HSZRJFAPSA-N 2 1 366.505 3.898 20 0 FHADMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120251 942916444 /nfs/dbraw/zinc/91/64/44/942916444.db2.gz BBNSVWKXJMOSDP-HSZRJFAPSA-N 2 1 366.505 3.898 20 0 FHADMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120251 942916448 /nfs/dbraw/zinc/91/64/48/942916448.db2.gz BBNSVWKXJMOSDP-HSZRJFAPSA-N 2 1 366.505 3.898 20 0 FHADMP c1[nH+]cn2c1C[C@H](c1nc(-c3cccc(C[NH+]4CCCCC4)c3)no1)CC2 ZINC000378640712 942990103 /nfs/dbraw/zinc/99/01/03/942990103.db2.gz WJRUENUBCIPCDU-GOSISDBHSA-N 2 1 363.465 3.649 20 0 FHADMP C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000414858669 943052185 /nfs/dbraw/zinc/05/21/85/943052185.db2.gz SGUAXEATKNHDEP-HKUYNNGSSA-N 2 1 354.542 3.707 20 0 FHADMP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000272239928 943119847 /nfs/dbraw/zinc/11/98/47/943119847.db2.gz VEPVCKVYDNGEGK-NHCUHLMSSA-N 2 1 370.541 3.540 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000435061781 943135420 /nfs/dbraw/zinc/13/54/20/943135420.db2.gz TZLMYPXPNUJBBW-UHFFFAOYSA-N 2 1 365.481 3.891 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663850 943151339 /nfs/dbraw/zinc/15/13/39/943151339.db2.gz RYBAPJOXWVAUEB-MAUKXSAKSA-N 2 1 358.457 3.582 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000414672492 943191261 /nfs/dbraw/zinc/19/12/61/943191261.db2.gz PNHWTENFKVMYAI-FFZOFVMBSA-N 2 1 362.477 3.610 20 0 FHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272648846 943193139 /nfs/dbraw/zinc/19/31/39/943193139.db2.gz JTUFACAGJOHEBD-PZJWPPBQSA-N 2 1 371.569 3.524 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733781 943212141 /nfs/dbraw/zinc/21/21/41/943212141.db2.gz JHUWWUBRWTZTHQ-YADHBBJMSA-N 2 1 354.469 3.633 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000514687644 943216292 /nfs/dbraw/zinc/21/62/92/943216292.db2.gz UDQSCVDDHPUBHV-OLZOCXBDSA-N 2 1 368.294 3.950 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414678933 943222783 /nfs/dbraw/zinc/22/27/83/943222783.db2.gz YOYTZAJDKDKRSB-UXLLHSPISA-N 2 1 352.906 3.697 20 0 FHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414678933 943222784 /nfs/dbraw/zinc/22/27/84/943222784.db2.gz YOYTZAJDKDKRSB-UXLLHSPISA-N 2 1 352.906 3.697 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706302 943241260 /nfs/dbraw/zinc/24/12/60/943241260.db2.gz DVCNVFGHVMSHEO-HTAPYJJXSA-N 2 1 365.521 3.863 20 0 FHADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000422706845 943241395 /nfs/dbraw/zinc/24/13/95/943241395.db2.gz GEKBCOSVEMBFCM-PDGJWGCVSA-N 2 1 371.569 3.733 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)C1 ZINC000514725754 943250224 /nfs/dbraw/zinc/25/02/24/943250224.db2.gz CXHUTJZMDFRWSQ-OAQYLSRUSA-N 2 1 374.532 3.948 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)C1 ZINC000514725754 943250231 /nfs/dbraw/zinc/25/02/31/943250231.db2.gz CXHUTJZMDFRWSQ-OAQYLSRUSA-N 2 1 374.532 3.948 20 0 FHADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228937607 943262777 /nfs/dbraw/zinc/26/27/77/943262777.db2.gz PYQFXDUMBRVKSZ-OWCLPIDISA-N 2 1 352.469 3.847 20 0 FHADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228937607 943262780 /nfs/dbraw/zinc/26/27/80/943262780.db2.gz PYQFXDUMBRVKSZ-OWCLPIDISA-N 2 1 352.469 3.847 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422756824 943274779 /nfs/dbraw/zinc/27/47/79/943274779.db2.gz IDYDLCFGJSNIER-DDBAPUKQSA-N 2 1 355.448 3.558 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093006878 943277731 /nfs/dbraw/zinc/27/77/31/943277731.db2.gz ZUFXLLXUMQMAHB-UHFFFAOYSA-N 2 1 354.542 3.982 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)cc1 ZINC000422777628 943278928 /nfs/dbraw/zinc/27/89/28/943278928.db2.gz FVUVYARBHBNBKN-PKTZIBPZSA-N 2 1 365.521 3.642 20 0 FHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422802129 943288652 /nfs/dbraw/zinc/28/86/52/943288652.db2.gz AXSJLOOVCWHSJV-HNAYVOBHSA-N 2 1 366.427 3.814 20 0 FHADMP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422850991 943305704 /nfs/dbraw/zinc/30/57/04/943305704.db2.gz DSUQGNWLTDCVLV-SFHLNBCPSA-N 2 1 360.542 3.811 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841644 943311457 /nfs/dbraw/zinc/31/14/57/943311457.db2.gz DJWRQLJXZSMHRC-UXHICEINSA-N 2 1 355.457 3.828 20 0 FHADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422845882 943313085 /nfs/dbraw/zinc/31/30/85/943313085.db2.gz PARLJBBPXFXMPX-IFMALSPDSA-N 2 1 364.468 3.903 20 0 FHADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000422879689 943314892 /nfs/dbraw/zinc/31/48/92/943314892.db2.gz WAOKQEAQUXHKDG-XTQVGHSUSA-N 2 1 363.505 3.947 20 0 FHADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422880983 943314917 /nfs/dbraw/zinc/31/49/17/943314917.db2.gz YDPUQMCHBKZFPZ-GVDBMIGSSA-N 2 1 354.441 3.697 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422881433 943316306 /nfs/dbraw/zinc/31/63/06/943316306.db2.gz NOJQHGRTQFTRMM-SVIJTADQSA-N 2 1 350.466 3.766 20 0 FHADMP CC(C)n1cncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000425335189 943323185 /nfs/dbraw/zinc/32/31/85/943323185.db2.gz ICLOUUWLMPXBCG-UHFFFAOYSA-N 2 1 352.526 3.952 20 0 FHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422893309 943330438 /nfs/dbraw/zinc/33/04/38/943330438.db2.gz PZRBYFFTBREPPR-FCHUYYIVSA-N 3 1 353.510 3.642 20 0 FHADMP C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414704186 943332729 /nfs/dbraw/zinc/33/27/29/943332729.db2.gz CVLFRBRRDJWGKK-LJQANCHMSA-N 2 1 358.530 3.667 20 0 FHADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422942463 943340374 /nfs/dbraw/zinc/34/03/74/943340374.db2.gz KIOGJQHUCWVBSN-FIKGOQFSSA-N 2 1 353.510 3.719 20 0 FHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000422966813 943343321 /nfs/dbraw/zinc/34/33/21/943343321.db2.gz ASWSCTRICSIHMW-YLJYHZDGSA-N 2 1 369.509 3.610 20 0 FHADMP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422959213 943349938 /nfs/dbraw/zinc/34/99/38/943349938.db2.gz RBDSHVZUCCLJMC-IPJJNNNSSA-N 2 1 350.462 3.582 20 0 FHADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374272 943355958 /nfs/dbraw/zinc/35/59/58/943355958.db2.gz PXIZCIMUQPTWSY-HOTGVXAUSA-N 2 1 352.507 3.770 20 0 FHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370530 943364564 /nfs/dbraw/zinc/36/45/64/943364564.db2.gz JCRIQGUXNBCQGI-ZBFHGGJFSA-N 2 1 357.885 3.761 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377966 943367001 /nfs/dbraw/zinc/36/70/01/943367001.db2.gz BQCIBXLQQRGDOQ-BEFAXECRSA-N 2 1 358.457 3.582 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000435377966 943367007 /nfs/dbraw/zinc/36/70/07/943367007.db2.gz BQCIBXLQQRGDOQ-BEFAXECRSA-N 2 1 358.457 3.582 20 0 FHADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022900 943369203 /nfs/dbraw/zinc/36/92/03/943369203.db2.gz IMYLTRKAPRGFRW-LZBRWLDZSA-N 2 1 353.913 3.592 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423096529 943392942 /nfs/dbraw/zinc/39/29/42/943392942.db2.gz PDTXJFDCBDJDNA-UNWVZKJWSA-N 2 1 369.553 3.629 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000423096529 943392946 /nfs/dbraw/zinc/39/29/46/943392946.db2.gz PDTXJFDCBDJDNA-UNWVZKJWSA-N 2 1 369.553 3.629 20 0 FHADMP COc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1OC ZINC000435433643 943397080 /nfs/dbraw/zinc/39/70/80/943397080.db2.gz TWDPRJYJNOSCBM-IBGZPJMESA-N 2 1 372.534 3.910 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000414717679 943398084 /nfs/dbraw/zinc/39/80/84/943398084.db2.gz USKZNPTWMUIUHE-UHFFFAOYSA-N 2 1 358.530 3.667 20 0 FHADMP CCn1ccnc1C[N@H+](Cc1ccc(C)cc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435429526 943408058 /nfs/dbraw/zinc/40/80/58/943408058.db2.gz XNCCXVMDZBYGDA-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP CCn1ccnc1C[N@@H+](Cc1ccc(C)cc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435429526 943408063 /nfs/dbraw/zinc/40/80/63/943408063.db2.gz XNCCXVMDZBYGDA-HXUWFJFHSA-N 2 1 352.526 3.664 20 0 FHADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000503919181 943408913 /nfs/dbraw/zinc/40/89/13/943408913.db2.gz FLNQPYGUIXBZTJ-RTBURBONSA-N 2 1 352.469 3.834 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423134447 943414395 /nfs/dbraw/zinc/41/43/95/943414395.db2.gz RXDFRLGPJMOMHK-CEMLEFRQSA-N 2 1 354.469 3.739 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143549 943418397 /nfs/dbraw/zinc/41/83/97/943418397.db2.gz XFAVRNPRJAJURW-GHTZIAJQSA-N 3 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143549 943418405 /nfs/dbraw/zinc/41/84/05/943418405.db2.gz XFAVRNPRJAJURW-GHTZIAJQSA-N 2 1 366.553 3.802 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423143549 943418408 /nfs/dbraw/zinc/41/84/08/943418408.db2.gz XFAVRNPRJAJURW-GHTZIAJQSA-N 2 1 366.553 3.802 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)c(Br)c1 ZINC000423184037 943420274 /nfs/dbraw/zinc/42/02/74/943420274.db2.gz HLQURBPFYZALHK-CYBMUJFWSA-N 2 1 366.278 3.814 20 0 FHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180264 943428946 /nfs/dbraw/zinc/42/89/46/943428946.db2.gz APAXBXWKJHPKPP-AWEZNQCLSA-N 2 1 366.328 3.662 20 0 FHADMP CC1(C)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C[C@@H]1OCc1ccccc1 ZINC000423187100 943435259 /nfs/dbraw/zinc/43/52/59/943435259.db2.gz LSYRISPSBZXBLS-RTWAWAEBSA-N 2 1 353.510 3.535 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(OC(F)(F)F)c1 ZINC000423188230 943435265 /nfs/dbraw/zinc/43/52/65/943435265.db2.gz NHEUWTMMPWVXIY-CQSZACIVSA-N 2 1 353.388 3.811 20 0 FHADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423281706 943470700 /nfs/dbraw/zinc/47/07/00/943470700.db2.gz UMIHLXSTCIYHPV-ISVAXAHUSA-N 2 1 351.210 3.856 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000423316708 943473361 /nfs/dbraw/zinc/47/33/61/943473361.db2.gz AIMPXBBAQFOUGP-MUDYYLEHSA-N 2 1 356.432 3.851 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCCc2cccnc2)cc1 ZINC000423317926 943474038 /nfs/dbraw/zinc/47/40/38/943474038.db2.gz BFVDKWWCDUJDDZ-HSQYWUDLSA-N 2 1 353.510 3.537 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066349 943484425 /nfs/dbraw/zinc/48/44/25/943484425.db2.gz OXSICUYSHQHPRE-PUHATCMVSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000515066349 943484426 /nfs/dbraw/zinc/48/44/26/943484426.db2.gz OXSICUYSHQHPRE-PUHATCMVSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515066349 943484427 /nfs/dbraw/zinc/48/44/27/943484427.db2.gz OXSICUYSHQHPRE-PUHATCMVSA-N 2 1 355.570 3.847 20 0 FHADMP CC1CC[NH+](CCC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)cc2)CC1 ZINC000423402176 943507597 /nfs/dbraw/zinc/50/75/97/943507597.db2.gz RJDPIPRLZLLGKD-NYVOZVTQSA-N 2 1 361.549 3.967 20 0 FHADMP CC(C)(C)[NH2+]CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000414744376 943518076 /nfs/dbraw/zinc/51/80/76/943518076.db2.gz IFCYIKXYAITZER-UHFFFAOYSA-N 2 1 358.357 3.542 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423464294 943523406 /nfs/dbraw/zinc/52/34/06/943523406.db2.gz QRLJBXCRTPXAFK-DWPOADTPSA-N 2 1 353.554 3.535 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423464294 943523409 /nfs/dbraw/zinc/52/34/09/943523409.db2.gz QRLJBXCRTPXAFK-DWPOADTPSA-N 2 1 353.554 3.535 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000423472185 943525430 /nfs/dbraw/zinc/52/54/30/943525430.db2.gz MXXXFTKOZPJUJV-HZUJVAHNSA-N 2 1 372.484 3.887 20 0 FHADMP COc1cccc(CCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435630983 943528282 /nfs/dbraw/zinc/52/82/82/943528282.db2.gz ZFLAKKHUCGXGRX-NRFANRHFSA-N 2 1 353.510 3.667 20 0 FHADMP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1F ZINC000423509031 943540661 /nfs/dbraw/zinc/54/06/61/943540661.db2.gz LDPQEFFFLCBBKK-JMLCCBQJSA-N 2 1 353.913 3.736 20 0 FHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cc1Cl ZINC000423523979 943545436 /nfs/dbraw/zinc/54/54/36/943545436.db2.gz WOKUOMHAASFWJF-IUDNXUCKSA-N 2 1 356.341 3.860 20 0 FHADMP CC[N@H+](C)[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000504230550 943548019 /nfs/dbraw/zinc/54/80/19/943548019.db2.gz UCKHCVDXXIHFTD-IBGZPJMESA-N 2 1 350.466 3.839 20 0 FHADMP CC[N@@H+](C)[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000504230550 943548022 /nfs/dbraw/zinc/54/80/22/943548022.db2.gz UCKHCVDXXIHFTD-IBGZPJMESA-N 2 1 350.466 3.839 20 0 FHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000423541778 943551961 /nfs/dbraw/zinc/55/19/61/943551961.db2.gz AWLXVDDWBQPISP-INIZCTEOSA-N 2 1 359.464 3.609 20 0 FHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000423545477 943553176 /nfs/dbraw/zinc/55/31/76/943553176.db2.gz CQTZNZGHMPGTQW-MRXNPFEDSA-N 2 1 359.464 3.609 20 0 FHADMP Cn1ccnc1C[N@@H+](CCc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690914 943558551 /nfs/dbraw/zinc/55/85/51/943558551.db2.gz CDBFDESBYCOGCJ-JOCHJYFZSA-N 2 1 374.532 3.760 20 0 FHADMP CCC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423579736 943563191 /nfs/dbraw/zinc/56/31/91/943563191.db2.gz WSEBESWHWCILHN-HXUWFJFHSA-N 2 1 352.526 3.506 20 0 FHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000435749604 943584030 /nfs/dbraw/zinc/58/40/30/943584030.db2.gz VBWAFULOKNLWAJ-FQEVSTJZSA-N 2 1 363.590 3.800 20 0 FHADMP c1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000584782894 943602434 /nfs/dbraw/zinc/60/24/34/943602434.db2.gz VUYBVBZKFRKLKL-QHCPKHFHSA-N 2 1 373.504 3.510 20 0 FHADMP c1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000584782894 943602437 /nfs/dbraw/zinc/60/24/37/943602437.db2.gz VUYBVBZKFRKLKL-QHCPKHFHSA-N 2 1 373.504 3.510 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000423822070 943620099 /nfs/dbraw/zinc/62/00/99/943620099.db2.gz IITDWWYUWCCFSS-MJXNMMHHSA-N 2 1 357.885 3.535 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000423822070 943620100 /nfs/dbraw/zinc/62/01/00/943620100.db2.gz IITDWWYUWCCFSS-MJXNMMHHSA-N 2 1 357.885 3.535 20 0 FHADMP Cc1[nH+]ccn1CCCOc1cccc(OCCCn2cc[nH+]c2C)c1F ZINC000424102515 943719189 /nfs/dbraw/zinc/71/91/89/943719189.db2.gz OVNMVGJCWGINOR-UHFFFAOYSA-N 2 1 372.444 3.774 20 0 FHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1C ZINC000515300548 943784449 /nfs/dbraw/zinc/78/44/49/943784449.db2.gz IBTQGWQGXNYIBJ-HXUWFJFHSA-N 2 1 352.526 3.807 20 0 FHADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1C ZINC000515300548 943784455 /nfs/dbraw/zinc/78/44/55/943784455.db2.gz IBTQGWQGXNYIBJ-HXUWFJFHSA-N 2 1 352.526 3.807 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1c(-c3ccccc3)nc3ccccn31)CC[NH2+]CC2 ZINC000424289644 943820423 /nfs/dbraw/zinc/82/04/23/943820423.db2.gz MFOZGQFZCXGPFF-SFHVURJKSA-N 2 1 360.505 3.965 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCc3cccnc3)cc1)CC[NH2+]CC2 ZINC000424299964 943826824 /nfs/dbraw/zinc/82/68/24/943826824.db2.gz WIIVJUDIWUEHLJ-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866935 943827763 /nfs/dbraw/zinc/82/77/63/943827763.db2.gz YGDHYMHUXWZUMU-REWPJTCUSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866935 943827769 /nfs/dbraw/zinc/82/77/69/943827769.db2.gz YGDHYMHUXWZUMU-REWPJTCUSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584866935 943827778 /nfs/dbraw/zinc/82/77/78/943827778.db2.gz YGDHYMHUXWZUMU-REWPJTCUSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866935 943827784 /nfs/dbraw/zinc/82/77/84/943827784.db2.gz YGDHYMHUXWZUMU-REWPJTCUSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@H](NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584866935 943827788 /nfs/dbraw/zinc/82/77/88/943827788.db2.gz YGDHYMHUXWZUMU-REWPJTCUSA-N 2 1 351.538 3.619 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424301119 943827919 /nfs/dbraw/zinc/82/79/19/943827919.db2.gz XBPMYXCXSZDRBJ-CYBMUJFWSA-N 2 1 370.324 3.786 20 0 FHADMP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424273566 943829613 /nfs/dbraw/zinc/82/96/13/943829613.db2.gz SZRWXPKEAUJVRZ-IBGZPJMESA-N 2 1 359.539 3.517 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000516975150 943875612 /nfs/dbraw/zinc/87/56/12/943875612.db2.gz OYADMLQKNDEKIC-CVDCTZTESA-N 2 1 351.538 3.891 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000516975150 943875625 /nfs/dbraw/zinc/87/56/25/943875625.db2.gz OYADMLQKNDEKIC-CVDCTZTESA-N 2 1 351.538 3.891 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000417973413 944027430 /nfs/dbraw/zinc/02/74/30/944027430.db2.gz CKXMJXQAGWVKQA-VJBWXMMDSA-N 2 1 350.506 3.537 20 0 FHADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000425473815 944045303 /nfs/dbraw/zinc/04/53/03/944045303.db2.gz IVEKRRBNVQAYMY-QHCPKHFHSA-N 2 1 364.533 3.578 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000500095601 944088352 /nfs/dbraw/zinc/08/83/52/944088352.db2.gz GKYQDJRFZDRJRE-HSZRJFAPSA-N 2 1 357.586 3.747 20 0 FHADMP CCCCOc1ccc(CNC2CC[NH+](CCOC)CC2)cc1Cl ZINC000467362268 944094944 /nfs/dbraw/zinc/09/49/44/944094944.db2.gz NXTFOMGVKLNYCM-UHFFFAOYSA-N 2 1 354.922 3.719 20 0 FHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1Cl ZINC000467362268 944094952 /nfs/dbraw/zinc/09/49/52/944094952.db2.gz NXTFOMGVKLNYCM-UHFFFAOYSA-N 2 1 354.922 3.719 20 0 FHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000120147378 944096252 /nfs/dbraw/zinc/09/62/52/944096252.db2.gz LZFQBHPPSFHIMT-KRWDZBQOSA-N 2 1 351.494 3.960 20 0 FHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000436248931 944135812 /nfs/dbraw/zinc/13/58/12/944135812.db2.gz YUWZAXVNAKUIGM-UHFFFAOYSA-N 2 1 351.450 3.605 20 0 FHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129028 944143254 /nfs/dbraw/zinc/14/32/54/944143254.db2.gz KBCCFDPREOQUMP-IBGZPJMESA-N 2 1 358.526 3.806 20 0 FHADMP c1ccc([C@H]2CC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C2)cc1 ZINC000436266510 944157326 /nfs/dbraw/zinc/15/73/26/944157326.db2.gz AENQHYUQNCNDGP-NZQKXSOJSA-N 2 1 350.506 3.945 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000500140611 944161852 /nfs/dbraw/zinc/16/18/52/944161852.db2.gz QYIFAEJACVHAFC-QHCPKHFHSA-N 2 1 355.570 3.945 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000436289627 944175402 /nfs/dbraw/zinc/17/54/02/944175402.db2.gz YCEHGOHNMOGLIR-STRKUORWSA-N 2 1 366.496 3.937 20 0 FHADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000515756346 944184706 /nfs/dbraw/zinc/18/47/06/944184706.db2.gz ZNUMFLQUUVVQNW-ZWKOTPCHSA-N 2 1 359.558 3.701 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756125 944184777 /nfs/dbraw/zinc/18/47/77/944184777.db2.gz MAWQUWWFECRADR-UXHICEINSA-N 2 1 371.569 3.798 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000515756343 944184925 /nfs/dbraw/zinc/18/49/25/944184925.db2.gz ZNUMFLQUUVVQNW-MSOLQXFVSA-N 2 1 359.558 3.701 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917607 944210250 /nfs/dbraw/zinc/21/02/50/944210250.db2.gz RVFZOJCSZZJBCI-HXUWFJFHSA-N 2 1 360.933 3.681 20 0 FHADMP Cc1nn(C)c(C)c1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000366680434 944233714 /nfs/dbraw/zinc/23/37/14/944233714.db2.gz REPOZGRFOWUITK-UHFFFAOYSA-N 2 1 354.542 3.612 20 0 FHADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000518285935 944236183 /nfs/dbraw/zinc/23/61/83/944236183.db2.gz ZZXPEHRVKZJTNG-GOSISDBHSA-N 2 1 362.514 3.737 20 0 FHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)C[NH+](C)C ZINC000425943056 944311056 /nfs/dbraw/zinc/31/10/56/944311056.db2.gz PMLQDVYWJJWFMG-MNOVXSKESA-N 2 1 352.372 3.738 20 0 FHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156814 944311877 /nfs/dbraw/zinc/31/18/77/944311877.db2.gz KWVLIDFDGFNASV-RPWUZVMVSA-N 2 1 364.533 3.927 20 0 FHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550156814 944311884 /nfs/dbraw/zinc/31/18/84/944311884.db2.gz KWVLIDFDGFNASV-RPWUZVMVSA-N 2 1 364.533 3.927 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)on1 ZINC000518393075 944347293 /nfs/dbraw/zinc/34/72/93/944347293.db2.gz JFRKHDDKMDXTSY-ZBFHGGJFSA-N 2 1 351.450 3.815 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)on1 ZINC000518393075 944347305 /nfs/dbraw/zinc/34/73/05/944347305.db2.gz JFRKHDDKMDXTSY-ZBFHGGJFSA-N 2 1 351.450 3.815 20 0 FHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373304 944362840 /nfs/dbraw/zinc/36/28/40/944362840.db2.gz OVCMUWGIIKODHY-HFTRVMKXSA-N 2 1 358.448 3.632 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414886205 944364633 /nfs/dbraw/zinc/36/46/33/944364633.db2.gz VNAVHGOSPVWXBC-UHFFFAOYSA-N 2 1 363.509 3.660 20 0 FHADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000436483118 944368568 /nfs/dbraw/zinc/36/85/68/944368568.db2.gz CPKJNEQXJNIMLR-PMOQBDJRSA-N 2 1 352.522 3.575 20 0 FHADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000436483118 944368576 /nfs/dbraw/zinc/36/85/76/944368576.db2.gz CPKJNEQXJNIMLR-PMOQBDJRSA-N 2 1 352.522 3.575 20 0 FHADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000436483118 944368583 /nfs/dbraw/zinc/36/85/83/944368583.db2.gz CPKJNEQXJNIMLR-PMOQBDJRSA-N 2 1 352.522 3.575 20 0 FHADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000436483118 944368589 /nfs/dbraw/zinc/36/85/89/944368589.db2.gz CPKJNEQXJNIMLR-PMOQBDJRSA-N 2 1 352.522 3.575 20 0 FHADMP COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837509 944370052 /nfs/dbraw/zinc/37/00/52/944370052.db2.gz OKJACYADQYGDJB-NRFANRHFSA-N 2 1 369.509 3.806 20 0 FHADMP COc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664837509 944370056 /nfs/dbraw/zinc/37/00/56/944370056.db2.gz OKJACYADQYGDJB-NRFANRHFSA-N 2 1 369.509 3.806 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167755078 944383243 /nfs/dbraw/zinc/38/32/43/944383243.db2.gz ZVTVQBZGVGAJFY-LJQANCHMSA-N 3 1 358.574 3.534 20 0 FHADMP c1ccc2nc(N3CCCCC3)c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000261973930 944387156 /nfs/dbraw/zinc/38/71/56/944387156.db2.gz ILOKVVOKTADWEF-UHFFFAOYSA-N 2 1 364.537 3.801 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000390538512 944396950 /nfs/dbraw/zinc/39/69/50/944396950.db2.gz GUIZXHRCKNDVIC-OAQYLSRUSA-N 2 1 354.494 3.791 20 0 FHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000390538512 944396955 /nfs/dbraw/zinc/39/69/55/944396955.db2.gz GUIZXHRCKNDVIC-OAQYLSRUSA-N 2 1 354.494 3.791 20 0 FHADMP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)C2 ZINC000425956891 944399579 /nfs/dbraw/zinc/39/95/79/944399579.db2.gz YUDRGTWAITWZOD-SFHVURJKSA-N 2 1 365.452 3.976 20 0 FHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000438186025 944402882 /nfs/dbraw/zinc/40/28/82/944402882.db2.gz DOLQKVGCMYORBR-QPXUXIHVSA-N 2 1 364.533 3.795 20 0 FHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000438186025 944402885 /nfs/dbraw/zinc/40/28/85/944402885.db2.gz DOLQKVGCMYORBR-QPXUXIHVSA-N 2 1 364.533 3.795 20 0 FHADMP CC1(C)C[N@@H+](CCc2cn[nH]c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837950 944406077 /nfs/dbraw/zinc/40/60/77/944406077.db2.gz QGGUTCVPPAFAIZ-NRFANRHFSA-N 2 1 352.526 3.575 20 0 FHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cc4ccccc4n(C)c3=O)CC2)C1 ZINC000426300795 944411133 /nfs/dbraw/zinc/41/11/33/944411133.db2.gz JJIJXLVHFAPZNV-UWJYYQICSA-N 2 1 367.537 3.671 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301101 944412770 /nfs/dbraw/zinc/41/27/70/944412770.db2.gz LLSRIXJEMMBNNH-SJLPKXTDSA-N 2 1 358.555 3.704 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1 ZINC000426302208 944414700 /nfs/dbraw/zinc/41/47/00/944414700.db2.gz HMSFHIZBNMYOMW-INIZCTEOSA-N 2 1 372.472 3.883 20 0 FHADMP Fc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)c1 ZINC001167977800 944429754 /nfs/dbraw/zinc/42/97/54/944429754.db2.gz FLNKFTHSOHEADD-SEJPIABJSA-N 2 1 358.501 3.826 20 0 FHADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390553671 944447485 /nfs/dbraw/zinc/44/74/85/944447485.db2.gz KTTDLFLJKHEOBF-MHJFOBGBSA-N 2 1 358.526 3.609 20 0 FHADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390553671 944447489 /nfs/dbraw/zinc/44/74/89/944447489.db2.gz KTTDLFLJKHEOBF-MHJFOBGBSA-N 2 1 358.526 3.609 20 0 FHADMP COc1ccc2c(c1)SC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167981991 944492542 /nfs/dbraw/zinc/49/25/42/944492542.db2.gz RWAGHHZCWAURDU-HRVKUGKESA-N 2 1 358.551 3.707 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981950 944492676 /nfs/dbraw/zinc/49/26/76/944492676.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981950 944492679 /nfs/dbraw/zinc/49/26/79/944492679.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981950 944492685 /nfs/dbraw/zinc/49/26/85/944492685.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981950 944492689 /nfs/dbraw/zinc/49/26/89/944492689.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 2 1 367.581 3.892 20 0 FHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981950 944492692 /nfs/dbraw/zinc/49/26/92/944492692.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 2 1 367.581 3.892 20 0 FHADMP COc1cccc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CS2 ZINC001167982052 944493435 /nfs/dbraw/zinc/49/34/35/944493435.db2.gz UUFFRXFCDYUMTJ-KCBNDJSGSA-N 2 1 358.551 3.707 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+](C)C(C)C)c1)c1ccccc1 ZINC000517683394 944509770 /nfs/dbraw/zinc/50/97/70/944509770.db2.gz BTJWZZFFCYOMCH-JOCHJYFZSA-N 2 1 367.537 3.836 20 0 FHADMP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)c1ccccc1 ZINC000517683394 944509773 /nfs/dbraw/zinc/50/97/73/944509773.db2.gz BTJWZZFFCYOMCH-JOCHJYFZSA-N 2 1 367.537 3.836 20 0 FHADMP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccc1 ZINC000517683394 944509777 /nfs/dbraw/zinc/50/97/77/944509777.db2.gz BTJWZZFFCYOMCH-JOCHJYFZSA-N 2 1 367.537 3.836 20 0 FHADMP COc1cccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cc(F)ccc2OC)c1 ZINC000516194058 944566383 /nfs/dbraw/zinc/56/63/83/944566383.db2.gz XCPHXQPTOJHLKM-FIKGOQFSSA-N 2 1 358.457 3.792 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398209696 944615176 /nfs/dbraw/zinc/61/51/76/944615176.db2.gz RWIVFXORIPORQY-LAUBAEHRSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398209696 944615180 /nfs/dbraw/zinc/61/51/80/944615180.db2.gz RWIVFXORIPORQY-LAUBAEHRSA-N 2 1 354.494 3.704 20 0 FHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000518708016 944635283 /nfs/dbraw/zinc/63/52/83/944635283.db2.gz HPOKCMQRFKVGRI-PMACEKPBSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000518708016 944635290 /nfs/dbraw/zinc/63/52/90/944635290.db2.gz HPOKCMQRFKVGRI-PMACEKPBSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000518708016 944635298 /nfs/dbraw/zinc/63/52/98/944635298.db2.gz HPOKCMQRFKVGRI-PMACEKPBSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000518708019 944635785 /nfs/dbraw/zinc/63/57/85/944635785.db2.gz HPOKCMQRFKVGRI-WOJBJXKFSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000518708019 944635791 /nfs/dbraw/zinc/63/57/91/944635791.db2.gz HPOKCMQRFKVGRI-WOJBJXKFSA-N 2 1 366.594 3.595 20 0 FHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000518708019 944635796 /nfs/dbraw/zinc/63/57/96/944635796.db2.gz HPOKCMQRFKVGRI-WOJBJXKFSA-N 2 1 366.594 3.595 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@@H]21 ZINC000516292859 944674674 /nfs/dbraw/zinc/67/46/74/944674674.db2.gz AAAPRSGDIZCZRZ-PLACYPQZSA-N 2 1 374.488 3.885 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@@H]21 ZINC000516292859 944674679 /nfs/dbraw/zinc/67/46/79/944674679.db2.gz AAAPRSGDIZCZRZ-PLACYPQZSA-N 2 1 374.488 3.885 20 0 FHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638306261 944700708 /nfs/dbraw/zinc/70/07/08/944700708.db2.gz BDKPGDFMEHEVOY-NNWRFLSQSA-N 2 1 358.526 3.530 20 0 FHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638306261 944700714 /nfs/dbraw/zinc/70/07/14/944700714.db2.gz BDKPGDFMEHEVOY-NNWRFLSQSA-N 2 1 358.526 3.530 20 0 FHADMP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1OC ZINC000506908069 944728060 /nfs/dbraw/zinc/72/80/60/944728060.db2.gz JVGSJRCYGZGRNR-UHFFFAOYSA-N 2 1 352.906 3.665 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506611497 944764514 /nfs/dbraw/zinc/76/45/14/944764514.db2.gz QRDUSAHVPDRDLQ-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506611497 944764522 /nfs/dbraw/zinc/76/45/22/944764522.db2.gz QRDUSAHVPDRDLQ-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506611497 944764529 /nfs/dbraw/zinc/76/45/29/944764529.db2.gz QRDUSAHVPDRDLQ-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506611497 944764537 /nfs/dbraw/zinc/76/45/37/944764537.db2.gz QRDUSAHVPDRDLQ-FDFHNCONSA-N 2 1 374.569 3.630 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(N(CC)CC)s2)CC1 ZINC000506934433 944775463 /nfs/dbraw/zinc/77/54/63/944775463.db2.gz ZWURSQDDHHXOTK-UHFFFAOYSA-N 2 1 352.592 3.933 20 0 FHADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000517918636 944822532 /nfs/dbraw/zinc/82/25/32/944822532.db2.gz RLZNSDAYGLMCAW-UHFFFAOYSA-N 2 1 365.477 3.635 20 0 FHADMP COc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1OC ZINC001167984358 944863264 /nfs/dbraw/zinc/86/32/64/944863264.db2.gz NNBDSGNMYGFNKX-YOFSQIOKSA-N 2 1 358.526 3.584 20 0 FHADMP COc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1OC ZINC001167984358 944863277 /nfs/dbraw/zinc/86/32/77/944863277.db2.gz NNBDSGNMYGFNKX-YOFSQIOKSA-N 2 1 358.526 3.584 20 0 FHADMP COc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167984358 944863283 /nfs/dbraw/zinc/86/32/83/944863283.db2.gz NNBDSGNMYGFNKX-YOFSQIOKSA-N 2 1 358.526 3.584 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000093768794 944887574 /nfs/dbraw/zinc/88/75/74/944887574.db2.gz LUNGURFANGLRSC-OXJNMPFZSA-N 2 1 360.523 3.651 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000093768794 944887578 /nfs/dbraw/zinc/88/75/78/944887578.db2.gz LUNGURFANGLRSC-OXJNMPFZSA-N 2 1 360.523 3.651 20 0 FHADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000505925386 944899514 /nfs/dbraw/zinc/89/95/14/944899514.db2.gz SEQMEZBPWNHIEF-PCCBWWKXSA-N 2 1 363.590 3.610 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000505937925 944943859 /nfs/dbraw/zinc/94/38/59/944943859.db2.gz ZWCTXEGBCULVGT-SJBKTWHCSA-N 2 1 371.569 3.792 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000505937925 944943868 /nfs/dbraw/zinc/94/38/68/944943868.db2.gz ZWCTXEGBCULVGT-SJBKTWHCSA-N 2 1 371.569 3.792 20 0 FHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000426939609 944954043 /nfs/dbraw/zinc/95/40/43/944954043.db2.gz GTWPFCMIHPJJPK-NRFANRHFSA-N 2 1 355.526 3.526 20 0 FHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506339389 944989533 /nfs/dbraw/zinc/98/95/33/944989533.db2.gz JFHCMDHVIAFYMQ-UHFFFAOYSA-N 2 1 374.481 3.533 20 0 FHADMP Clc1ccccc1C[NH+]1CCC(NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414950494 945012673 /nfs/dbraw/zinc/01/26/73/945012673.db2.gz FFACZLDPQUILLD-QFIPXVFZSA-N 2 1 369.940 3.781 20 0 FHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)c1 ZINC000426150275 945026587 /nfs/dbraw/zinc/02/65/87/945026587.db2.gz SQANXJJFGPCGGQ-QGZVFWFLSA-N 2 1 356.510 3.963 20 0 FHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000590654290 945032600 /nfs/dbraw/zinc/03/26/00/945032600.db2.gz GEOJNEOYPICBLS-DWXRJYCRSA-N 2 1 370.562 3.609 20 0 FHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496384 945041512 /nfs/dbraw/zinc/04/15/12/945041512.db2.gz GXFLMYNNCYLCBR-QGZVFWFLSA-N 2 1 354.523 3.887 20 0 FHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496384 945041521 /nfs/dbraw/zinc/04/15/21/945041521.db2.gz GXFLMYNNCYLCBR-QGZVFWFLSA-N 2 1 354.523 3.887 20 0 FHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496384 945041528 /nfs/dbraw/zinc/04/15/28/945041528.db2.gz GXFLMYNNCYLCBR-QGZVFWFLSA-N 2 1 354.523 3.887 20 0 FHADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440276881 945370378 /nfs/dbraw/zinc/37/03/78/945370378.db2.gz ODUWOBPAKWEREP-DENIHFKCSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276881 945370391 /nfs/dbraw/zinc/37/03/91/945370391.db2.gz ODUWOBPAKWEREP-DENIHFKCSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276881 945370403 /nfs/dbraw/zinc/37/04/03/945370403.db2.gz ODUWOBPAKWEREP-DENIHFKCSA-N 2 1 369.553 3.516 20 0 FHADMP CCOc1c(Br)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000469851749 945390366 /nfs/dbraw/zinc/39/03/66/945390366.db2.gz DEHQZQOHHBPENT-OAHLLOKOSA-N 2 1 373.335 3.662 20 0 FHADMP CCOc1c(Br)cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000469851749 945390369 /nfs/dbraw/zinc/39/03/69/945390369.db2.gz DEHQZQOHHBPENT-OAHLLOKOSA-N 2 1 373.335 3.662 20 0 FHADMP Cc1cccc(N2CCC([NH2+]Cc3cnc(-c4ccncc4)s3)CC2)[nH+]1 ZINC000440330444 945411108 /nfs/dbraw/zinc/41/11/08/945411108.db2.gz VCYHTRZLTGMQMX-UHFFFAOYSA-N 2 1 365.506 3.667 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280975164 945485164 /nfs/dbraw/zinc/48/51/64/945485164.db2.gz VSOGLVGYMXMPMJ-GOTSBHOMSA-N 2 1 365.521 3.669 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415043069 945510861 /nfs/dbraw/zinc/51/08/61/945510861.db2.gz ABYACFOGWHKBTN-AVCGJXAMSA-N 2 1 351.538 3.892 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415043071 945511240 /nfs/dbraw/zinc/51/12/40/945511240.db2.gz ABYACFOGWHKBTN-JMUQELJHSA-N 2 1 351.538 3.892 20 0 FHADMP O=C(Nc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1)c1ccc(Cl)cc1 ZINC000415069545 945517902 /nfs/dbraw/zinc/51/79/02/945517902.db2.gz OXJKNLKKRACXKN-UHFFFAOYSA-N 2 1 357.885 3.824 20 0 FHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000120794895 945595436 /nfs/dbraw/zinc/59/54/36/945595436.db2.gz HZQVBACOVRTYDM-QGZVFWFLSA-N 2 1 360.933 3.633 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000120794895 945595444 /nfs/dbraw/zinc/59/54/44/945595444.db2.gz HZQVBACOVRTYDM-QGZVFWFLSA-N 2 1 360.933 3.633 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663672 /nfs/dbraw/zinc/66/36/72/945663672.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663680 /nfs/dbraw/zinc/66/36/80/945663680.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663683 /nfs/dbraw/zinc/66/36/83/945663683.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663686 /nfs/dbraw/zinc/66/36/86/945663686.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663689 /nfs/dbraw/zinc/66/36/89/945663689.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663696 /nfs/dbraw/zinc/66/36/96/945663696.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663699 /nfs/dbraw/zinc/66/36/99/945663699.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663702 /nfs/dbraw/zinc/66/37/02/945663702.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663707 /nfs/dbraw/zinc/66/37/07/945663707.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 2 1 355.570 3.881 20 0 FHADMP C[N@@H+](Cc1cccc(-c2ccc([C@@H]([NH3+])CO)c(C(F)(F)F)c2)c1)C1CC1 ZINC000629708310 945739987 /nfs/dbraw/zinc/73/99/87/945739987.db2.gz DWVXLQXHPWPLPG-IBGZPJMESA-N 2 1 364.411 3.959 20 0 FHADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000469857906 945862831 /nfs/dbraw/zinc/86/28/31/945862831.db2.gz YXRLHEPKOUUHOX-UHFFFAOYSA-N 2 1 365.930 3.793 20 0 FHADMP Clc1ccccc1CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167972790 945888088 /nfs/dbraw/zinc/88/80/88/945888088.db2.gz BQBSEOJUWCHPNA-UDEWTMQYSA-N 2 1 373.972 3.909 20 0 FHADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@H]21 ZINC000301659643 945898867 /nfs/dbraw/zinc/89/88/67/945898867.db2.gz CCJOHLLWRBBZQP-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@H]21 ZINC000301659643 945898880 /nfs/dbraw/zinc/89/88/80/945898880.db2.gz CCJOHLLWRBBZQP-CXAGYDPISA-N 2 1 360.299 3.918 20 0 FHADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH+]3C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167988622 945909352 /nfs/dbraw/zinc/90/93/52/945909352.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167988622 945909360 /nfs/dbraw/zinc/90/93/60/945909360.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167988622 945909362 /nfs/dbraw/zinc/90/93/62/945909362.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167988622 945909367 /nfs/dbraw/zinc/90/93/67/945909367.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167988622 945909370 /nfs/dbraw/zinc/90/93/70/945909370.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167988622 945909376 /nfs/dbraw/zinc/90/93/76/945909376.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167988622 945909383 /nfs/dbraw/zinc/90/93/83/945909383.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 1 365.565 3.741 20 0 FHADMP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(C(F)(F)F)c1 ZINC001167973750 945975522 /nfs/dbraw/zinc/97/55/22/945975522.db2.gz MSFYWEACGKEHOA-MQVJKMGUSA-N 2 1 353.432 3.981 20 0 FHADMP C[C@H](CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056676 946016410 /nfs/dbraw/zinc/01/64/10/946016410.db2.gz LKISGFVMYJJRIA-NJYVYQBISA-N 2 1 374.569 3.803 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000661374474 946041613 /nfs/dbraw/zinc/04/16/13/946041613.db2.gz XLCMYVMFQCTZOM-UHFFFAOYSA-N 2 1 370.368 3.768 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000661374474 946041621 /nfs/dbraw/zinc/04/16/21/946041621.db2.gz XLCMYVMFQCTZOM-UHFFFAOYSA-N 2 1 370.368 3.768 20 0 FHADMP Cc1[nH+]c2ccccc2c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000302156825 946150799 /nfs/dbraw/zinc/15/07/99/946150799.db2.gz NAVGXGQBORXZSA-YOFSQIOKSA-N 2 1 364.537 3.599 20 0 FHADMP Cc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1F ZINC000520206741 946268722 /nfs/dbraw/zinc/26/87/22/946268722.db2.gz HLTIYLLAUWGOMC-JOCHJYFZSA-N 2 1 355.501 3.603 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(N2CCC2=O)c1 ZINC000441239989 946330651 /nfs/dbraw/zinc/33/06/51/946330651.db2.gz WVSPSBJSLBGKHM-UHFFFAOYSA-N 2 1 365.521 3.671 20 0 FHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441239989 946330672 /nfs/dbraw/zinc/33/06/72/946330672.db2.gz WVSPSBJSLBGKHM-UHFFFAOYSA-N 2 1 365.521 3.671 20 0 FHADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441226660 946333399 /nfs/dbraw/zinc/33/33/99/946333399.db2.gz GRVLBMDJDWBSFD-CTNGQTDRSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441226660 946333409 /nfs/dbraw/zinc/33/34/09/946333409.db2.gz GRVLBMDJDWBSFD-CTNGQTDRSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441226660 946333415 /nfs/dbraw/zinc/33/34/15/946333415.db2.gz GRVLBMDJDWBSFD-CTNGQTDRSA-N 2 1 356.510 3.701 20 0 FHADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441226660 946333424 /nfs/dbraw/zinc/33/34/24/946333424.db2.gz GRVLBMDJDWBSFD-CTNGQTDRSA-N 2 1 356.510 3.701 20 0 FHADMP CCC[NH+]1C[C@@H]2C[NH+](C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168056065 946340599 /nfs/dbraw/zinc/34/05/99/946340599.db2.gz BXXQZRHDPYUZFG-SEIRJHJZSA-N 2 1 355.570 3.702 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc2ccccc21 ZINC000441250394 946346243 /nfs/dbraw/zinc/34/62/43/946346243.db2.gz QMFOWGWYRATSPK-LSWJPFSZSA-N 2 1 368.521 3.792 20 0 FHADMP C[C@H]1CC(N2CCC([N@@H+](C)C3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056200 946352338 /nfs/dbraw/zinc/35/23/38/946352338.db2.gz DAQOYHMBUHDLKH-OALUTQOASA-N 2 1 355.570 3.987 20 0 FHADMP c1cncc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCCC2)c1 ZINC000652149789 946381217 /nfs/dbraw/zinc/38/12/17/946381217.db2.gz AVGPNIRLZGFKOO-OAQYLSRUSA-N 2 1 357.542 3.938 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c1C ZINC000104074600 946381925 /nfs/dbraw/zinc/38/19/25/946381925.db2.gz TXCLXZCWWNKGMS-UHFFFAOYSA-N 2 1 371.500 3.943 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c1C ZINC000104074600 946381935 /nfs/dbraw/zinc/38/19/35/946381935.db2.gz TXCLXZCWWNKGMS-UHFFFAOYSA-N 2 1 371.500 3.943 20 0 FHADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652149101 946387064 /nfs/dbraw/zinc/38/70/64/946387064.db2.gz RWJZECLOTSSLMN-WMLDXEAASA-N 2 1 361.486 3.594 20 0 FHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655717468 946389580 /nfs/dbraw/zinc/38/95/80/946389580.db2.gz CYQFTLXITBVTKK-WWNPGLIZSA-N 2 1 372.553 3.696 20 0 FHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000652237718 946507795 /nfs/dbraw/zinc/50/77/95/946507795.db2.gz BCRRKBDIXBITFL-AABGKKOBSA-N 2 1 355.457 3.975 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000652237718 946507800 /nfs/dbraw/zinc/50/78/00/946507800.db2.gz BCRRKBDIXBITFL-AABGKKOBSA-N 2 1 355.457 3.975 20 0 FHADMP Fc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394363 946548669 /nfs/dbraw/zinc/54/86/69/946548669.db2.gz OPCCBLMJGDHMQE-IERDGZPVSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394363 946548680 /nfs/dbraw/zinc/54/86/80/946548680.db2.gz OPCCBLMJGDHMQE-IERDGZPVSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394363 946548689 /nfs/dbraw/zinc/54/86/89/946548689.db2.gz OPCCBLMJGDHMQE-IERDGZPVSA-N 2 1 355.457 3.929 20 0 FHADMP Fc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394363 946548698 /nfs/dbraw/zinc/54/86/98/946548698.db2.gz OPCCBLMJGDHMQE-IERDGZPVSA-N 2 1 355.457 3.929 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058136 946592427 /nfs/dbraw/zinc/59/24/27/946592427.db2.gz BDDFJRJLZMBBMU-RMFSNUHRSA-N 2 1 365.521 3.629 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058136 946592434 /nfs/dbraw/zinc/59/24/34/946592434.db2.gz BDDFJRJLZMBBMU-RMFSNUHRSA-N 2 1 365.521 3.629 20 0 FHADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000475197197 946703790 /nfs/dbraw/zinc/70/37/90/946703790.db2.gz XMEWOVDZCSSNGU-BRWVUGGUSA-N 2 1 361.555 3.879 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284932 946823142 /nfs/dbraw/zinc/82/31/42/946823142.db2.gz KTMSXHYHCJRXAK-RDJZCZTQSA-N 2 1 355.448 3.601 20 0 FHADMP CC(C)c1noc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994727 946889923 /nfs/dbraw/zinc/88/99/23/946889923.db2.gz MHOIGGZZKYYSKN-HTUJPFKRSA-N 2 1 358.530 3.778 20 0 FHADMP CC(C)c1noc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001167994727 946889927 /nfs/dbraw/zinc/88/99/27/946889927.db2.gz MHOIGGZZKYYSKN-HTUJPFKRSA-N 2 1 358.530 3.778 20 0 FHADMP CC(C)c1noc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001167994727 946889938 /nfs/dbraw/zinc/88/99/38/946889938.db2.gz MHOIGGZZKYYSKN-HTUJPFKRSA-N 2 1 358.530 3.778 20 0 FHADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348335 946891942 /nfs/dbraw/zinc/89/19/42/946891942.db2.gz AKINCVYAMWZISW-DWLFOUALSA-N 2 1 374.569 3.971 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348536 946892705 /nfs/dbraw/zinc/89/27/05/946892705.db2.gz HQQRIDZPYZRVBP-FDQGKXFDSA-N 2 1 373.324 3.591 20 0 FHADMP CCOCC[NH+](CCOCC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168061479 946917781 /nfs/dbraw/zinc/91/77/81/946917781.db2.gz INLHGGWVAYXIDT-WOJBJXKFSA-N 2 1 362.558 3.803 20 0 FHADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652361149 946929493 /nfs/dbraw/zinc/92/94/93/946929493.db2.gz YXGXYJYDPNQAAT-HMXCVIKNSA-N 2 1 358.526 3.675 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000444610436 947036497 /nfs/dbraw/zinc/03/64/97/947036497.db2.gz PIABOXLKPHOIBL-FQEVSTJZSA-N 2 1 355.551 3.627 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000444598513 947045776 /nfs/dbraw/zinc/04/57/76/947045776.db2.gz QSRZXLPFMBIZRL-QHCPKHFHSA-N 2 1 355.570 3.851 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995895 947065147 /nfs/dbraw/zinc/06/51/47/947065147.db2.gz UWHYIHDOGOUOBT-QUFMSWDXSA-N 2 1 353.554 3.598 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995895 947065160 /nfs/dbraw/zinc/06/51/60/947065160.db2.gz UWHYIHDOGOUOBT-QUFMSWDXSA-N 2 1 353.554 3.598 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995895 947065173 /nfs/dbraw/zinc/06/51/73/947065173.db2.gz UWHYIHDOGOUOBT-QUFMSWDXSA-N 2 1 353.554 3.598 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000665629429 947093933 /nfs/dbraw/zinc/09/39/33/947093933.db2.gz KCEFKCJPCGNXKO-MRXNPFEDSA-N 2 1 357.502 3.517 20 0 FHADMP CCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000665630028 947103284 /nfs/dbraw/zinc/10/32/84/947103284.db2.gz WAVHVAOCNANACM-IBGZPJMESA-N 2 1 369.513 3.613 20 0 FHADMP CCN(C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000665630028 947103287 /nfs/dbraw/zinc/10/32/87/947103287.db2.gz WAVHVAOCNANACM-IBGZPJMESA-N 2 1 369.513 3.613 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3ccncc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065677 947181706 /nfs/dbraw/zinc/18/17/06/947181706.db2.gz XLCIHCBXVNBMTD-QRICJDHISA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3ccncc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065677 947181710 /nfs/dbraw/zinc/18/17/10/947181710.db2.gz XLCIHCBXVNBMTD-QRICJDHISA-N 2 1 365.521 3.976 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccncc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065677 947181715 /nfs/dbraw/zinc/18/17/15/947181715.db2.gz XLCIHCBXVNBMTD-QRICJDHISA-N 2 1 365.521 3.976 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](C3CC3)[NH+](C)C)c2c1C ZINC000301192573 947225267 /nfs/dbraw/zinc/22/52/67/947225267.db2.gz MVUPDFJZNDYIFL-MRXNPFEDSA-N 2 1 373.570 3.656 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(Br)ccc2O)C1 ZINC000248581955 947293830 /nfs/dbraw/zinc/29/38/30/947293830.db2.gz WGAJTSKVTOBJKF-XJKSGUPXSA-N 2 1 355.320 3.927 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C(C)(C)C(N)=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065907 947316144 /nfs/dbraw/zinc/31/61/44/947316144.db2.gz YZWNJKSRBOHTJL-RMFSNUHRSA-N 2 1 371.569 3.652 20 0 FHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000250134823 947337499 /nfs/dbraw/zinc/33/74/99/947337499.db2.gz XXRVTBGNSSDGMY-KGLIPLIRSA-N 2 1 355.320 3.846 20 0 FHADMP COc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188775039 947516984 /nfs/dbraw/zinc/51/69/84/947516984.db2.gz UKGMXOKGKZDICW-BVPXEZJJSA-N 2 1 351.494 3.651 20 0 FHADMP COc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188775039 947516995 /nfs/dbraw/zinc/51/69/95/947516995.db2.gz UKGMXOKGKZDICW-BVPXEZJJSA-N 2 1 351.494 3.651 20 0 FHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000523851057 947652096 /nfs/dbraw/zinc/65/20/96/947652096.db2.gz IYLODJHQPHZYJF-XJKSGUPXSA-N 2 1 373.463 3.988 20 0 FHADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000523851488 947652377 /nfs/dbraw/zinc/65/23/77/947652377.db2.gz SRHYVYZVSYGNEQ-RHSMWYFYSA-N 2 1 353.938 3.931 20 0 FHADMP Fc1ccc(Cn2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)cc1 ZINC000189266081 947683048 /nfs/dbraw/zinc/68/30/48/947683048.db2.gz OBMJXBXLJCMGSG-UHFFFAOYSA-N 2 1 370.516 3.957 20 0 FHADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258627 947685768 /nfs/dbraw/zinc/68/57/68/947685768.db2.gz WEFLHAAXLXUQBM-FQEVSTJZSA-N 2 1 369.509 3.507 20 0 FHADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291711 947713788 /nfs/dbraw/zinc/71/37/88/947713788.db2.gz XWUKVEJQZOWOPR-ZFWWWQNUSA-N 2 1 367.896 3.518 20 0 FHADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295223 947716082 /nfs/dbraw/zinc/71/60/82/947716082.db2.gz GCMOZBQEYRORSF-SJLPKXTDSA-N 2 1 354.498 3.818 20 0 FHADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1F ZINC000662295226 947716799 /nfs/dbraw/zinc/71/67/99/947716799.db2.gz UKJCKSCBHYKVSW-INIZCTEOSA-N 2 1 361.436 3.831 20 0 FHADMP c1ccc(-n2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c3c2CCC3)cc1 ZINC000662295963 947720953 /nfs/dbraw/zinc/72/09/53/947720953.db2.gz JLDDWKBFRXYLNC-IBGZPJMESA-N 2 1 364.537 3.573 20 0 FHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662299067 947721178 /nfs/dbraw/zinc/72/11/78/947721178.db2.gz ZKAGBSJAWQTJBT-SFHVURJKSA-N 2 1 355.482 3.562 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306293 947732651 /nfs/dbraw/zinc/73/26/51/947732651.db2.gz QDTNRGDHTKDJIJ-FXAWDEMLSA-N 2 1 358.457 3.722 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(C[C@@H]2c2nnc(C(C)C)o2)CC1 ZINC000367208617 947743129 /nfs/dbraw/zinc/74/31/29/947743129.db2.gz KFIJOOFOKCBVGA-QGZVFWFLSA-N 2 1 357.502 3.748 20 0 FHADMP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324342 947750803 /nfs/dbraw/zinc/75/08/03/947750803.db2.gz VLTGHVDQDDGPCR-YJBOKZPZSA-N 2 1 358.448 3.852 20 0 FHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OCC(F)(F)F ZINC000663345204 947808412 /nfs/dbraw/zinc/80/84/12/947808412.db2.gz GZKAAALANMRYFN-MRXNPFEDSA-N 2 1 374.422 3.978 20 0 FHADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OCC(F)(F)F ZINC000663345204 947808416 /nfs/dbraw/zinc/80/84/16/947808416.db2.gz GZKAAALANMRYFN-MRXNPFEDSA-N 2 1 374.422 3.978 20 0 FHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Br ZINC000663346634 947816132 /nfs/dbraw/zinc/81/61/32/947816132.db2.gz BKXCWWSAGBFCBO-MRXNPFEDSA-N 2 1 367.331 3.669 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C[C@H](C)O1 ZINC000663384366 947903147 /nfs/dbraw/zinc/90/31/47/947903147.db2.gz IHYZXRVOISZWNI-IYBDPMFKSA-N 2 1 350.466 3.784 20 0 FHADMP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925770630 947941318 /nfs/dbraw/zinc/94/13/18/947941318.db2.gz JQCHPWDLCNIDFT-WAGURGNTSA-N 2 1 352.453 3.858 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000511978008 947972916 /nfs/dbraw/zinc/97/29/16/947972916.db2.gz ROLANFLVRBBGBV-LJQANCHMSA-N 2 1 359.558 3.769 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675951 947973811 /nfs/dbraw/zinc/97/38/11/947973811.db2.gz RHTIVPDGZILVMD-XOBRGWDASA-N 2 1 373.447 3.978 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675951 947973819 /nfs/dbraw/zinc/97/38/19/947973819.db2.gz RHTIVPDGZILVMD-XOBRGWDASA-N 2 1 373.447 3.978 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2)C1 ZINC000662675621 947974337 /nfs/dbraw/zinc/97/43/37/947974337.db2.gz NUCYRNIZNDFCKW-KRWDZBQOSA-N 2 1 363.505 3.817 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119277 /nfs/dbraw/zinc/11/92/77/948119277.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 2 1 363.594 3.610 20 0 FHADMP CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCC[NH+](CC)CC ZINC001167827835 948159908 /nfs/dbraw/zinc/15/99/08/948159908.db2.gz YEATZWJBXPIEHX-GOSISDBHSA-N 2 1 364.530 3.571 20 0 FHADMP CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)CCC[NH+](CC)CC ZINC001167827835 948159911 /nfs/dbraw/zinc/15/99/11/948159911.db2.gz YEATZWJBXPIEHX-GOSISDBHSA-N 2 1 364.530 3.571 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000432353030 948200800 /nfs/dbraw/zinc/20/08/00/948200800.db2.gz HAKVSARWGYPGTN-FQEVSTJZSA-N 2 1 368.521 3.856 20 0 FHADMP CN(C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001168002130 948219845 /nfs/dbraw/zinc/21/98/45/948219845.db2.gz NAKFSBZXISZXJH-VDXGAUASSA-N 2 1 367.581 3.988 20 0 FHADMP CN(C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001168002130 948219852 /nfs/dbraw/zinc/21/98/52/948219852.db2.gz NAKFSBZXISZXJH-VDXGAUASSA-N 2 1 367.581 3.988 20 0 FHADMP CN(C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001168002130 948219860 /nfs/dbraw/zinc/21/98/60/948219860.db2.gz NAKFSBZXISZXJH-VDXGAUASSA-N 2 1 367.581 3.988 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833702 948232020 /nfs/dbraw/zinc/23/20/20/948232020.db2.gz DKSZSKFDQABXPD-QZTJIDSGSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001167833710 948232209 /nfs/dbraw/zinc/23/22/09/948232209.db2.gz DIOOFQVKEHVFDK-FXAWDEMLSA-N 2 1 363.521 3.530 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001167835722 948298927 /nfs/dbraw/zinc/29/89/27/948298927.db2.gz UELBIOHLROQVRL-QZTJIDSGSA-N 2 1 355.567 3.828 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1F ZINC000278957648 948336608 /nfs/dbraw/zinc/33/66/08/948336608.db2.gz MDTDTZAXCOVHGF-NEPJUHHUSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410922 948357337 /nfs/dbraw/zinc/35/73/37/948357337.db2.gz SYEGPEIYXLVLEH-MOPGFXCFSA-N 2 1 353.510 3.900 20 0 FHADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410922 948357341 /nfs/dbraw/zinc/35/73/41/948357341.db2.gz SYEGPEIYXLVLEH-MOPGFXCFSA-N 2 1 353.510 3.900 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001167841694 948365873 /nfs/dbraw/zinc/36/58/73/948365873.db2.gz PBLZRJQYSHMWOX-OTWHNJEPSA-N 2 1 367.578 3.828 20 0 FHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419202 948374015 /nfs/dbraw/zinc/37/40/15/948374015.db2.gz ZWEPRAYLXHUVBH-LPHOPBHVSA-N 2 1 364.555 3.713 20 0 FHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419958 948380331 /nfs/dbraw/zinc/38/03/31/948380331.db2.gz HKMXAQZSMJSVSS-HZPDHXFCSA-N 2 1 354.922 3.890 20 0 FHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419958 948380338 /nfs/dbraw/zinc/38/03/38/948380338.db2.gz HKMXAQZSMJSVSS-HZPDHXFCSA-N 2 1 354.922 3.890 20 0 FHADMP COc1ccccc1C1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000512083859 948383455 /nfs/dbraw/zinc/38/34/55/948383455.db2.gz MDGGMZNAHBMJGN-UHFFFAOYSA-N 2 1 359.539 3.815 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(Br)c1 ZINC000278999265 948386976 /nfs/dbraw/zinc/38/69/76/948386976.db2.gz RCJARJVVVFRAHF-VXGBXAGGSA-N 2 1 352.251 3.698 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1Br ZINC000279010152 948394926 /nfs/dbraw/zinc/39/49/26/948394926.db2.gz STKARCWDJNODHN-NWDGAFQWSA-N 2 1 352.251 3.698 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427534 948397596 /nfs/dbraw/zinc/39/75/96/948397596.db2.gz ZFTFBEWMFWJGEF-QAPCUYQASA-N 2 1 356.457 3.830 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842954 948398600 /nfs/dbraw/zinc/39/86/00/948398600.db2.gz ZYLMYIQSVYXGNB-QZTJIDSGSA-N 2 1 355.567 3.686 20 0 FHADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512108299 948439893 /nfs/dbraw/zinc/43/98/93/948439893.db2.gz VDNNCFJXBBBISD-HSALFYBXSA-N 2 1 371.569 3.940 20 0 FHADMP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168005097 948455372 /nfs/dbraw/zinc/45/53/72/948455372.db2.gz FSJWLFGFBDZRLQ-RMFSNUHRSA-N 2 1 353.510 3.664 20 0 FHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129200 948504470 /nfs/dbraw/zinc/50/44/70/948504470.db2.gz JIFDFDKXIHGDPV-SVEBXFOSSA-N 2 1 372.459 3.989 20 0 FHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)c2)CCO1 ZINC000512129200 948504474 /nfs/dbraw/zinc/50/44/74/948504474.db2.gz JIFDFDKXIHGDPV-SVEBXFOSSA-N 2 1 372.459 3.989 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000193608152 948505095 /nfs/dbraw/zinc/50/50/95/948505095.db2.gz YLBUNHNWUODPHK-UHFFFAOYSA-N 2 1 369.513 3.613 20 0 FHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799091 948600112 /nfs/dbraw/zinc/60/01/12/948600112.db2.gz XBBGTGDQBCZTLS-YLJYHZDGSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C1 ZINC000507799091 948600117 /nfs/dbraw/zinc/60/01/17/948600117.db2.gz XBBGTGDQBCZTLS-YLJYHZDGSA-N 2 1 358.505 3.750 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(F)cc43)c2)CCO1 ZINC000247201918 948665890 /nfs/dbraw/zinc/66/58/90/948665890.db2.gz WILYAGWRHGNCDP-ZHRRBRCNSA-N 2 1 354.469 3.824 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(F)cc43)c2)CCO1 ZINC000247201918 948665895 /nfs/dbraw/zinc/66/58/95/948665895.db2.gz WILYAGWRHGNCDP-ZHRRBRCNSA-N 2 1 354.469 3.824 20 0 FHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000544710079 948701271 /nfs/dbraw/zinc/70/12/71/948701271.db2.gz RUCDOYZXDFWCDY-GFCCVEGCSA-N 2 1 366.278 3.770 20 0 FHADMP CC(C)(C)OC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536485229 948730704 /nfs/dbraw/zinc/73/07/04/948730704.db2.gz JRUFQIPCWNVWKC-UHFFFAOYSA-N 2 1 358.526 3.706 20 0 FHADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484728 948732209 /nfs/dbraw/zinc/73/22/09/948732209.db2.gz CYJRYGWBBLYNKY-IBGZPJMESA-N 2 1 371.569 3.668 20 0 FHADMP COCc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)cc1 ZINC000275707787 522974342 /nfs/dbraw/zinc/97/43/42/522974342.db2.gz NPTULYVORQHDLN-JOCHJYFZSA-N 2 1 353.510 3.715 20 0 FHADMP COCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)cc1 ZINC000275707787 522974347 /nfs/dbraw/zinc/97/43/47/522974347.db2.gz NPTULYVORQHDLN-JOCHJYFZSA-N 2 1 353.510 3.715 20 0 FHADMP COCc1ccc(C[NH+]2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707787 522974354 /nfs/dbraw/zinc/97/43/54/522974354.db2.gz NPTULYVORQHDLN-JOCHJYFZSA-N 2 1 353.510 3.715 20 0 FHADMP COCc1ccc(C[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707787 522974360 /nfs/dbraw/zinc/97/43/60/522974360.db2.gz NPTULYVORQHDLN-JOCHJYFZSA-N 2 1 353.510 3.715 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)cs1 ZINC000161753646 567965931 /nfs/dbraw/zinc/96/59/31/567965931.db2.gz ZTLXOAAVWHDXJM-HNNXBMFYSA-N 2 1 361.559 3.792 20 0 FHADMP CSC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667612 568014174 /nfs/dbraw/zinc/01/41/74/568014174.db2.gz QTFZORFPQHEUCS-PZJWPPBQSA-N 3 1 373.610 3.772 20 0 FHADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667612 568014175 /nfs/dbraw/zinc/01/41/75/568014175.db2.gz QTFZORFPQHEUCS-PZJWPPBQSA-N 3 1 373.610 3.772 20 0 FHADMP CC[NH+](CC)[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303238641 568261945 /nfs/dbraw/zinc/26/19/45/568261945.db2.gz HXQAFSDDONQOKR-VWPQPMDRSA-N 2 1 373.585 3.944 20 0 FHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000604774160 568363909 /nfs/dbraw/zinc/36/39/09/568363909.db2.gz AVGGQNLBDLMKCO-CJNGLKHVSA-N 2 1 373.463 3.988 20 0 FHADMP CC[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000606182858 568697349 /nfs/dbraw/zinc/69/73/49/568697349.db2.gz ZAWCTCVGKORVJC-SFHVURJKSA-N 2 1 366.509 3.664 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cc(N5CCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001164630895 719087820 /nfs/dbraw/zinc/08/78/20/719087820.db2.gz XHKCIENNSIHBJK-RBBKRZOGSA-N 2 1 362.521 3.783 20 0 FHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1 ZINC001164620024 719124291 /nfs/dbraw/zinc/12/42/91/719124291.db2.gz GMVJDAWMUOXJSO-CEXWTWQISA-N 2 1 360.521 3.532 20 0 FHADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3cccc(Cl)c32)c2c1CC[NH2+]C2 ZINC001164682227 719625058 /nfs/dbraw/zinc/62/50/58/719625058.db2.gz MBVQJPCXKURUJY-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3cccc(Cl)c32)c2c1CC[NH2+]C2 ZINC001164682227 719625065 /nfs/dbraw/zinc/62/50/65/719625065.db2.gz MBVQJPCXKURUJY-UHFFFAOYSA-N 2 1 369.900 3.560 20 0 FHADMP Cc1cc(C)[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836999 720660475 /nfs/dbraw/zinc/66/04/75/720660475.db2.gz APSVLZZNDFSXTJ-OAQYLSRUSA-N 2 1 365.521 3.958 20 0 FHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164791661 721490558 /nfs/dbraw/zinc/49/05/58/721490558.db2.gz DKKRZYWLBKZOGI-UHFFFAOYSA-N 2 1 361.493 3.839 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]21 ZINC001165027186 721803193 /nfs/dbraw/zinc/80/31/93/721803193.db2.gz UDDKZBSJGHKPAS-YFVAEKQCSA-N 2 1 361.493 3.695 20 0 FHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)cc(C)[nH+]4)CC3)C2)cc1 ZINC001164939954 721921011 /nfs/dbraw/zinc/92/10/11/721921011.db2.gz XCMUEBQSUZSSIA-UHFFFAOYSA-N 2 1 365.521 3.878 20 0 FHADMP CCOc1cc[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995277 722198843 /nfs/dbraw/zinc/19/88/43/722198843.db2.gz TWAXQARCFSFOBK-OAQYLSRUSA-N 2 1 355.457 3.864 20 0 FHADMP CCOc1cc[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995277 722198844 /nfs/dbraw/zinc/19/88/44/722198844.db2.gz TWAXQARCFSFOBK-OAQYLSRUSA-N 2 1 355.457 3.864 20 0 FHADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCC2 ZINC000162271102 936370510 /nfs/dbraw/zinc/37/05/10/936370510.db2.gz XKGUJJBDFZVUAO-INIZCTEOSA-N 2 1 371.554 3.748 20 0 FHADMP C[C@H](CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@@H+](C)Cc1ccccc1 ZINC000583075855 937097699 /nfs/dbraw/zinc/09/76/99/937097699.db2.gz DYHRBLDNZBUDPQ-MOPGFXCFSA-N 2 1 363.509 3.829 20 0 FHADMP C[C@@H]([NH2+]C1(C[NH2+]C2CCC3(CC2)OCCO3)CCCC1)c1ccccc1 ZINC000161531764 937128850 /nfs/dbraw/zinc/12/88/50/937128850.db2.gz LXSIOWBVDHKYDH-GOSISDBHSA-N 2 1 358.526 3.925 20 0 FHADMP Cc1nc2ccccn2c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579696213 927111305 /nfs/dbraw/zinc/11/13/05/927111305.db2.gz HLQHYCGGEODTPC-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579696213 927111315 /nfs/dbraw/zinc/11/13/15/927111315.db2.gz HLQHYCGGEODTPC-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579696213 927111325 /nfs/dbraw/zinc/11/13/25/927111325.db2.gz HLQHYCGGEODTPC-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP Cc1nc2ccccn2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579696213 927111334 /nfs/dbraw/zinc/11/13/34/927111334.db2.gz HLQHYCGGEODTPC-NHCUHLMSSA-N 2 1 360.505 3.597 20 0 FHADMP COc1nc2ccc(NC(=[NH2+])SCC[NH3+])cc2cc1Cc1ccccc1 ZINC001167912388 927115064 /nfs/dbraw/zinc/11/50/64/927115064.db2.gz NXISMRILPFIJQO-UHFFFAOYSA-N 2 1 366.490 3.873 20 0 FHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147197 927316362 /nfs/dbraw/zinc/31/63/62/927316362.db2.gz KMWDUYGHVMDDQG-GOSISDBHSA-N 2 1 364.415 3.623 20 0 FHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147197 927316366 /nfs/dbraw/zinc/31/63/66/927316366.db2.gz KMWDUYGHVMDDQG-GOSISDBHSA-N 2 1 364.415 3.623 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147197 927316377 /nfs/dbraw/zinc/31/63/77/927316377.db2.gz KMWDUYGHVMDDQG-GOSISDBHSA-N 2 1 364.415 3.623 20 0 FHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147197 927316383 /nfs/dbraw/zinc/31/63/83/927316383.db2.gz KMWDUYGHVMDDQG-GOSISDBHSA-N 2 1 364.415 3.623 20 0 FHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1c(Cl)cccc1Cl ZINC000150763371 937151839 /nfs/dbraw/zinc/15/18/39/937151839.db2.gz SCYWBBXVCUNBCH-AWEZNQCLSA-N 2 1 370.324 3.740 20 0 FHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530463465 927569763 /nfs/dbraw/zinc/56/97/63/927569763.db2.gz BJFYGJYLPMVWIR-SVFBPWRDSA-N 2 1 364.574 3.690 20 0 FHADMP CCc1nn(C)c(CC)c1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000535943972 937174571 /nfs/dbraw/zinc/17/45/71/937174571.db2.gz ULWPNSREHRUNIK-ICSRJNTNSA-N 2 1 368.569 3.935 20 0 FHADMP c1cn(-c2[nH+]ccc3c2ccn3Cc2ccccc2)c([C@H]2CCC[NH2+]C2)n1 ZINC001167057007 927653337 /nfs/dbraw/zinc/65/33/37/927653337.db2.gz RZSKZUOZLSKCMN-SFHVURJKSA-N 2 1 357.461 3.737 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510078996 927797411 /nfs/dbraw/zinc/79/74/11/927797411.db2.gz NNOZEIINWGZDDW-HSZRJFAPSA-N 2 1 357.586 3.846 20 0 FHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001203409456 937196086 /nfs/dbraw/zinc/19/60/86/937196086.db2.gz YSXRBKMBEXVBFS-IBGZPJMESA-N 2 1 365.562 3.773 20 0 FHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001203409456 937196090 /nfs/dbraw/zinc/19/60/90/937196090.db2.gz YSXRBKMBEXVBFS-IBGZPJMESA-N 2 1 365.562 3.773 20 0 FHADMP CC(C)(C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000683205370 928086995 /nfs/dbraw/zinc/08/69/95/928086995.db2.gz POMTYGIYPREHIR-JOCHJYFZSA-N 2 1 352.522 3.845 20 0 FHADMP CC(C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000683205370 928087010 /nfs/dbraw/zinc/08/70/10/928087010.db2.gz POMTYGIYPREHIR-JOCHJYFZSA-N 2 1 352.522 3.845 20 0 FHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000120056150 928209523 /nfs/dbraw/zinc/20/95/23/928209523.db2.gz BTEBDRLDNDZLCG-IYBDPMFKSA-N 2 1 365.587 3.762 20 0 FHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000120056150 928209533 /nfs/dbraw/zinc/20/95/33/928209533.db2.gz BTEBDRLDNDZLCG-IYBDPMFKSA-N 2 1 365.587 3.762 20 0 FHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000154468354 928844707 /nfs/dbraw/zinc/84/47/07/928844707.db2.gz UISYQZABPLNZES-INIZCTEOSA-N 2 1 368.363 3.517 20 0 FHADMP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274901775 929008909 /nfs/dbraw/zinc/00/89/09/929008909.db2.gz LKALYWICMLYAOE-PGRDOPGGSA-N 2 1 365.521 3.688 20 0 FHADMP Cc1nccn1CCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430272531 929077319 /nfs/dbraw/zinc/07/73/19/929077319.db2.gz XZWUWKHRPOLOEJ-UHFFFAOYSA-N 2 1 357.889 3.671 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430272531 929077350 /nfs/dbraw/zinc/07/73/50/929077350.db2.gz XZWUWKHRPOLOEJ-UHFFFAOYSA-N 2 1 357.889 3.671 20 0 FHADMP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274978095 929095856 /nfs/dbraw/zinc/09/58/56/929095856.db2.gz YYKBHOAFCWHVGH-WWPVKYPJSA-N 2 1 352.522 3.653 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000180312854 929457950 /nfs/dbraw/zinc/45/79/50/929457950.db2.gz CZARLMXHHUYSHE-CEXWTWQISA-N 2 1 369.553 3.813 20 0 FHADMP COc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657750137 937339659 /nfs/dbraw/zinc/33/96/59/937339659.db2.gz BAAGMUFBEFCXHA-NRFANRHFSA-N 2 1 366.505 3.705 20 0 FHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000275653889 929727815 /nfs/dbraw/zinc/72/78/15/929727815.db2.gz NDBPXJSXUSTSMZ-OAQYLSRUSA-N 2 1 365.521 3.641 20 0 FHADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691389 929808208 /nfs/dbraw/zinc/80/82/08/929808208.db2.gz CCGXLKLCEAIWMP-JLLPCOHGSA-N 2 1 364.533 3.765 20 0 FHADMP O[C@@H](CCOCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167326817 929859822 /nfs/dbraw/zinc/85/98/22/929859822.db2.gz SOTGATHEGQJECT-GOTSBHOMSA-N 2 1 374.569 3.542 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000683722891 929924316 /nfs/dbraw/zinc/92/43/16/929924316.db2.gz LMSDAPLTPROWRU-ZPMCFJSWSA-N 2 1 350.506 3.892 20 0 FHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000683722891 929924317 /nfs/dbraw/zinc/92/43/17/929924317.db2.gz LMSDAPLTPROWRU-ZPMCFJSWSA-N 2 1 350.506 3.892 20 0 FHADMP CC(C)c1oc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000583383959 937391629 /nfs/dbraw/zinc/39/16/29/937391629.db2.gz ABEZHADNCHLLNT-IBGZPJMESA-N 2 1 368.525 3.507 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000382352529 930528984 /nfs/dbraw/zinc/52/89/84/930528984.db2.gz JXIMNTPUDALUJY-NRFANRHFSA-N 2 1 372.582 3.991 20 0 FHADMP CCN(CC)c1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000382352529 930528987 /nfs/dbraw/zinc/52/89/87/930528987.db2.gz JXIMNTPUDALUJY-NRFANRHFSA-N 2 1 372.582 3.991 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000683928105 930640594 /nfs/dbraw/zinc/64/05/94/930640594.db2.gz VGSIRTHWEGLEFV-UHFFFAOYSA-N 2 1 362.521 3.595 20 0 FHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C[C@@H]1c1ccccc1 ZINC000580414396 930653092 /nfs/dbraw/zinc/65/30/92/930653092.db2.gz SFDQDNPKRIFZJB-WOJBJXKFSA-N 2 1 352.478 3.773 20 0 FHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C[C@@H]1c1ccccc1 ZINC000580414396 930653094 /nfs/dbraw/zinc/65/30/94/930653094.db2.gz SFDQDNPKRIFZJB-WOJBJXKFSA-N 2 1 352.478 3.773 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000047910119 930672577 /nfs/dbraw/zinc/67/25/77/930672577.db2.gz MYEFIZGNFBBWCL-UHFFFAOYSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434446 931142378 /nfs/dbraw/zinc/14/23/78/931142378.db2.gz VUOPYYXOTMNRPI-AAIMPIBUSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001167434446 931142381 /nfs/dbraw/zinc/14/23/81/931142381.db2.gz VUOPYYXOTMNRPI-AAIMPIBUSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001167434446 931142385 /nfs/dbraw/zinc/14/23/85/931142385.db2.gz VUOPYYXOTMNRPI-AAIMPIBUSA-N 2 1 368.496 3.641 20 0 FHADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001167434446 931142386 /nfs/dbraw/zinc/14/23/86/931142386.db2.gz VUOPYYXOTMNRPI-AAIMPIBUSA-N 2 1 368.496 3.641 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801763 931165879 /nfs/dbraw/zinc/16/58/79/931165879.db2.gz WYSDEHUNVQQQMR-UONOGXRCSA-N 2 1 357.311 3.839 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581101195 931565537 /nfs/dbraw/zinc/56/55/37/931565537.db2.gz WSTRPHHLNHOKBA-DHIUTWEWSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581101195 931565543 /nfs/dbraw/zinc/56/55/43/931565543.db2.gz WSTRPHHLNHOKBA-DHIUTWEWSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581101195 931565550 /nfs/dbraw/zinc/56/55/50/931565550.db2.gz WSTRPHHLNHOKBA-DHIUTWEWSA-N 2 1 372.516 3.826 20 0 FHADMP c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581101195 931565556 /nfs/dbraw/zinc/56/55/56/931565556.db2.gz WSTRPHHLNHOKBA-DHIUTWEWSA-N 2 1 372.516 3.826 20 0 FHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000581103263 931568968 /nfs/dbraw/zinc/56/89/68/931568968.db2.gz NHJHTFAFMSGWPU-WJMWBRGCSA-N 2 1 364.574 3.569 20 0 FHADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000581103263 931568969 /nfs/dbraw/zinc/56/89/69/931568969.db2.gz NHJHTFAFMSGWPU-WJMWBRGCSA-N 2 1 364.574 3.569 20 0 FHADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@H]3C[N@@H+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404506 931593851 /nfs/dbraw/zinc/59/38/51/931593851.db2.gz ZMTGICAUYSFDFN-CDNNERCOSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4CC[C@H]3[C@H]3C[NH+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404506 931593860 /nfs/dbraw/zinc/59/38/60/931593860.db2.gz ZMTGICAUYSFDFN-CDNNERCOSA-N 2 1 372.516 3.905 20 0 FHADMP c1[nH]nc2cc(C[N@@H+]3C[C@@H]4CC[C@H]3[C@H]3C[NH+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404506 931593864 /nfs/dbraw/zinc/59/38/64/931593864.db2.gz ZMTGICAUYSFDFN-CDNNERCOSA-N 2 1 372.516 3.905 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCC[NH+]2CCCCC2)cc1 ZINC000656407902 931598127 /nfs/dbraw/zinc/59/81/27/931598127.db2.gz UQJYNTWNWFZMSF-KEZOAJOQSA-N 2 1 367.581 3.705 20 0 FHADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190173 931651481 /nfs/dbraw/zinc/65/14/81/931651481.db2.gz KMIAMNPBIBCODM-FPOVZHCZSA-N 2 1 356.554 3.962 20 0 FHADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190173 931651488 /nfs/dbraw/zinc/65/14/88/931651488.db2.gz KMIAMNPBIBCODM-FPOVZHCZSA-N 2 1 356.554 3.962 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190175 931651681 /nfs/dbraw/zinc/65/16/81/931651681.db2.gz KMIAMNPBIBCODM-TZIWHRDSSA-N 2 1 356.554 3.962 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000581190175 931651683 /nfs/dbraw/zinc/65/16/83/931651683.db2.gz KMIAMNPBIBCODM-TZIWHRDSSA-N 2 1 356.554 3.962 20 0 FHADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC000089728035 931666298 /nfs/dbraw/zinc/66/62/98/931666298.db2.gz QVCITSDBXPLZPO-YLJYHZDGSA-N 2 1 354.494 3.586 20 0 FHADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC000089728035 931666304 /nfs/dbraw/zinc/66/63/04/931666304.db2.gz QVCITSDBXPLZPO-YLJYHZDGSA-N 2 1 354.494 3.586 20 0 FHADMP COCCNc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155306 931709266 /nfs/dbraw/zinc/70/92/66/931709266.db2.gz RRYNRDDFCYMGHF-SIKLNZKXSA-N 2 1 367.537 3.745 20 0 FHADMP C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156336 931729402 /nfs/dbraw/zinc/72/94/02/931729402.db2.gz IOFONQSDDWWNLY-REWPJTCUSA-N 2 1 374.532 3.915 20 0 FHADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430565514 931885069 /nfs/dbraw/zinc/88/50/69/931885069.db2.gz AOXZQZSHHUMGFV-OAQYLSRUSA-N 2 1 355.482 3.771 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000581360950 931893376 /nfs/dbraw/zinc/89/33/76/931893376.db2.gz QXAGAJNUHPLOTQ-DAYGRLMNSA-N 2 1 369.937 3.531 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000581360950 931893378 /nfs/dbraw/zinc/89/33/78/931893378.db2.gz QXAGAJNUHPLOTQ-DAYGRLMNSA-N 2 1 369.937 3.531 20 0 FHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000430570604 931903250 /nfs/dbraw/zinc/90/32/50/931903250.db2.gz ZGXVVJAXHMUPEA-UHFFFAOYSA-N 2 1 365.521 3.537 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574046 931924468 /nfs/dbraw/zinc/92/44/68/931924468.db2.gz SDACETHMSDYEPL-QZTJIDSGSA-N 2 1 367.493 3.867 20 0 FHADMP Cc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000430578271 931940802 /nfs/dbraw/zinc/94/08/02/931940802.db2.gz WGQHBGTWJPWHGZ-UHFFFAOYSA-N 2 1 363.889 3.633 20 0 FHADMP CC(C)[C@@](C)(CN)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583047 931950758 /nfs/dbraw/zinc/95/07/58/931950758.db2.gz RIVFJVJADNTMHP-SIKLNZKXSA-N 2 1 359.558 3.611 20 0 FHADMP FC(F)(F)c1ccnc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001279225040 931962923 /nfs/dbraw/zinc/96/29/23/931962923.db2.gz XQOVCDDFNBCSKL-UHFFFAOYSA-N 2 1 353.432 3.941 20 0 FHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(-c2cccs2)c1 ZINC000581455969 932089451 /nfs/dbraw/zinc/08/94/51/932089451.db2.gz JOWAAUMBSKDFBD-UHFFFAOYSA-N 2 1 361.530 3.624 20 0 FHADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000317563835 932123718 /nfs/dbraw/zinc/12/37/18/932123718.db2.gz VNUYYKICLNHEIL-CABCVRRESA-N 2 1 360.299 3.714 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000564452591 932249275 /nfs/dbraw/zinc/24/92/75/932249275.db2.gz GWXFVBFPZHWSNY-UHOSZYNNSA-N 2 1 372.534 3.895 20 0 FHADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000430631389 932422047 /nfs/dbraw/zinc/42/20/47/932422047.db2.gz BHRFWMQEVKMEMT-UHFFFAOYSA-N 2 1 373.884 3.742 20 0 FHADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000581713889 932546141 /nfs/dbraw/zinc/54/61/41/932546141.db2.gz ZHYZYEGXILNPHL-WBMJQRKESA-N 2 1 357.420 3.530 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000581713886 932546271 /nfs/dbraw/zinc/54/62/71/932546271.db2.gz ZHYZYEGXILNPHL-BLLLJJGKSA-N 2 1 357.420 3.530 20 0 FHADMP CC[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000581782031 932671731 /nfs/dbraw/zinc/67/17/31/932671731.db2.gz OLOFEDMHBIFJQZ-HBMCJLEFSA-N 2 1 374.569 3.770 20 0 FHADMP CC[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000581782031 932671734 /nfs/dbraw/zinc/67/17/34/932671734.db2.gz OLOFEDMHBIFJQZ-HBMCJLEFSA-N 2 1 374.569 3.770 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000581851291 932739831 /nfs/dbraw/zinc/73/98/31/932739831.db2.gz GLPBYXXZLBWALP-AWEZNQCLSA-N 2 1 355.295 3.752 20 0 FHADMP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709517 932911191 /nfs/dbraw/zinc/91/11/91/932911191.db2.gz CGFAWJXXHYNCTG-OWCLPIDISA-N 2 1 352.469 3.847 20 0 FHADMP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709517 932911195 /nfs/dbraw/zinc/91/11/95/932911195.db2.gz CGFAWJXXHYNCTG-OWCLPIDISA-N 2 1 352.469 3.847 20 0 FHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCc3c[nH+]cn3C)s2)cc1 ZINC000276716559 933029413 /nfs/dbraw/zinc/02/94/13/933029413.db2.gz WDTTUOUOVNNTQV-CYBMUJFWSA-N 2 1 356.495 3.754 20 0 FHADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000581951973 933104679 /nfs/dbraw/zinc/10/46/79/933104679.db2.gz UFMKKTILXTUQEL-MRXNPFEDSA-N 2 1 364.287 3.571 20 0 FHADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000581951973 933104685 /nfs/dbraw/zinc/10/46/85/933104685.db2.gz UFMKKTILXTUQEL-MRXNPFEDSA-N 2 1 364.287 3.571 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650524 933354597 /nfs/dbraw/zinc/35/45/97/933354597.db2.gz KBQJCSJLIYINBK-XZOQPEGZSA-N 2 1 372.553 3.845 20 0 FHADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000510674059 933395512 /nfs/dbraw/zinc/39/55/12/933395512.db2.gz GPVKFJDFULGQQS-OAQYLSRUSA-N 2 1 374.532 3.741 20 0 FHADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000510674058 933395862 /nfs/dbraw/zinc/39/58/62/933395862.db2.gz GPVKFJDFULGQQS-NRFANRHFSA-N 2 1 374.532 3.741 20 0 FHADMP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000431032410 933709275 /nfs/dbraw/zinc/70/92/75/933709275.db2.gz CKJJBGBDSOEIQM-CTILAWNOSA-N 2 1 369.553 3.591 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000510802070 933759170 /nfs/dbraw/zinc/75/91/70/933759170.db2.gz CQFDZTQAPNXDGJ-UHFFFAOYSA-N 2 1 371.569 3.913 20 0 FHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000510823396 933807107 /nfs/dbraw/zinc/80/71/07/933807107.db2.gz AUDGFSQRAIZQFV-UHFFFAOYSA-N 2 1 365.521 3.534 20 0 FHADMP Cc1noc([C@@H]2CCC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000091832947 933899083 /nfs/dbraw/zinc/89/90/83/933899083.db2.gz NPHRMJLOKNLISK-LJQANCHMSA-N 2 1 356.514 3.716 20 0 FHADMP Cc1noc([C@@H]2CCC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000091832947 933899088 /nfs/dbraw/zinc/89/90/88/933899088.db2.gz NPHRMJLOKNLISK-LJQANCHMSA-N 2 1 356.514 3.716 20 0 FHADMP Cc1noc([C@@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000091832947 933899091 /nfs/dbraw/zinc/89/90/91/933899091.db2.gz NPHRMJLOKNLISK-LJQANCHMSA-N 2 1 356.514 3.716 20 0 FHADMP Cc1noc([C@@H]2CCC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000091832947 933899094 /nfs/dbraw/zinc/89/90/94/933899094.db2.gz NPHRMJLOKNLISK-LJQANCHMSA-N 2 1 356.514 3.716 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561413 934093132 /nfs/dbraw/zinc/09/31/32/934093132.db2.gz SFFJFTAADBVQGQ-VIQWUECVSA-N 2 1 352.563 3.989 20 0 FHADMP CCN(CC)C(=O)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000092593010 934100960 /nfs/dbraw/zinc/10/09/60/934100960.db2.gz JRRQKHKMCHQRHC-UHFFFAOYSA-N 2 1 373.585 3.725 20 0 FHADMP FC(F)n1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535674743 934269352 /nfs/dbraw/zinc/26/93/52/934269352.db2.gz IKJIVBXKFKITHA-UHFFFAOYSA-N 2 1 360.452 3.766 20 0 FHADMP FC(F)n1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535674743 934269356 /nfs/dbraw/zinc/26/93/56/934269356.db2.gz IKJIVBXKFKITHA-UHFFFAOYSA-N 2 1 360.452 3.766 20 0 FHADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799769 934426263 /nfs/dbraw/zinc/42/62/63/934426263.db2.gz QCTKCWSUHCNFKE-CJNGLKHVSA-N 2 1 372.294 3.674 20 0 FHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000535818228 934445817 /nfs/dbraw/zinc/44/58/17/934445817.db2.gz DBAGMDVXVSATKH-HXUWFJFHSA-N 2 1 369.553 3.918 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000510990212 934549153 /nfs/dbraw/zinc/54/91/53/934549153.db2.gz AILDEHQPQKHMNQ-LBPRGKRZSA-N 2 1 354.267 3.704 20 0 FHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000090465812 934729424 /nfs/dbraw/zinc/72/94/24/934729424.db2.gz NOFPWFUNZAYBMB-DUXKGJEZSA-N 2 1 361.574 3.553 20 0 FHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cncc(Br)c1 ZINC000277214177 934811508 /nfs/dbraw/zinc/81/15/08/934811508.db2.gz NMXQEHPFDCBWLD-UHFFFAOYSA-N 2 1 351.292 3.515 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncc(Br)c1 ZINC000277214177 934811514 /nfs/dbraw/zinc/81/15/14/934811514.db2.gz NMXQEHPFDCBWLD-UHFFFAOYSA-N 2 1 351.292 3.515 20 0 FHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000124518893 934831150 /nfs/dbraw/zinc/83/11/50/934831150.db2.gz KYBXFDNJOLVYLR-GOSISDBHSA-N 2 1 367.990 3.740 20 0 FHADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCC(F)(F)F ZINC000101590324 934843026 /nfs/dbraw/zinc/84/30/26/934843026.db2.gz CINIMLWIUGOSPZ-UHFFFAOYSA-N 2 1 372.431 3.743 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2c1C ZINC000472040786 934878746 /nfs/dbraw/zinc/87/87/46/934878746.db2.gz ABULURBXNIIWFM-NRFANRHFSA-N 2 1 363.505 3.641 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657310831 935098533 /nfs/dbraw/zinc/09/85/33/935098533.db2.gz GNNIGOVGHTZNBV-KRWDZBQOSA-N 2 1 352.526 3.962 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657313143 935116630 /nfs/dbraw/zinc/11/66/30/935116630.db2.gz GCXNVKNMKYYQFX-QZTJIDSGSA-N 2 1 367.541 3.771 20 0 FHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCC2CCC2)CC1)Cc1ccccc1 ZINC001167529477 935135047 /nfs/dbraw/zinc/13/50/47/935135047.db2.gz NMTFFMXHNYDACT-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP C[C@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192987 935391580 /nfs/dbraw/zinc/39/15/80/935391580.db2.gz ZYWBKRMJVGMUOT-TZIWHRDSSA-N 2 1 371.569 3.685 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000657397167 935548966 /nfs/dbraw/zinc/54/89/66/935548966.db2.gz RXOYEZUJNKYYIG-LBPRGKRZSA-N 2 1 363.387 3.784 20 0 FHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)[C@H](c2ccccc2)C1 ZINC000647249212 935566878 /nfs/dbraw/zinc/56/68/78/935566878.db2.gz JJWSGWAUIFSDKJ-MOPGFXCFSA-N 2 1 352.507 3.573 20 0 FHADMP Cc1ccc2cc[nH+]c(NCC3(O)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000582418046 935677495 /nfs/dbraw/zinc/67/74/95/935677495.db2.gz ZZPASFGTUZQGNH-UHFFFAOYSA-N 2 1 361.489 3.982 20 0 FHADMP CCC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582429031 935689292 /nfs/dbraw/zinc/68/92/92/935689292.db2.gz HWKVJDYMLCAFLJ-RXVVDRJESA-N 2 1 363.590 3.610 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)cc21 ZINC000657428744 935703476 /nfs/dbraw/zinc/70/34/76/935703476.db2.gz AWPZQXGMGWXSKG-NRFANRHFSA-N 2 1 363.505 3.723 20 0 FHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000159151611 935802646 /nfs/dbraw/zinc/80/26/46/935802646.db2.gz YKWMJLRNQNJFOL-HNNXBMFYSA-N 2 1 374.554 3.665 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452422 935805233 /nfs/dbraw/zinc/80/52/33/935805233.db2.gz FEUKPXQBKQTHOW-KRWDZBQOSA-N 2 1 374.326 3.764 20 0 FHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000657452841 935809857 /nfs/dbraw/zinc/80/98/57/935809857.db2.gz KPDBLYTUOPFTSC-KNQAVFIVSA-N 2 1 368.521 3.712 20 0 FHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc21 ZINC000439957790 945125608 /nfs/dbraw/zinc/12/56/08/945125608.db2.gz FHDROMYCBACRCM-HXUWFJFHSA-N 2 1 368.525 3.548 20 0 FHADMP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000657468770 935834392 /nfs/dbraw/zinc/83/43/92/935834392.db2.gz CGWOLDNDSCBCSV-QGZVFWFLSA-N 2 1 369.415 3.914 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586065 935846370 /nfs/dbraw/zinc/84/63/70/935846370.db2.gz GXYKNDASPNONHT-MSOLQXFVSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586065 935846372 /nfs/dbraw/zinc/84/63/72/935846372.db2.gz GXYKNDASPNONHT-MSOLQXFVSA-N 2 1 355.567 3.876 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586065 935846376 /nfs/dbraw/zinc/84/63/76/935846376.db2.gz GXYKNDASPNONHT-MSOLQXFVSA-N 2 1 355.567 3.876 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000048750385 935850865 /nfs/dbraw/zinc/85/08/65/935850865.db2.gz OUJLWJUTSADNGL-UHFFFAOYSA-N 2 1 372.476 3.619 20 0 FHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152883552 935877382 /nfs/dbraw/zinc/87/73/82/935877382.db2.gz IMMIMXCDCIDNKH-QHCPKHFHSA-N 2 1 365.521 3.764 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100980 935961608 /nfs/dbraw/zinc/96/16/08/935961608.db2.gz DSSJQUGSZTZWRZ-QGZVFWFLSA-N 2 1 356.297 3.992 20 0 FHADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)nc1 ZINC000075836469 936020290 /nfs/dbraw/zinc/02/02/90/936020290.db2.gz AZDORQCRVUSGDC-NRFANRHFSA-N 2 1 365.521 3.968 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)nc1 ZINC000075836469 936020292 /nfs/dbraw/zinc/02/02/92/936020292.db2.gz AZDORQCRVUSGDC-NRFANRHFSA-N 2 1 365.521 3.968 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597313 936072578 /nfs/dbraw/zinc/07/25/78/936072578.db2.gz TVLZFYAWJHTYMQ-OAHLLOKOSA-N 2 1 370.440 3.623 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)cc2)C1 ZINC000657596570 936072712 /nfs/dbraw/zinc/07/27/12/936072712.db2.gz OLCHDXGGFDFEAD-HSZRJFAPSA-N 2 1 373.500 3.605 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593579 936073457 /nfs/dbraw/zinc/07/34/57/936073457.db2.gz IIGNUUZDFGNSMS-QGZVFWFLSA-N 2 1 365.304 3.850 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)cc2)C1 ZINC000657594545 936074501 /nfs/dbraw/zinc/07/45/01/936074501.db2.gz BJPCIJKNEWWHPF-RJGXRXQPSA-N 2 1 350.506 3.679 20 0 FHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(Cl)c3Cl)cc2)C1 ZINC000657596894 936079663 /nfs/dbraw/zinc/07/96/63/936079663.db2.gz PELNYFTUNSHIOB-HNNXBMFYSA-N 2 1 371.333 3.911 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(Cl)c3Cl)cc2)C1 ZINC000657596894 936079665 /nfs/dbraw/zinc/07/96/65/936079665.db2.gz PELNYFTUNSHIOB-HNNXBMFYSA-N 2 1 371.333 3.911 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264208 936154003 /nfs/dbraw/zinc/15/40/03/936154003.db2.gz VBFAHGSYHMGMOZ-PKOBYXMFSA-N 2 1 372.513 3.539 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264208 936154006 /nfs/dbraw/zinc/15/40/06/936154006.db2.gz VBFAHGSYHMGMOZ-PKOBYXMFSA-N 2 1 372.513 3.539 20 0 FHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccc(F)cc1 ZINC000414961242 945147171 /nfs/dbraw/zinc/14/71/71/945147171.db2.gz YQTLAKGENJOSOU-KXBFYZLASA-N 2 1 358.457 3.643 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237685678 936207300 /nfs/dbraw/zinc/20/73/00/936207300.db2.gz FIGOZKOHLJTZMU-HDICACEKSA-N 2 1 365.521 3.553 20 0 FHADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080338699 938249283 /nfs/dbraw/zinc/24/92/83/938249283.db2.gz WZSGQJBBOYHKSP-DENIHFKCSA-N 2 1 368.521 3.855 20 0 FHADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080338699 938249284 /nfs/dbraw/zinc/24/92/84/938249284.db2.gz WZSGQJBBOYHKSP-DENIHFKCSA-N 2 1 368.521 3.855 20 0 FHADMP COCC[C@@H](c1ccccc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536034199 938261736 /nfs/dbraw/zinc/26/17/36/938261736.db2.gz BJEOGMJFEAZLOS-JQVVWYNYSA-N 2 1 360.542 3.585 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278268437 938265352 /nfs/dbraw/zinc/26/53/52/938265352.db2.gz IYBHPUAIHRIMRX-UHFFFAOYSA-N 2 1 353.388 3.506 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000650706269 938285441 /nfs/dbraw/zinc/28/54/41/938285441.db2.gz HPXVFMXZQSYFGZ-WHSLLNHNSA-N 2 1 358.457 3.804 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(OC(F)F)cc1C ZINC000650706583 938286520 /nfs/dbraw/zinc/28/65/20/938286520.db2.gz NZMMPOLIURFXOE-JQHSSLGASA-N 2 1 368.468 3.623 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000650708351 938288197 /nfs/dbraw/zinc/28/81/97/938288197.db2.gz YFQAZXPSSSVRAP-VBQJREDUSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000650707253 938289055 /nfs/dbraw/zinc/28/90/55/938289055.db2.gz BUUBMKWVNCAENN-FRFSOERESA-N 2 1 360.395 3.563 20 0 FHADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708774 938291395 /nfs/dbraw/zinc/29/13/95/938291395.db2.gz MDIKRDUZWPNUKB-GUTXKFCHSA-N 2 1 373.360 3.537 20 0 FHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000583565310 938306609 /nfs/dbraw/zinc/30/66/09/938306609.db2.gz ZKBGCEILPABFQO-IBGZPJMESA-N 2 1 354.498 3.682 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000650722871 938309996 /nfs/dbraw/zinc/30/99/96/938309996.db2.gz CNQLOIYQDLFUMB-FCEUIQTBSA-N 2 1 351.494 3.609 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000650723178 938310182 /nfs/dbraw/zinc/31/01/82/938310182.db2.gz IKUWPFALWOJWHE-HJNYFJLDSA-N 2 1 369.484 3.749 20 0 FHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723772 938310937 /nfs/dbraw/zinc/31/09/37/938310937.db2.gz TVVQBHLDSZPKGD-KZNAEPCWSA-N 2 1 356.432 3.875 20 0 FHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C3(CCC3)C2)cc1 ZINC000657773167 938312377 /nfs/dbraw/zinc/31/23/77/938312377.db2.gz PYHATQHCIZCZBI-NRFANRHFSA-N 2 1 362.521 3.746 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C3(CCC3)C2)cc1 ZINC000657773167 938312379 /nfs/dbraw/zinc/31/23/79/938312379.db2.gz PYHATQHCIZCZBI-NRFANRHFSA-N 2 1 362.521 3.746 20 0 FHADMP CC(C)n1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773905 938319577 /nfs/dbraw/zinc/31/95/77/938319577.db2.gz VVCYFMKPNHPOFI-FQEVSTJZSA-N 2 1 352.526 3.856 20 0 FHADMP CC(C)n1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773905 938319579 /nfs/dbraw/zinc/31/95/79/938319579.db2.gz VVCYFMKPNHPOFI-FQEVSTJZSA-N 2 1 352.526 3.856 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630197 938326263 /nfs/dbraw/zinc/32/62/63/938326263.db2.gz MYJVYBSWQREMJV-RBBKRZOGSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@H]3CCCC[N@@H+]3C3CC3)CC23CC3)cc1 ZINC000583630197 938326266 /nfs/dbraw/zinc/32/62/66/938326266.db2.gz MYJVYBSWQREMJV-RBBKRZOGSA-N 2 1 353.554 3.790 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@H]3CCCC[N@H+]3C3CC3)CC23CC3)cc1 ZINC000583630197 938326267 /nfs/dbraw/zinc/32/62/67/938326267.db2.gz MYJVYBSWQREMJV-RBBKRZOGSA-N 2 1 353.554 3.790 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000728571797 938332446 /nfs/dbraw/zinc/33/24/46/938332446.db2.gz LDROVXGEKHVJDA-UHFFFAOYSA-N 2 1 367.578 3.686 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657778866 938348771 /nfs/dbraw/zinc/34/87/71/938348771.db2.gz WPXZPSVMYHSBOR-AEFFLSMTSA-N 2 1 352.469 3.570 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657778866 938348773 /nfs/dbraw/zinc/34/87/73/938348773.db2.gz WPXZPSVMYHSBOR-AEFFLSMTSA-N 2 1 352.469 3.570 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000151095368 938350872 /nfs/dbraw/zinc/35/08/72/938350872.db2.gz RNJGNOGGRDVVOB-UONOGXRCSA-N 2 1 355.320 3.840 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)C1 ZINC000151096476 938351401 /nfs/dbraw/zinc/35/14/01/938351401.db2.gz IKKRTGNZBJCBMX-ZWKOTPCHSA-N 2 1 360.546 3.943 20 0 FHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3CCCCCC3)CC2)C[C@@H](C)O1 ZINC000545170560 938386440 /nfs/dbraw/zinc/38/64/40/938386440.db2.gz KPAKCGNYZQKWRP-RTBURBONSA-N 2 1 352.563 3.547 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000650756674 938417284 /nfs/dbraw/zinc/41/72/84/938417284.db2.gz HPXQBOHPXKISFD-UHFFFAOYSA-N 3 1 351.538 3.939 20 0 FHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000278442635 938431442 /nfs/dbraw/zinc/43/14/42/938431442.db2.gz KPGYCADDESXSII-MUSUJDOFSA-N 3 1 353.554 3.646 20 0 FHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000278442635 938431443 /nfs/dbraw/zinc/43/14/43/938431443.db2.gz KPGYCADDESXSII-MUSUJDOFSA-N 2 1 353.554 3.646 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828237 938433830 /nfs/dbraw/zinc/43/38/30/938433830.db2.gz RPRIJSPHAPURAL-OAGGEKHMSA-N 2 1 372.431 3.599 20 0 FHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000600966814 938451683 /nfs/dbraw/zinc/45/16/83/938451683.db2.gz GRHNLECALGDKPS-IBGZPJMESA-N 2 1 365.949 3.522 20 0 FHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000600966814 938451686 /nfs/dbraw/zinc/45/16/86/938451686.db2.gz GRHNLECALGDKPS-IBGZPJMESA-N 2 1 365.949 3.522 20 0 FHADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cc1OC ZINC000583995063 938525974 /nfs/dbraw/zinc/52/59/74/938525974.db2.gz ZXRJQDDNFKOVFW-HSZRJFAPSA-N 2 1 366.505 3.946 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000584004365 938534339 /nfs/dbraw/zinc/53/43/39/938534339.db2.gz JFKZFTRIWDTUGM-UHFFFAOYSA-N 2 1 362.521 3.595 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819129 938553025 /nfs/dbraw/zinc/55/30/25/938553025.db2.gz QBFDWICKZYMIFX-NYVOZVTQSA-N 2 1 350.506 3.895 20 0 FHADMP C[C@H](O)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000657819129 938553027 /nfs/dbraw/zinc/55/30/27/938553027.db2.gz QBFDWICKZYMIFX-NYVOZVTQSA-N 2 1 350.506 3.895 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000569640771 938612393 /nfs/dbraw/zinc/61/23/93/938612393.db2.gz KEAKJFPBLQMQMW-GHTZIAJQSA-N 2 1 362.521 3.987 20 0 FHADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000569640771 938612394 /nfs/dbraw/zinc/61/23/94/938612394.db2.gz KEAKJFPBLQMQMW-GHTZIAJQSA-N 2 1 362.521 3.987 20 0 FHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000584220433 938644202 /nfs/dbraw/zinc/64/42/02/938644202.db2.gz PRIOPOSPKHZBCE-RTBURBONSA-N 2 1 370.884 3.510 20 0 FHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000584220433 938644204 /nfs/dbraw/zinc/64/42/04/938644204.db2.gz PRIOPOSPKHZBCE-RTBURBONSA-N 2 1 370.884 3.510 20 0 FHADMP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000657837157 938669423 /nfs/dbraw/zinc/66/94/23/938669423.db2.gz QXZVYBMTZHIBHC-AUSIDOKSSA-N 2 1 374.569 3.982 20 0 FHADMP C[N@@H+](CCCC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000926557602 938680215 /nfs/dbraw/zinc/68/02/15/938680215.db2.gz CYLRVONFYOJKIB-UHFFFAOYSA-N 2 1 365.562 3.630 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000657839297 938691661 /nfs/dbraw/zinc/69/16/61/938691661.db2.gz RAMCCJOFKNQLHL-LVCYWYKZSA-N 2 1 352.526 3.986 20 0 FHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1C ZINC000657846328 938708371 /nfs/dbraw/zinc/70/83/71/938708371.db2.gz QNGYTOJOCIJWAS-KRWDZBQOSA-N 2 1 350.304 3.955 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000584380940 938782294 /nfs/dbraw/zinc/78/22/94/938782294.db2.gz ZNWMXGCSDHDAGR-BWAGFHJFSA-N 2 1 350.506 3.799 20 0 FHADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000584380940 938782296 /nfs/dbraw/zinc/78/22/96/938782296.db2.gz ZNWMXGCSDHDAGR-BWAGFHJFSA-N 2 1 350.506 3.799 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000708530085 938802637 /nfs/dbraw/zinc/80/26/37/938802637.db2.gz WLWOEVXNYJJASM-HMXCVIKNSA-N 2 1 350.506 3.910 20 0 FHADMP C[C@H]1C[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090708795 938881837 /nfs/dbraw/zinc/88/18/37/938881837.db2.gz JJJDXXCTNGHUTH-PKOBYXMFSA-N 2 1 370.566 3.612 20 0 FHADMP CC(C)CCn1cccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000092175331 938906328 /nfs/dbraw/zinc/90/63/28/938906328.db2.gz NFLSFSFAHUTPON-QHCPKHFHSA-N 2 1 368.569 3.613 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708551209 938917992 /nfs/dbraw/zinc/91/79/92/938917992.db2.gz JTLILWLUWBEJNS-FXAWDEMLSA-N 2 1 354.494 3.562 20 0 FHADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000708551209 938917994 /nfs/dbraw/zinc/91/79/94/938917994.db2.gz JTLILWLUWBEJNS-FXAWDEMLSA-N 2 1 354.494 3.562 20 0 FHADMP COC(=O)c1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000092821329 938921713 /nfs/dbraw/zinc/92/17/13/938921713.db2.gz JLGHOQSJLUMTNB-UHFFFAOYSA-N 2 1 371.481 3.508 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc4cnccc4o3)CC2)oc1C ZINC000657877386 938965856 /nfs/dbraw/zinc/96/58/56/938965856.db2.gz JJCWDHKRFJRLOR-OAHLLOKOSA-N 2 1 368.481 3.995 20 0 FHADMP C[C@]1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCC[NH2+]C1 ZINC000414900733 945219744 /nfs/dbraw/zinc/21/97/44/945219744.db2.gz IQOSFXWJKUBQFR-HNNXBMFYSA-N 2 1 363.246 3.530 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(-c2ccccc2)n1 ZINC000685456044 938987761 /nfs/dbraw/zinc/98/77/61/938987761.db2.gz NNBZRDNVGBHFMN-HXUWFJFHSA-N 2 1 372.582 3.658 20 0 FHADMP C[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457404 938987850 /nfs/dbraw/zinc/98/78/50/938987850.db2.gz BTSZJTOXSIEJAF-HXUWFJFHSA-N 2 1 353.510 3.547 20 0 FHADMP C[N@H+]([C@@H]1CC[C@](C)(c2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458063 938988062 /nfs/dbraw/zinc/98/80/62/938988062.db2.gz ZPTTUPSVDZDXSO-VJBWXMMDSA-N 2 1 355.570 3.597 20 0 FHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C2)CC1 ZINC000685462830 938988610 /nfs/dbraw/zinc/98/86/10/938988610.db2.gz OQOWOTTZTZMZHZ-QFIPXVFZSA-N 2 1 365.521 3.824 20 0 FHADMP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC000647363667 938993280 /nfs/dbraw/zinc/99/32/80/938993280.db2.gz GNPFMWFIDXZOLE-WBDAEOGXSA-N 2 1 374.532 3.970 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657907602 938996389 /nfs/dbraw/zinc/99/63/89/938996389.db2.gz PPUQWRVOLIHDSF-JFSTXAPLSA-N 2 1 374.569 3.564 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080338396 939000362 /nfs/dbraw/zinc/00/03/62/939000362.db2.gz LBAUPVARURNKNY-RXVVDRJESA-N 2 1 371.569 3.666 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080338396 939000363 /nfs/dbraw/zinc/00/03/63/939000363.db2.gz LBAUPVARURNKNY-RXVVDRJESA-N 2 1 371.569 3.666 20 0 FHADMP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000080339307 939000429 /nfs/dbraw/zinc/00/04/29/939000429.db2.gz PIQWBOGYYKMYDB-YLJYHZDGSA-N 2 1 354.494 3.847 20 0 FHADMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1OC ZINC000080339307 939000430 /nfs/dbraw/zinc/00/04/30/939000430.db2.gz PIQWBOGYYKMYDB-YLJYHZDGSA-N 2 1 354.494 3.847 20 0 FHADMP COc1cc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)ccc1OC(F)F ZINC000163409479 939001323 /nfs/dbraw/zinc/00/13/23/939001323.db2.gz XYYODUAXLABZDJ-OAHLLOKOSA-N 2 1 354.441 3.745 20 0 FHADMP COc1cc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)ccc1OC(F)F ZINC000163409479 939001324 /nfs/dbraw/zinc/00/13/24/939001324.db2.gz XYYODUAXLABZDJ-OAHLLOKOSA-N 2 1 354.441 3.745 20 0 FHADMP COc1cc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)ccc1OC(F)F ZINC000163409479 939001325 /nfs/dbraw/zinc/00/13/25/939001325.db2.gz XYYODUAXLABZDJ-OAHLLOKOSA-N 2 1 354.441 3.745 20 0 FHADMP COc1cc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)ccc1OC(F)F ZINC000163409479 939001326 /nfs/dbraw/zinc/00/13/26/939001326.db2.gz XYYODUAXLABZDJ-OAHLLOKOSA-N 2 1 354.441 3.745 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657969713 939013481 /nfs/dbraw/zinc/01/34/81/939013481.db2.gz UDZAHVXPPNAPBB-UZLBHIALSA-N 2 1 365.477 3.635 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)ccn3)CC2)cs1 ZINC000375784447 939013960 /nfs/dbraw/zinc/01/39/60/939013960.db2.gz HWQSLNHPCIKRMV-MRXNPFEDSA-N 2 1 358.555 3.972 20 0 FHADMP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1)c1ccccc1 ZINC000657974576 939014939 /nfs/dbraw/zinc/01/49/39/939014939.db2.gz QSFKJCSKJAHFNF-SVMVAKDDSA-N 2 1 354.494 3.544 20 0 FHADMP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1)c1ccccc1 ZINC000657974576 939014940 /nfs/dbraw/zinc/01/49/40/939014940.db2.gz QSFKJCSKJAHFNF-SVMVAKDDSA-N 2 1 354.494 3.544 20 0 FHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658136766 939030995 /nfs/dbraw/zinc/03/09/95/939030995.db2.gz FDMOXCDTSQIFIK-GCJKJVERSA-N 2 1 368.521 3.891 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141443 939034876 /nfs/dbraw/zinc/03/48/76/939034876.db2.gz XDBNFHSIPFIOIH-IFMALSPDSA-N 2 1 368.521 3.811 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658142639 939035376 /nfs/dbraw/zinc/03/53/76/939035376.db2.gz VSUWIQRGIZZFEE-GHTZIAJQSA-N 2 1 360.448 3.772 20 0 FHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142909 939035456 /nfs/dbraw/zinc/03/54/56/939035456.db2.gz ZVAVSQBZTVQTEG-ODOSVJCGSA-N 2 1 350.506 3.666 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138009 939040549 /nfs/dbraw/zinc/04/05/49/939040549.db2.gz LSLSBGPWLLPOBD-KDOFPFPSSA-N 2 1 362.876 3.897 20 0 FHADMP CC[NH+]1CCC(C[NH2+]Cc2csc(N(C(C)=O)c3ccccc3)n2)CC1 ZINC000638565933 945225996 /nfs/dbraw/zinc/22/59/96/945225996.db2.gz WGOKRXCGAFHUFV-UHFFFAOYSA-N 2 1 372.538 3.649 20 0 FHADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320125 939110676 /nfs/dbraw/zinc/11/06/76/939110676.db2.gz NAPAWWYTTMROSU-PXNSSMCTSA-N 2 1 352.526 3.681 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658319442 939111464 /nfs/dbraw/zinc/11/14/64/939111464.db2.gz AWBXWBOIGIYVEY-FPOVZHCZSA-N 2 1 364.537 3.689 20 0 FHADMP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320381 939111672 /nfs/dbraw/zinc/11/16/72/939111672.db2.gz VDWDMBFUVPQFIS-LEWJYISDSA-N 2 1 364.537 3.763 20 0 FHADMP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658320381 939111676 /nfs/dbraw/zinc/11/16/76/939111676.db2.gz VDWDMBFUVPQFIS-LEWJYISDSA-N 2 1 364.537 3.763 20 0 FHADMP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472372463 939173726 /nfs/dbraw/zinc/17/37/26/939173726.db2.gz XPHJXNIVPPSAFH-UXHICEINSA-N 2 1 354.494 3.573 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507459706 945249855 /nfs/dbraw/zinc/24/98/55/945249855.db2.gz GUIRTORZJWAVHS-MLDBQTBOSA-N 3 1 357.586 3.997 20 0 FHADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000518250475 945253093 /nfs/dbraw/zinc/25/30/93/945253093.db2.gz GVUPQYNCBLUGNA-HXUWFJFHSA-N 2 1 371.569 3.588 20 0 FHADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507487533 945275153 /nfs/dbraw/zinc/27/51/53/945275153.db2.gz RIRRBEAABZPHKY-VAMGGRTRSA-N 2 1 358.526 3.609 20 0 FHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431635628 939913470 /nfs/dbraw/zinc/91/34/70/939913470.db2.gz LQZHORIRCAHBDF-JOCHJYFZSA-N 2 1 369.553 3.696 20 0 FHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548909385 939943937 /nfs/dbraw/zinc/94/39/37/939943937.db2.gz KAOCDTHFUOLIRO-INIZCTEOSA-N 2 1 374.447 3.846 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@@H]21 ZINC000375836174 939957650 /nfs/dbraw/zinc/95/76/50/939957650.db2.gz BJKWVRZFPTYKPA-LNLFQRSKSA-N 2 1 356.539 3.600 20 0 FHADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507508230 945287489 /nfs/dbraw/zinc/28/74/89/945287489.db2.gz JHQSITUYCKCNHE-BVSLBCMMSA-N 2 1 360.505 3.606 20 0 FHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569971757 940066895 /nfs/dbraw/zinc/06/68/95/940066895.db2.gz FUNLFVOAGVORMZ-HZSPNIEDSA-N 2 1 370.324 3.642 20 0 FHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569971757 940066898 /nfs/dbraw/zinc/06/68/98/940066898.db2.gz FUNLFVOAGVORMZ-HZSPNIEDSA-N 2 1 370.324 3.642 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000507536273 945295622 /nfs/dbraw/zinc/29/56/22/945295622.db2.gz WLXJOJWILQQYKX-RYFAJOAYSA-N 2 1 356.554 3.675 20 0 FHADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000413837905 940170978 /nfs/dbraw/zinc/17/09/78/940170978.db2.gz RWKSXBLHKDEZSJ-IBGZPJMESA-N 2 1 369.553 3.619 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000584499354 940269937 /nfs/dbraw/zinc/26/99/37/940269937.db2.gz HVXSQEKHZLGBKD-YJMBLLCNSA-N 2 1 360.542 3.633 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)sc2C1 ZINC000431683584 940277061 /nfs/dbraw/zinc/27/70/61/940277061.db2.gz BJMRIRXGFRRYPV-DYESRHJHSA-N 2 1 371.550 3.777 20 0 FHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)sc2C1 ZINC000431683584 940277063 /nfs/dbraw/zinc/27/70/63/940277063.db2.gz BJMRIRXGFRRYPV-DYESRHJHSA-N 2 1 371.550 3.777 20 0 FHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785601 940282960 /nfs/dbraw/zinc/28/29/60/940282960.db2.gz SUAZLGCYKJKOSG-IYICPGQYSA-N 2 1 368.468 3.734 20 0 FHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785601 940282961 /nfs/dbraw/zinc/28/29/61/940282961.db2.gz SUAZLGCYKJKOSG-IYICPGQYSA-N 2 1 368.468 3.734 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000431734566 940438645 /nfs/dbraw/zinc/43/86/45/940438645.db2.gz WSRUBZRXPHHOPP-KNQAVFIVSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000431734566 940438646 /nfs/dbraw/zinc/43/86/46/940438646.db2.gz WSRUBZRXPHHOPP-KNQAVFIVSA-N 2 1 371.569 3.942 20 0 FHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000431734566 940438649 /nfs/dbraw/zinc/43/86/49/940438649.db2.gz WSRUBZRXPHHOPP-KNQAVFIVSA-N 2 1 371.569 3.942 20 0 FHADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000685849376 940463743 /nfs/dbraw/zinc/46/37/43/940463743.db2.gz WLHSSBVWBVDPMI-HXUWFJFHSA-N 2 1 360.542 3.941 20 0 FHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccco1 ZINC000431783663 940498134 /nfs/dbraw/zinc/49/81/34/940498134.db2.gz UTIHMZVRCKSDHS-MOPGFXCFSA-N 2 1 361.530 3.576 20 0 FHADMP c1ccc([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628255 945327127 /nfs/dbraw/zinc/32/71/27/945327127.db2.gz ROOYXAOHTZOWBS-OYRHEFFESA-N 2 1 364.537 3.926 20 0 FHADMP c1ccc([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628255 945327136 /nfs/dbraw/zinc/32/71/36/945327136.db2.gz ROOYXAOHTZOWBS-OYRHEFFESA-N 2 1 364.537 3.926 20 0 FHADMP c1ccc([C@@H]2CCC[N@@H+](CCC[NH+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628255 945327141 /nfs/dbraw/zinc/32/71/41/945327141.db2.gz ROOYXAOHTZOWBS-OYRHEFFESA-N 2 1 364.537 3.926 20 0 FHADMP c1ccc([C@@H]2CCC[N@H+](CCC[NH+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628255 945327150 /nfs/dbraw/zinc/32/71/50/945327150.db2.gz ROOYXAOHTZOWBS-OYRHEFFESA-N 2 1 364.537 3.926 20 0 FHADMP COc1ccccc1C[NH+](C)C/C=C/C[N@H+](C)Cc1ccccc1OC ZINC000613360861 940630593 /nfs/dbraw/zinc/63/05/93/940630593.db2.gz RAHKFICZNZYCNP-MDZDMXLPSA-N 2 1 354.494 3.824 20 0 FHADMP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nc2c(s1)CCC2 ZINC000414156022 940685076 /nfs/dbraw/zinc/68/50/76/940685076.db2.gz OTEMQAPLYZKARZ-GJZGRUSLSA-N 2 1 359.539 3.984 20 0 FHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184869 940726775 /nfs/dbraw/zinc/72/67/75/940726775.db2.gz OOZLWACMNMDXKO-ZIAGYGMSSA-N 2 1 372.294 3.674 20 0 FHADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189905 940737371 /nfs/dbraw/zinc/73/73/71/940737371.db2.gz RNEVGFAUCDKVKM-GOEBONIOSA-N 2 1 361.921 3.612 20 0 FHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000414195896 940744902 /nfs/dbraw/zinc/74/49/02/940744902.db2.gz VDXADMGORSAGAY-KBPBESRZSA-N 2 1 372.294 3.674 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000613492344 940776026 /nfs/dbraw/zinc/77/60/26/940776026.db2.gz IJUKTSKVIRRKGV-FQEVSTJZSA-N 2 1 373.585 3.925 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892579557 940825801 /nfs/dbraw/zinc/82/58/01/940825801.db2.gz ATHHGGFTLPVLIH-QGZVFWFLSA-N 2 1 352.526 3.819 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000658986006 940976493 /nfs/dbraw/zinc/97/64/93/940976493.db2.gz QFQRTGVMMRTEIM-GOSISDBHSA-N 2 1 357.502 3.550 20 0 FHADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc(OC(F)(F)F)c1 ZINC001143472744 941039223 /nfs/dbraw/zinc/03/92/23/941039223.db2.gz VHIMGICYKOCJJB-UHFFFAOYSA-N 2 1 365.399 3.919 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(c3ccc(F)cc3F)C2)cn1 ZINC000892634031 941047070 /nfs/dbraw/zinc/04/70/70/941047070.db2.gz MFERNRQEZZGNEP-UHFFFAOYSA-N 2 1 354.404 3.890 20 0 FHADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000647542768 941062451 /nfs/dbraw/zinc/06/24/51/941062451.db2.gz BOGPZNQKBHVNED-YADHBBJMSA-N 2 1 365.521 3.872 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cscc3Cl)CC2)CC1 ZINC000636438098 941069797 /nfs/dbraw/zinc/06/97/97/941069797.db2.gz NSFQECNJXVYBET-UHFFFAOYSA-N 2 1 355.935 3.536 20 0 FHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C(F)(F)F ZINC000414403499 941103370 /nfs/dbraw/zinc/10/33/70/941103370.db2.gz GRQFURUFQBEHEI-BPQIPLTHSA-N 2 1 356.432 3.697 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187779506 941125722 /nfs/dbraw/zinc/12/57/22/941125722.db2.gz KHKUCPSGKSUAAQ-QKLQHJQFSA-N 2 1 358.505 3.986 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000187779506 941125724 /nfs/dbraw/zinc/12/57/24/941125724.db2.gz KHKUCPSGKSUAAQ-QKLQHJQFSA-N 2 1 358.505 3.986 20 0 FHADMP C[N@@H+](CCCO)C1CCN(CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000115548794 941133535 /nfs/dbraw/zinc/13/35/35/941133535.db2.gz IANJJKRCIGUKLQ-UHFFFAOYSA-N 2 1 362.558 3.532 20 0 FHADMP C[N@H+](CCCO)C1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000115548794 941133537 /nfs/dbraw/zinc/13/35/37/941133537.db2.gz IANJJKRCIGUKLQ-UHFFFAOYSA-N 2 1 362.558 3.532 20 0 FHADMP C[N@@H+](CCCO)C1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000115548794 941133541 /nfs/dbraw/zinc/13/35/41/941133541.db2.gz IANJJKRCIGUKLQ-UHFFFAOYSA-N 2 1 362.558 3.532 20 0 FHADMP COc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1OC ZINC000580209304 941243750 /nfs/dbraw/zinc/24/37/50/941243750.db2.gz MDWPCUMMSIVJEM-UHFFFAOYSA-N 2 1 354.494 3.800 20 0 FHADMP COc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000580209304 941243753 /nfs/dbraw/zinc/24/37/53/941243753.db2.gz MDWPCUMMSIVJEM-UHFFFAOYSA-N 2 1 354.494 3.800 20 0 FHADMP CCOc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000311565059 941332287 /nfs/dbraw/zinc/33/22/87/941332287.db2.gz YUIVFNSNWZFSNZ-QFIPXVFZSA-N 2 1 354.494 3.793 20 0 FHADMP C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376639035 941370302 /nfs/dbraw/zinc/37/03/02/941370302.db2.gz ZOHCZWPHHIAFSN-FDDCHVKYSA-N 2 1 361.533 3.714 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2ccccc2OC)cc1 ZINC000643057876 941535259 /nfs/dbraw/zinc/53/52/59/941535259.db2.gz RDVMCKHFOSALDQ-RXVVDRJESA-N 2 1 354.494 3.973 20 0 FHADMP FC(F)(F)c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415030925 941554438 /nfs/dbraw/zinc/55/44/38/941554438.db2.gz DDVMDOVKFADSQM-HNNXBMFYSA-N 2 1 370.440 3.902 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000549162710 941559232 /nfs/dbraw/zinc/55/92/32/941559232.db2.gz RDTZLDUAEXWYDX-UHFFFAOYSA-N 2 1 352.482 3.920 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000549162710 941559237 /nfs/dbraw/zinc/55/92/37/941559237.db2.gz RDTZLDUAEXWYDX-UHFFFAOYSA-N 2 1 352.482 3.920 20 0 FHADMP Brc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051619 941567498 /nfs/dbraw/zinc/56/74/98/941567498.db2.gz MFWHMUUKAANGJU-RDTXWAMCSA-N 2 1 374.326 3.961 20 0 FHADMP Brc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000415051619 941567501 /nfs/dbraw/zinc/56/75/01/941567501.db2.gz MFWHMUUKAANGJU-RDTXWAMCSA-N 2 1 374.326 3.961 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122814 941619110 /nfs/dbraw/zinc/61/91/10/941619110.db2.gz ISBPKYXSLJGHMX-APWZRJJASA-N 2 1 354.494 3.788 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134863 941621965 /nfs/dbraw/zinc/62/19/65/941621965.db2.gz WHBPJZWFZRAFEH-VQIMIIECSA-N 2 1 372.484 3.830 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000415174708 941650302 /nfs/dbraw/zinc/65/03/02/941650302.db2.gz DNMNRXSKBFVTFB-CVEARBPZSA-N 2 1 368.481 3.744 20 0 FHADMP CCOc1ccc(F)c(F)c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001143494950 941690932 /nfs/dbraw/zinc/69/09/32/941690932.db2.gz DHJVSSFEKZVHQD-UHFFFAOYSA-N 2 1 352.469 3.917 20 0 FHADMP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404229 941697438 /nfs/dbraw/zinc/69/74/38/941697438.db2.gz PMBPOKWZSZNWHW-CTNGQTDRSA-N 2 1 374.550 3.694 20 0 FHADMP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404235 941698106 /nfs/dbraw/zinc/69/81/06/941698106.db2.gz PMBPOKWZSZNWHW-TZIWHRDSSA-N 2 1 374.550 3.694 20 0 FHADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000549250260 941753243 /nfs/dbraw/zinc/75/32/43/941753243.db2.gz BAKJNRBYOVDFON-IBGZPJMESA-N 2 1 354.542 3.997 20 0 FHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000892977459 941831105 /nfs/dbraw/zinc/83/11/05/941831105.db2.gz NZDIWYQFWWKZJQ-YOYVGRRSSA-N 2 1 364.493 3.610 20 0 FHADMP Cc1noc(C2(C)CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000513374171 941881612 /nfs/dbraw/zinc/88/16/12/941881612.db2.gz VYJNECZJUXOYAB-UHFFFAOYSA-N 2 1 370.541 3.890 20 0 FHADMP Cc1noc(C2(C)CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000513374171 941881622 /nfs/dbraw/zinc/88/16/22/941881622.db2.gz VYJNECZJUXOYAB-UHFFFAOYSA-N 2 1 370.541 3.890 20 0 FHADMP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(C2CC2)n1 ZINC000893019932 941895195 /nfs/dbraw/zinc/89/51/95/941895195.db2.gz XMVYFZCVTYGNTI-UHFFFAOYSA-N 2 1 364.493 3.812 20 0 FHADMP CCCCc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000513472268 941951772 /nfs/dbraw/zinc/95/17/72/941951772.db2.gz BGMFXFIBIDHYFL-IBGZPJMESA-N 2 1 369.553 3.987 20 0 FHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)o1 ZINC000377761123 941967052 /nfs/dbraw/zinc/96/70/52/941967052.db2.gz LGWNIPJPNHSPIW-UTKZUKDTSA-N 2 1 350.466 3.761 20 0 FHADMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1O ZINC000513546739 942006199 /nfs/dbraw/zinc/00/61/99/942006199.db2.gz ZMLJNISPGPYCFK-XLIONFOSSA-N 2 1 354.494 3.791 20 0 FHADMP Cn1nc(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000377859692 942037981 /nfs/dbraw/zinc/03/79/81/942037981.db2.gz JFLRRMWDDREWHJ-OAHLLOKOSA-N 2 1 369.900 3.631 20 0 FHADMP Cn1nc(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000377859692 942037982 /nfs/dbraw/zinc/03/79/82/942037982.db2.gz JFLRRMWDDREWHJ-OAHLLOKOSA-N 2 1 369.900 3.631 20 0 FHADMP Cc1cc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc(C)c1O ZINC000377865300 942041623 /nfs/dbraw/zinc/04/16/23/942041623.db2.gz QTXIINJQHWLGTJ-UHFFFAOYSA-N 2 1 353.510 3.543 20 0 FHADMP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc(C)c1O ZINC000377865300 942041627 /nfs/dbraw/zinc/04/16/27/942041627.db2.gz QTXIINJQHWLGTJ-UHFFFAOYSA-N 2 1 353.510 3.543 20 0 FHADMP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc(C)c1O ZINC000377865300 942041630 /nfs/dbraw/zinc/04/16/30/942041630.db2.gz QTXIINJQHWLGTJ-UHFFFAOYSA-N 2 1 353.510 3.543 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cn3ccsc3n2)CC1 ZINC000513668510 942064975 /nfs/dbraw/zinc/06/49/75/942064975.db2.gz ZRJUAYUNMZLMON-UHFFFAOYSA-N 2 1 354.523 3.929 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415905869 942133933 /nfs/dbraw/zinc/13/39/33/942133933.db2.gz JCHQLKQIUHAUCY-AZUAARDMSA-N 2 1 372.557 3.914 20 0 FHADMP CCN(C(=O)Nc1ccccc1C[NH2+]C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415917389 942141594 /nfs/dbraw/zinc/14/15/94/942141594.db2.gz DDCOFBHGPPUUHT-HXUWFJFHSA-N 2 1 366.509 3.534 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000415926478 942162432 /nfs/dbraw/zinc/16/24/32/942162432.db2.gz ZKGIZJQNLGJWIL-FUHWJXTLSA-N 2 1 358.530 3.571 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000415943301 942174522 /nfs/dbraw/zinc/17/45/22/942174522.db2.gz LJBSGKCKQQQSMV-SFHVURJKSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415945613 942179676 /nfs/dbraw/zinc/17/96/76/942179676.db2.gz RSDHZUCSIHYLCI-NRFANRHFSA-N 2 1 366.509 3.534 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](c3cccnc3)C3CCC3)CC2)nc(C)[nH+]1 ZINC000280443621 942181744 /nfs/dbraw/zinc/18/17/44/942181744.db2.gz CSVBIEVVDRRLHT-NRFANRHFSA-N 2 1 351.498 3.588 20 0 FHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415962960 942202069 /nfs/dbraw/zinc/20/20/69/942202069.db2.gz UQTGHCGJUAJQMY-WBMJQRKESA-N 2 1 372.435 3.501 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415964283 942202830 /nfs/dbraw/zinc/20/28/30/942202830.db2.gz ZNWHFRLIILKUOS-FQEVSTJZSA-N 2 1 366.509 3.534 20 0 FHADMP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415975701 942218992 /nfs/dbraw/zinc/21/89/92/942218992.db2.gz MUFWVGHEGVIPLM-UTKZUKDTSA-N 2 1 366.509 3.835 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)C1 ZINC000415973238 942219066 /nfs/dbraw/zinc/21/90/66/942219066.db2.gz JGGDBCVSCIYMRY-QGZVFWFLSA-N 2 1 366.509 3.699 20 0 FHADMP Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420934985 942262308 /nfs/dbraw/zinc/26/23/08/942262308.db2.gz KTEVFVVKFKZWCL-NRFANRHFSA-N 2 1 353.510 3.709 20 0 FHADMP C[C@]1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCc2ccccc21 ZINC000420944023 942268518 /nfs/dbraw/zinc/26/85/18/942268518.db2.gz XHKOIUJTNVWVPB-QHCPKHFHSA-N 2 1 350.506 3.860 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972364 942285832 /nfs/dbraw/zinc/28/58/32/942285832.db2.gz ANLUEWSXFVEBKU-GOSISDBHSA-N 2 1 363.977 3.936 20 0 FHADMP CC(=O)c1ccccc1OCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068518 942288005 /nfs/dbraw/zinc/28/80/05/942288005.db2.gz MJOFZIWRQOSBHJ-UHFFFAOYSA-N 2 1 367.493 3.511 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502224903 942290409 /nfs/dbraw/zinc/29/04/09/942290409.db2.gz WBENICFPGULYPI-UHFFFAOYSA-N 2 1 370.419 3.833 20 0 FHADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501074123 942295783 /nfs/dbraw/zinc/29/57/83/942295783.db2.gz BTGPCZUTZJCCGG-SFHVURJKSA-N 2 1 366.509 3.565 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576943939 942333162 /nfs/dbraw/zinc/33/31/62/942333162.db2.gz NGCXAZRXFIUSDT-NRFANRHFSA-N 2 1 372.944 3.777 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576943939 942333168 /nfs/dbraw/zinc/33/31/68/942333168.db2.gz NGCXAZRXFIUSDT-NRFANRHFSA-N 2 1 372.944 3.777 20 0 FHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868307 942379515 /nfs/dbraw/zinc/37/95/15/942379515.db2.gz FUPKTHRYNFRIIU-KZULUSFZSA-N 2 1 368.905 3.925 20 0 FHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000545868307 942379519 /nfs/dbraw/zinc/37/95/19/942379519.db2.gz FUPKTHRYNFRIIU-KZULUSFZSA-N 2 1 368.905 3.925 20 0 FHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134954 942380105 /nfs/dbraw/zinc/38/01/05/942380105.db2.gz QBFWOCRZPKSZPW-COPCDDAFSA-N 2 1 365.521 3.631 20 0 FHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501408208 942464736 /nfs/dbraw/zinc/46/47/36/942464736.db2.gz ASFWUROAKJZSTM-SNVBAGLBSA-N 2 1 358.230 3.658 20 0 FHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000501491936 942500805 /nfs/dbraw/zinc/50/08/05/942500805.db2.gz PPLZFAGPQYJRHQ-QCUIPMNBSA-N 2 1 370.459 3.935 20 0 FHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000501649645 942595506 /nfs/dbraw/zinc/59/55/06/942595506.db2.gz UDPGULNNURWADX-IBGZPJMESA-N 2 1 365.949 3.523 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295870 942598658 /nfs/dbraw/zinc/59/86/58/942598658.db2.gz BBVZVIWWANSQGQ-DYESRHJHSA-N 2 1 370.493 3.592 20 0 FHADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909463 942601649 /nfs/dbraw/zinc/60/16/49/942601649.db2.gz NKSKROPJKSUSMR-UXHICEINSA-N 2 1 359.558 3.524 20 0 FHADMP CCc1csc([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323065 942608540 /nfs/dbraw/zinc/60/85/40/942608540.db2.gz TVMHGLYSKMLBLT-DLBZAZTESA-N 2 1 359.539 3.636 20 0 FHADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(-c2ccc(Cl)cc2)n1 ZINC000420323316 942608741 /nfs/dbraw/zinc/60/87/41/942608741.db2.gz UFEUGPKYEYGOHZ-JJTKIYQPSA-N 2 1 356.901 3.820 20 0 FHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(-c2ccc(Cl)cc2)n1 ZINC000420323316 942608748 /nfs/dbraw/zinc/60/87/48/942608748.db2.gz UFEUGPKYEYGOHZ-JJTKIYQPSA-N 2 1 356.901 3.820 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420298653 942608798 /nfs/dbraw/zinc/60/87/98/942608798.db2.gz FNJHXENGNWJXLS-DYVFJYSZSA-N 2 1 370.324 3.786 20 0 FHADMP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420298653 942608801 /nfs/dbraw/zinc/60/88/01/942608801.db2.gz FNJHXENGNWJXLS-DYVFJYSZSA-N 2 1 370.324 3.786 20 0 FHADMP FC1(F)CCC[C@H](C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000420307541 942612757 /nfs/dbraw/zinc/61/27/57/942612757.db2.gz IZHOVMYUKRAMEZ-LSDHHAIUSA-N 2 1 355.498 3.913 20 0 FHADMP Clc1cccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420314210 942617430 /nfs/dbraw/zinc/61/74/30/942617430.db2.gz QIFDQAWRNPJOEF-LJQANCHMSA-N 2 1 359.901 3.758 20 0 FHADMP Clc1cccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420314210 942617432 /nfs/dbraw/zinc/61/74/32/942617432.db2.gz QIFDQAWRNPJOEF-LJQANCHMSA-N 2 1 359.901 3.758 20 0 FHADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420317113 942619026 /nfs/dbraw/zinc/61/90/26/942619026.db2.gz NESPUDWVPAQEFJ-CYBMUJFWSA-N 2 1 358.313 3.644 20 0 FHADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000420316029 942619144 /nfs/dbraw/zinc/61/91/44/942619144.db2.gz XNNOLPNOPFIIQR-UHFFFAOYSA-N 2 1 351.466 3.910 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420319506 942620184 /nfs/dbraw/zinc/62/01/84/942620184.db2.gz AIGLDFZKTPFPDQ-LEWJYISDSA-N 2 1 363.505 3.760 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000420318976 942620410 /nfs/dbraw/zinc/62/04/10/942620410.db2.gz QWADQXKGYURVIU-SJORKVTESA-N 2 1 363.461 3.545 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000420318976 942620412 /nfs/dbraw/zinc/62/04/12/942620412.db2.gz QWADQXKGYURVIU-SJORKVTESA-N 2 1 363.461 3.545 20 0 FHADMP c1sc(CCc2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336514 942621883 /nfs/dbraw/zinc/62/18/83/942621883.db2.gz MDIFHROLGMISNE-HXUWFJFHSA-N 2 1 355.551 3.892 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC12CCOCC2 ZINC000420337918 942623196 /nfs/dbraw/zinc/62/31/96/942623196.db2.gz XKRKWHOWJSAZHO-IBGZPJMESA-N 2 1 352.478 3.666 20 0 FHADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338025 942623247 /nfs/dbraw/zinc/62/32/47/942623247.db2.gz NMUSXIWFYHZCLI-YSIASYRMSA-N 2 1 363.505 3.612 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328216 942630347 /nfs/dbraw/zinc/63/03/47/942630347.db2.gz ZQGHMLSORAMYLT-KNQAVFIVSA-N 2 1 353.510 3.641 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420332571 942631607 /nfs/dbraw/zinc/63/16/07/942631607.db2.gz DHDVUNCZFBTRMG-CRAIPNDOSA-N 2 1 363.933 3.748 20 0 FHADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647939043 942643685 /nfs/dbraw/zinc/64/36/85/942643685.db2.gz ZOXLGAXLFUIPRV-PXNSSMCTSA-N 2 1 351.494 3.741 20 0 FHADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420378350 942646174 /nfs/dbraw/zinc/64/61/74/942646174.db2.gz QISZCEATGYXVHV-HSZRJFAPSA-N 2 1 363.505 3.758 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420386311 942649660 /nfs/dbraw/zinc/64/96/60/942649660.db2.gz FOMATCQULKKXSJ-MAUKXSAKSA-N 2 1 356.466 3.574 20 0 FHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420386311 942649662 /nfs/dbraw/zinc/64/96/62/942649662.db2.gz FOMATCQULKKXSJ-MAUKXSAKSA-N 2 1 356.466 3.574 20 0 FHADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397690 942658501 /nfs/dbraw/zinc/65/85/01/942658501.db2.gz PDRQMOUZDVYPNY-NYVOZVTQSA-N 2 1 365.521 3.631 20 0 FHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397690 942658503 /nfs/dbraw/zinc/65/85/03/942658503.db2.gz PDRQMOUZDVYPNY-NYVOZVTQSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397690 942658505 /nfs/dbraw/zinc/65/85/05/942658505.db2.gz PDRQMOUZDVYPNY-NYVOZVTQSA-N 2 1 365.521 3.631 20 0 FHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000590397690 942658507 /nfs/dbraw/zinc/65/85/07/942658507.db2.gz PDRQMOUZDVYPNY-NYVOZVTQSA-N 2 1 365.521 3.631 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901938 942665184 /nfs/dbraw/zinc/66/51/84/942665184.db2.gz XQSGQFNUNRJVHP-QUCCMNQESA-N 2 1 351.494 3.632 20 0 FHADMP CCc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000501817971 942685610 /nfs/dbraw/zinc/68/56/10/942685610.db2.gz UEHUZZJSABLCIP-UHFFFAOYSA-N 2 1 356.514 3.853 20 0 FHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000182376631 942726700 /nfs/dbraw/zinc/72/67/00/942726700.db2.gz CGGFZPPAMJULNY-QZTJIDSGSA-N 3 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000182376631 942726703 /nfs/dbraw/zinc/72/67/03/942726703.db2.gz CGGFZPPAMJULNY-QZTJIDSGSA-N 2 1 359.558 3.672 20 0 FHADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000182376631 942726709 /nfs/dbraw/zinc/72/67/09/942726709.db2.gz CGGFZPPAMJULNY-QZTJIDSGSA-N 2 1 359.558 3.672 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000514089131 942740894 /nfs/dbraw/zinc/74/08/94/942740894.db2.gz ORYXMBWSQVIEPK-SQNIBIBYSA-N 2 1 356.432 3.728 20 0 FHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000514115153 942755377 /nfs/dbraw/zinc/75/53/77/942755377.db2.gz PFWVZFKLQIBFTC-KRWDZBQOSA-N 2 1 360.477 3.787 20 0 FHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000514115153 942755380 /nfs/dbraw/zinc/75/53/80/942755380.db2.gz PFWVZFKLQIBFTC-KRWDZBQOSA-N 2 1 360.477 3.787 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@H]2CC[NH+](C)C2)c1 ZINC000664428647 942780164 /nfs/dbraw/zinc/78/01/64/942780164.db2.gz NZCNXUQTQNBYQO-NRFANRHFSA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(CC)[C@H]2CC[N@H+](C)C2)c1 ZINC000664428647 942780169 /nfs/dbraw/zinc/78/01/69/942780169.db2.gz NZCNXUQTQNBYQO-NRFANRHFSA-N 2 1 374.573 3.544 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)c1 ZINC000664428647 942780172 /nfs/dbraw/zinc/78/01/72/942780172.db2.gz NZCNXUQTQNBYQO-NRFANRHFSA-N 2 1 374.573 3.544 20 0 FHADMP CCOc1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000513759031 942820731 /nfs/dbraw/zinc/82/07/31/942820731.db2.gz DFRHCSACIAPNFS-UHFFFAOYSA-N 2 1 353.510 3.824 20 0 FHADMP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCCC1 ZINC000421836712 942840445 /nfs/dbraw/zinc/84/04/45/942840445.db2.gz RKDKDENPAUCWRA-SFHVURJKSA-N 2 1 363.546 3.831 20 0 FHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000514241975 942856092 /nfs/dbraw/zinc/85/60/92/942856092.db2.gz KCMFCZJKFGHCOV-YHSGTQGLSA-N 2 1 350.506 3.836 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183422038 942871115 /nfs/dbraw/zinc/87/11/15/942871115.db2.gz BOMITZWEASTXBT-RTBURBONSA-N 2 1 367.578 3.878 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000414850797 942873813 /nfs/dbraw/zinc/87/38/13/942873813.db2.gz ZVVSJHHUGVHVBL-UHFFFAOYSA-N 2 1 352.404 3.847 20 0 FHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000503076888 942959650 /nfs/dbraw/zinc/95/96/50/942959650.db2.gz WFKMLPHNIRFAGK-UHFFFAOYSA-N 2 1 357.498 3.664 20 0 FHADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OCC(F)(F)F ZINC000414855252 942980405 /nfs/dbraw/zinc/98/04/05/942980405.db2.gz WKZYADFLASYQSZ-OAHLLOKOSA-N 2 1 360.420 3.634 20 0 FHADMP CCC[N@@H+](C[C@H](OC)C1CCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000660073488 943052487 /nfs/dbraw/zinc/05/24/87/943052487.db2.gz GRICOWRIFORTCE-FQEVSTJZSA-N 2 1 360.546 3.589 20 0 FHADMP CCC[N@H+](C[C@H](OC)C1CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073488 943052494 /nfs/dbraw/zinc/05/24/94/943052494.db2.gz GRICOWRIFORTCE-FQEVSTJZSA-N 2 1 360.546 3.589 20 0 FHADMP CCC[N@@H+](C[C@H](OC)C1CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660073488 943052502 /nfs/dbraw/zinc/05/25/02/943052502.db2.gz GRICOWRIFORTCE-FQEVSTJZSA-N 2 1 360.546 3.589 20 0 FHADMP Cc1cc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000422218083 943058756 /nfs/dbraw/zinc/05/87/56/943058756.db2.gz XOFAYTRSERCMHI-NRFANRHFSA-N 2 1 366.509 3.504 20 0 FHADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655594 943111251 /nfs/dbraw/zinc/11/12/51/943111251.db2.gz DIBXEDFIUQTNRA-UYAOXDASSA-N 2 1 360.505 3.768 20 0 FHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414654368 943113152 /nfs/dbraw/zinc/11/31/52/943113152.db2.gz JBQAVMDHADOSOH-GFCCVEGCSA-N 2 1 351.313 3.958 20 0 FHADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cc2)c1 ZINC000414654721 943115514 /nfs/dbraw/zinc/11/55/14/943115514.db2.gz GMAOSIVRISXIRA-QVKFZJNVSA-N 2 1 356.466 3.665 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656481 943117629 /nfs/dbraw/zinc/11/76/29/943117629.db2.gz FVTAZRCOBPBSJB-CRAIPNDOSA-N 2 1 358.457 3.582 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661877 943132993 /nfs/dbraw/zinc/13/29/93/943132993.db2.gz QOUCWSZIEINVNB-NVXWUHKLSA-N 2 1 360.523 3.895 20 0 FHADMP C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361833 943143467 /nfs/dbraw/zinc/14/34/67/943143467.db2.gz SGLSARDCRAURIW-PZJWPPBQSA-N 2 1 355.570 3.894 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361833 943143470 /nfs/dbraw/zinc/14/34/70/943143470.db2.gz SGLSARDCRAURIW-PZJWPPBQSA-N 3 1 355.570 3.894 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272361833 943143473 /nfs/dbraw/zinc/14/34/73/943143473.db2.gz SGLSARDCRAURIW-PZJWPPBQSA-N 3 1 355.570 3.894 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664868 943155884 /nfs/dbraw/zinc/15/58/84/943155884.db2.gz UJSOCIREMOLDBY-LSDHHAIUSA-N 2 1 360.933 3.992 20 0 FHADMP Cc1noc(C2CCC([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536231 943172855 /nfs/dbraw/zinc/17/28/55/943172855.db2.gz BEOYDFDXIOMZRD-GXVGGZGZSA-N 2 1 368.525 3.904 20 0 FHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272665731 943196789 /nfs/dbraw/zinc/19/67/89/943196789.db2.gz IVPWQFADJDKAFI-ZVDOUQERSA-N 2 1 371.569 3.827 20 0 FHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272665727 943197000 /nfs/dbraw/zinc/19/70/00/943197000.db2.gz IVPWQFADJDKAFI-ZJOUEHCJSA-N 2 1 371.569 3.827 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837044 943230264 /nfs/dbraw/zinc/23/02/64/943230264.db2.gz IHQNAHBLHGQHEM-YLJYHZDGSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837044 943230276 /nfs/dbraw/zinc/23/02/76/943230276.db2.gz IHQNAHBLHGQHEM-YLJYHZDGSA-N 2 1 370.566 3.612 20 0 FHADMP Cc1sc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1C(C)C ZINC000422704151 943238760 /nfs/dbraw/zinc/23/87/60/943238760.db2.gz JXSGSTLCRQKILB-OXQOHEQNSA-N 2 1 357.523 3.920 20 0 FHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272948959 943249391 /nfs/dbraw/zinc/24/93/91/943249391.db2.gz UKWKPNMNEBHDPV-WIYYLYMNSA-N 2 1 369.553 3.665 20 0 FHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])c2)cc1 ZINC000422713219 943252732 /nfs/dbraw/zinc/25/27/32/943252732.db2.gz PAZVEQRLIQTDMJ-NHCUHLMSSA-N 2 1 351.494 3.997 20 0 FHADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422724018 943258815 /nfs/dbraw/zinc/25/88/15/943258815.db2.gz UBHXOGMFEZEIFM-LAUBAEHRSA-N 2 1 353.510 3.719 20 0 FHADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755471 943273689 /nfs/dbraw/zinc/27/36/89/943273689.db2.gz HYQFOJZAWSAELO-ACESQOTJSA-N 2 1 371.569 3.733 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)C1C[NH2+]C1 ZINC000422786636 943282303 /nfs/dbraw/zinc/28/23/03/943282303.db2.gz KZZIVOHPKZZGEM-LBPRGKRZSA-N 2 1 351.372 3.590 20 0 FHADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765691 943285623 /nfs/dbraw/zinc/28/56/23/943285623.db2.gz RBFOXJDFADBZDD-ISARSNTHSA-N 2 1 369.475 3.805 20 0 FHADMP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765691 943285627 /nfs/dbraw/zinc/28/56/27/943285627.db2.gz RBFOXJDFADBZDD-ISARSNTHSA-N 2 1 369.475 3.805 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422802118 943288505 /nfs/dbraw/zinc/28/85/05/943288505.db2.gz AXSJLOOVCWHSJV-BEFAXECRSA-N 2 1 366.427 3.814 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422802130 943288676 /nfs/dbraw/zinc/28/86/76/943288676.db2.gz AXSJLOOVCWHSJV-KXBFYZLASA-N 2 1 366.427 3.814 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813974 943292389 /nfs/dbraw/zinc/29/23/89/943292389.db2.gz SRUXQKINGFJVAB-VQDLLJBESA-N 3 1 365.521 3.530 20 0 FHADMP C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813974 943292396 /nfs/dbraw/zinc/29/23/96/943292396.db2.gz SRUXQKINGFJVAB-VQDLLJBESA-N 3 1 365.521 3.530 20 0 FHADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854214 943306490 /nfs/dbraw/zinc/30/64/90/943306490.db2.gz ZWBXPALGGWNVDZ-YTFSRNRJSA-N 2 1 355.570 3.594 20 0 FHADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854214 943306493 /nfs/dbraw/zinc/30/64/93/943306493.db2.gz ZWBXPALGGWNVDZ-YTFSRNRJSA-N 3 1 355.570 3.594 20 0 FHADMP C[C@@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1)c1c[nH+]ccc1N ZINC000422846187 943312862 /nfs/dbraw/zinc/31/28/62/943312862.db2.gz PMCTZSRPOJGWRI-FZKQIMNGSA-N 2 1 362.880 3.774 20 0 FHADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422881432 943316639 /nfs/dbraw/zinc/31/66/39/943316639.db2.gz NOJQHGRTQFTRMM-QTJFZDIUSA-N 2 1 350.466 3.766 20 0 FHADMP COc1ccc([C@H](NCCCC[N@H+]2CCC[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422888016 943318301 /nfs/dbraw/zinc/31/83/01/943318301.db2.gz ZPSPZVNTICEWKZ-NYVOZVTQSA-N 2 1 359.558 3.590 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422873797 943322787 /nfs/dbraw/zinc/32/27/87/943322787.db2.gz BBGIPHKCWANIFS-KDOFPFPSSA-N 2 1 352.400 3.676 20 0 FHADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000422873574 943322894 /nfs/dbraw/zinc/32/28/94/943322894.db2.gz LQGCUZDFXFZALI-HRCADAONSA-N 2 1 354.441 3.697 20 0 FHADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422902189 943325377 /nfs/dbraw/zinc/32/53/77/943325377.db2.gz TZKNXWNCUWYCQF-DNVJHFABSA-N 2 1 355.570 3.860 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000414702363 943325693 /nfs/dbraw/zinc/32/56/93/943325693.db2.gz BBHSNZGCYDGELT-PKOBYXMFSA-N 2 1 370.541 3.524 20 0 FHADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422938665 943339292 /nfs/dbraw/zinc/33/92/92/943339292.db2.gz DVRGXNBVSAYAMD-IUIKQTSFSA-N 2 1 365.930 3.614 20 0 FHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942475 943340239 /nfs/dbraw/zinc/34/02/39/943340239.db2.gz KKJYLGPKLUWDLB-BEFAXECRSA-N 2 1 359.901 3.607 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NC1CCC([NH3+])CC1)C1CCCCC1 ZINC000414707286 943343365 /nfs/dbraw/zinc/34/33/65/943343365.db2.gz HNVNJWSALBPUBY-UHFFFAOYSA-N 2 1 358.530 3.843 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422969984 943353958 /nfs/dbraw/zinc/35/39/58/943353958.db2.gz VOAPKTXRZCYBKC-GOSISDBHSA-N 2 1 366.553 3.931 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C)C1CCCCC1 ZINC000414710520 943359212 /nfs/dbraw/zinc/35/92/12/943359212.db2.gz LDJQKHLNECKTBV-LJQANCHMSA-N 2 1 360.546 3.946 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000435369313 943362412 /nfs/dbraw/zinc/36/24/12/943362412.db2.gz DLATUAIRVDSAQY-BEFAXECRSA-N 2 1 350.466 3.610 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000435369313 943362417 /nfs/dbraw/zinc/36/24/17/943362417.db2.gz DLATUAIRVDSAQY-BEFAXECRSA-N 2 1 350.466 3.610 20 0 FHADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)c2ccccc21 ZINC000423007258 943362659 /nfs/dbraw/zinc/36/26/59/943362659.db2.gz XFEULIGQXBZECN-ROUUACIJSA-N 2 1 350.384 4.000 20 0 FHADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)c2ccccc21 ZINC000423007259 943363042 /nfs/dbraw/zinc/36/30/42/943363042.db2.gz XFEULIGQXBZECN-ZWKOTPCHSA-N 2 1 350.384 4.000 20 0 FHADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000414711763 943365582 /nfs/dbraw/zinc/36/55/82/943365582.db2.gz MXZKTSIIFFTEIV-APWZRJJASA-N 2 1 358.530 3.652 20 0 FHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCc1cccs1 ZINC000435378123 943366563 /nfs/dbraw/zinc/36/65/63/943366563.db2.gz CCJIJXCSCRHHAG-SZMVWBNQSA-N 2 1 358.507 3.505 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000435380340 943369000 /nfs/dbraw/zinc/36/90/00/943369000.db2.gz NSJODFOTVSYCID-DLBZAZTESA-N 2 1 350.466 3.610 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000435381698 943369566 /nfs/dbraw/zinc/36/95/66/943369566.db2.gz VITGFUUEAUXWGD-LSTHTHJFSA-N 2 1 369.896 3.761 20 0 FHADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022895 943369708 /nfs/dbraw/zinc/36/97/08/943369708.db2.gz IMYLTRKAPRGFRW-BMIPRAEKSA-N 2 1 353.913 3.592 20 0 FHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000435396041 943390361 /nfs/dbraw/zinc/39/03/61/943390361.db2.gz UGLMYPICIZVDHK-AUUYWEPGSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000435396041 943390369 /nfs/dbraw/zinc/39/03/69/943390369.db2.gz UGLMYPICIZVDHK-AUUYWEPGSA-N 2 1 357.885 3.761 20 0 FHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423090468 943391125 /nfs/dbraw/zinc/39/11/25/943391125.db2.gz XRDQLZXJNLJWEW-SEEUUAMPSA-N 2 1 361.496 3.692 20 0 FHADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000423122569 943397011 /nfs/dbraw/zinc/39/70/11/943397011.db2.gz KAIPUXBCPBOAKT-CBPXPLCBSA-N 2 1 359.558 3.587 20 0 FHADMP COc1ccc([C@@H](C)C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436948 943416658 /nfs/dbraw/zinc/41/66/58/943416658.db2.gz HOORTFXOGVJAAJ-LPHOPBHVSA-N 2 1 371.550 3.900 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(OC(F)(F)F)cc1 ZINC000423183342 943419285 /nfs/dbraw/zinc/41/92/85/943419285.db2.gz GKUMSSMBJZIMPL-CQSZACIVSA-N 2 1 353.388 3.811 20 0 FHADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000423167795 943424398 /nfs/dbraw/zinc/42/43/98/943424398.db2.gz XFPOUZBSJVMSNM-XFQAVAEZSA-N 2 1 374.406 3.937 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)cc1 ZINC000514972894 943425304 /nfs/dbraw/zinc/42/53/04/943425304.db2.gz NLVWTMLBINTFEG-DFNIBXOVSA-N 2 1 368.477 3.790 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)cc1 ZINC000514972894 943425309 /nfs/dbraw/zinc/42/53/09/943425309.db2.gz NLVWTMLBINTFEG-DFNIBXOVSA-N 2 1 368.477 3.790 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)cc1 ZINC000514972894 943425311 /nfs/dbraw/zinc/42/53/11/943425311.db2.gz NLVWTMLBINTFEG-DFNIBXOVSA-N 2 1 368.477 3.790 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1 ZINC000514972894 943425314 /nfs/dbraw/zinc/42/53/14/943425314.db2.gz NLVWTMLBINTFEG-DFNIBXOVSA-N 2 1 368.477 3.790 20 0 FHADMP Clc1ccccc1C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H]1CCCO1 ZINC000423188266 943435235 /nfs/dbraw/zinc/43/52/35/943435235.db2.gz NIHFNWDNWFNOEP-NHCUHLMSSA-N 2 1 373.928 3.595 20 0 FHADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187094 943435252 /nfs/dbraw/zinc/43/52/52/943435252.db2.gz LSYRISPSBZXBLS-LEWJYISDSA-N 2 1 353.510 3.535 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)[C@H](C)c1nc2ccccc2s1 ZINC000423190668 943435860 /nfs/dbraw/zinc/43/58/60/943435860.db2.gz RIUAKWGEVCZLGC-JKSUJKDBSA-N 2 1 354.523 3.953 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423250435 943459341 /nfs/dbraw/zinc/45/93/41/943459341.db2.gz VAJOPQYMCZCBHM-YSZBQJHXSA-N 2 1 366.553 3.705 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCCc2cccnc2)cc1 ZINC000423317927 943473813 /nfs/dbraw/zinc/47/38/13/943473813.db2.gz BFVDKWWCDUJDDZ-VOQZNFBZSA-N 2 1 353.510 3.537 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000515063757 943482402 /nfs/dbraw/zinc/48/24/02/943482402.db2.gz ZJJQNGJUMVSYEZ-WOJBJXKFSA-N 2 1 360.505 3.823 20 0 FHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423337876 943484009 /nfs/dbraw/zinc/48/40/09/943484009.db2.gz UHQYUSLPHHZJRY-HXUWFJFHSA-N 2 1 359.558 3.683 20 0 FHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000584728121 943487568 /nfs/dbraw/zinc/48/75/68/943487568.db2.gz CKIVEPYKSVSJIH-UHFFFAOYSA-N 2 1 351.498 3.596 20 0 FHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000584728121 943487572 /nfs/dbraw/zinc/48/75/72/943487572.db2.gz CKIVEPYKSVSJIH-UHFFFAOYSA-N 2 1 351.498 3.596 20 0 FHADMP CC1CC[NH+](CCC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)c2ccc(F)cc2)CC1 ZINC000423402586 943507618 /nfs/dbraw/zinc/50/76/18/943507618.db2.gz RJDPIPRLZLLGKD-QIJUGHKUSA-N 2 1 361.549 3.967 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000423404413 943508042 /nfs/dbraw/zinc/50/80/42/943508042.db2.gz IMMMBNABEVJRIB-OOGWUDDOSA-N 2 1 363.505 3.632 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3C[C@H]3c3cccs3)CC2)nc(C)[nH+]1 ZINC000417313834 943509664 /nfs/dbraw/zinc/50/96/64/943509664.db2.gz QCSBHCUZOJSOSM-FHLIZLRMSA-N 2 1 356.539 3.906 20 0 FHADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423465316 943523143 /nfs/dbraw/zinc/52/31/43/943523143.db2.gz HQTMKGSCOMOJCU-OXFYSEKESA-N 2 1 372.484 3.887 20 0 FHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148396 943524069 /nfs/dbraw/zinc/52/40/69/943524069.db2.gz VWCPJVLTDHESQK-ICSRJNTNSA-N 2 1 374.573 3.502 20 0 FHADMP CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435627844 943527025 /nfs/dbraw/zinc/52/70/25/943527025.db2.gz OYXNAPKVWZFRAR-ZDUSSCGKSA-N 2 1 358.313 3.786 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000423499889 943529743 /nfs/dbraw/zinc/52/97/43/943529743.db2.gz BOFVFJMQDMQEQJ-JSRJAPPDSA-N 2 1 355.570 3.693 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000423506411 943531831 /nfs/dbraw/zinc/53/18/31/943531831.db2.gz IVFINUFYMSHKCP-NWLLBJEDSA-N 2 1 364.537 3.616 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000423509651 943532853 /nfs/dbraw/zinc/53/28/53/943532853.db2.gz LRRONOVOQUKSHC-TZYSRNFLSA-N 2 1 356.341 3.860 20 0 FHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423490164 943534944 /nfs/dbraw/zinc/53/49/44/943534944.db2.gz YHTLKURMZZPCKC-FUHWJXTLSA-N 2 1 365.855 3.853 20 0 FHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528435 943538446 /nfs/dbraw/zinc/53/84/46/943538446.db2.gz ODMAFCJXLNWHNH-ADCGCKIBSA-N 2 1 353.554 3.565 20 0 FHADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528435 943538449 /nfs/dbraw/zinc/53/84/49/943538449.db2.gz ODMAFCJXLNWHNH-ADCGCKIBSA-N 2 1 353.554 3.565 20 0 FHADMP COc1ccc2oc([C@@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)c(C)c2c1 ZINC000423519581 943544201 /nfs/dbraw/zinc/54/42/01/943544201.db2.gz QBYPQMXRTGAGSH-WWDZGPRUSA-N 2 1 371.525 3.617 20 0 FHADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423522672 943545585 /nfs/dbraw/zinc/54/55/85/943545585.db2.gz VETMHMGSLAOXIG-AJSBUHFISA-N 3 1 351.538 3.967 20 0 FHADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423522672 943545590 /nfs/dbraw/zinc/54/55/90/943545590.db2.gz VETMHMGSLAOXIG-AJSBUHFISA-N 2 1 351.538 3.967 20 0 FHADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523005 943545934 /nfs/dbraw/zinc/54/59/34/943545934.db2.gz VETMHMGSLAOXIG-VJBMBRPKSA-N 3 1 351.538 3.967 20 0 FHADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423523005 943545943 /nfs/dbraw/zinc/54/59/43/943545943.db2.gz VETMHMGSLAOXIG-VJBMBRPKSA-N 2 1 351.538 3.967 20 0 FHADMP C[C@H]1CCSCC[NH+]1Cc1cncc(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000584761157 943547600 /nfs/dbraw/zinc/54/76/00/943547600.db2.gz HJUFUDQIOHLHAI-IRXDYDNUSA-N 2 1 365.612 3.736 20 0 FHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000423572193 943560117 /nfs/dbraw/zinc/56/01/17/943560117.db2.gz ODRKZRGWXNPRRD-QGZVFWFLSA-N 2 1 357.929 3.984 20 0 FHADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753019 943574037 /nfs/dbraw/zinc/57/40/37/943574037.db2.gz CXLVJBGVKPAWTB-DVOMOZLQSA-N 2 1 353.304 3.593 20 0 FHADMP c1ccc(N2CCOCC2)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016787 943612999 /nfs/dbraw/zinc/61/29/99/943612999.db2.gz AFPLHVZVYAQDFC-OAQYLSRUSA-N 2 1 371.569 3.611 20 0 FHADMP c1ccc(N2CCOCC2)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016787 943613000 /nfs/dbraw/zinc/61/30/00/943613000.db2.gz AFPLHVZVYAQDFC-OAQYLSRUSA-N 2 1 371.569 3.611 20 0 FHADMP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c2)cc1 ZINC000414771643 943700569 /nfs/dbraw/zinc/70/05/69/943700569.db2.gz ACXVXWCZYYLSBQ-JOCHJYFZSA-N 2 1 350.506 3.849 20 0 FHADMP CC1(C)C[N@@H+](Cc2cnccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584825257 943706328 /nfs/dbraw/zinc/70/63/28/943706328.db2.gz WGWJRBUGWSLHRH-OAQYLSRUSA-N 2 1 350.510 3.599 20 0 FHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414775046 943744446 /nfs/dbraw/zinc/74/44/46/943744446.db2.gz ZDHAXWCRUWWYEM-HDICACEKSA-N 2 1 352.526 3.601 20 0 FHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424143967 943750342 /nfs/dbraw/zinc/75/03/42/943750342.db2.gz KLJRPMHTXSVAKH-RBUKOAKNSA-N 2 1 360.546 3.687 20 0 FHADMP [NH3+][C@H](CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178777 943762440 /nfs/dbraw/zinc/76/24/40/943762440.db2.gz WVISLVKNSCUXSR-SBHAEUEKSA-N 2 1 361.574 3.540 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc12 ZINC000894287961 943771372 /nfs/dbraw/zinc/77/13/72/943771372.db2.gz MSQUECVAKRKAKG-QAPCUYQASA-N 2 1 356.495 3.765 20 0 FHADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc12 ZINC000894287961 943771374 /nfs/dbraw/zinc/77/13/74/943771374.db2.gz MSQUECVAKRKAKG-QAPCUYQASA-N 2 1 356.495 3.765 20 0 FHADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777387 943784355 /nfs/dbraw/zinc/78/43/55/943784355.db2.gz IGDBOFPNVOTSDB-JKSUJKDBSA-N 2 1 358.917 3.562 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000424230666 943795335 /nfs/dbraw/zinc/79/53/35/943795335.db2.gz BGWJSXFLEGOCEW-HXUWFJFHSA-N 2 1 355.457 3.586 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000424230666 943795341 /nfs/dbraw/zinc/79/53/41/943795341.db2.gz BGWJSXFLEGOCEW-HXUWFJFHSA-N 2 1 355.457 3.586 20 0 FHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278655 943833312 /nfs/dbraw/zinc/83/33/12/943833312.db2.gz DSTJAXJOOCUCMG-UZLBHIALSA-N 2 1 352.457 3.592 20 0 FHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278655 943833316 /nfs/dbraw/zinc/83/33/16/943833316.db2.gz DSTJAXJOOCUCMG-UZLBHIALSA-N 2 1 352.457 3.592 20 0 FHADMP COc1cccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424301919 943851482 /nfs/dbraw/zinc/85/14/82/943851482.db2.gz YIBPAYSPRIJIKQ-HNNXBMFYSA-N 2 1 357.523 3.783 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784199 943866803 /nfs/dbraw/zinc/86/68/03/943866803.db2.gz QWWMIIQAICVBMO-IAGOWNOFSA-N 2 1 358.917 3.656 20 0 FHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970781 943871641 /nfs/dbraw/zinc/87/16/41/943871641.db2.gz BIGBHJXFFSQAMZ-KBPBESRZSA-N 2 1 370.324 3.644 20 0 FHADMP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000516983174 943888164 /nfs/dbraw/zinc/88/81/64/943888164.db2.gz RWXUMPPXQKCUHZ-SFHVURJKSA-N 2 1 360.299 3.919 20 0 FHADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4ccc(Br)cc43)C2)C1 ZINC000516983174 943888172 /nfs/dbraw/zinc/88/81/72/943888172.db2.gz RWXUMPPXQKCUHZ-SFHVURJKSA-N 2 1 360.299 3.919 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000424431711 943925532 /nfs/dbraw/zinc/92/55/32/943925532.db2.gz GJLYKFRNRXVKFS-MSOLQXFVSA-N 2 1 358.530 3.572 20 0 FHADMP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)s2)cc1 ZINC000414789325 943931137 /nfs/dbraw/zinc/93/11/37/943931137.db2.gz OCRLMLXIIDLBGT-SFHVURJKSA-N 2 1 356.535 3.911 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305042 943932510 /nfs/dbraw/zinc/93/25/10/943932510.db2.gz JQRRMIPWKZYDQZ-CRAIPNDOSA-N 2 1 372.525 3.784 20 0 FHADMP Cc1ncsc1C[N@H+](CCCOc1c(C)cccc1C)C[C@H]1CC[NH2+]C1 ZINC000436057970 943979093 /nfs/dbraw/zinc/97/90/93/943979093.db2.gz XAYHICDGPXGWBH-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP Cc1ncsc1C[N@@H+](CCCOc1c(C)cccc1C)C[C@H]1CC[NH2+]C1 ZINC000436057970 943979095 /nfs/dbraw/zinc/97/90/95/943979095.db2.gz XAYHICDGPXGWBH-IBGZPJMESA-N 2 1 373.566 3.949 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425460659 944005812 /nfs/dbraw/zinc/00/58/12/944005812.db2.gz SLESPOWFRRTAOI-LJQANCHMSA-N 2 1 371.569 3.981 20 0 FHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425462686 944010861 /nfs/dbraw/zinc/01/08/61/944010861.db2.gz WUTZRWRALQRZRZ-SFHVURJKSA-N 2 1 357.542 3.593 20 0 FHADMP Cc1cccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000364187644 944011117 /nfs/dbraw/zinc/01/11/17/944011117.db2.gz WUGPDUWEQDXORM-UHFFFAOYSA-N 2 1 371.569 3.572 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3cnc(C4CC4)nc3)CC23CC3)cc1 ZINC000517144106 944042710 /nfs/dbraw/zinc/04/27/10/944042710.db2.gz GUSOZYOCLKLCAM-OAQYLSRUSA-N 2 1 362.521 3.683 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3cnc(C4CC4)nc3)CC23CC3)cc1 ZINC000517144106 944042718 /nfs/dbraw/zinc/04/27/18/944042718.db2.gz GUSOZYOCLKLCAM-OAQYLSRUSA-N 2 1 362.521 3.683 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000500089982 944077512 /nfs/dbraw/zinc/07/75/12/944077512.db2.gz JESPQSMWKXJXEZ-UHFFFAOYSA-N 2 1 357.586 3.890 20 0 FHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000414810200 944084927 /nfs/dbraw/zinc/08/49/27/944084927.db2.gz UYVIFRVCPOERAJ-SFHVURJKSA-N 2 1 360.885 3.755 20 0 FHADMP Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc21 ZINC000436239120 944126078 /nfs/dbraw/zinc/12/60/78/944126078.db2.gz LGNOASXITKWBCY-SFHVURJKSA-N 2 1 351.469 3.961 20 0 FHADMP Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000418082333 944137793 /nfs/dbraw/zinc/13/77/93/944137793.db2.gz XBKKUAHSLPFVJI-QFIPXVFZSA-N 2 1 366.553 3.851 20 0 FHADMP COCCC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCCCC1 ZINC000436279242 944159157 /nfs/dbraw/zinc/15/91/57/944159157.db2.gz IMYVFYKUQOHZTA-FQEVSTJZSA-N 2 1 374.569 3.984 20 0 FHADMP COCCC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCCCC1 ZINC000436279242 944159163 /nfs/dbraw/zinc/15/91/63/944159163.db2.gz IMYVFYKUQOHZTA-FQEVSTJZSA-N 2 1 374.569 3.984 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436293342 944178917 /nfs/dbraw/zinc/17/89/17/944178917.db2.gz MJZYSIOUEZIURE-OIBXWCBGSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293342 944178919 /nfs/dbraw/zinc/17/89/19/944178919.db2.gz MJZYSIOUEZIURE-OIBXWCBGSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293342 944178922 /nfs/dbraw/zinc/17/89/22/944178922.db2.gz MJZYSIOUEZIURE-OIBXWCBGSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436293357 944179176 /nfs/dbraw/zinc/17/91/76/944179176.db2.gz MJZYSIOUEZIURE-WTIAFYNJSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293357 944179178 /nfs/dbraw/zinc/17/91/78/944179178.db2.gz MJZYSIOUEZIURE-WTIAFYNJSA-N 2 1 370.585 3.679 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293357 944179180 /nfs/dbraw/zinc/17/91/80/944179180.db2.gz MJZYSIOUEZIURE-WTIAFYNJSA-N 2 1 370.585 3.679 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(SC)cc2)[C@H](C)C1 ZINC000436302540 944186256 /nfs/dbraw/zinc/18/62/56/944186256.db2.gz AYONEOMBDLSUHB-YLJYHZDGSA-N 2 1 350.572 3.678 20 0 FHADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882034 944222016 /nfs/dbraw/zinc/22/20/16/944222016.db2.gz BJIYYFRKBLVDJS-KZULUSFZSA-N 2 1 363.299 3.697 20 0 FHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nccn1-c1ccccc1 ZINC000515828729 944246585 /nfs/dbraw/zinc/24/65/85/944246585.db2.gz DVOHHYVESPVWOG-NYDSKATKSA-N 2 1 374.488 3.779 20 0 FHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475566 944294210 /nfs/dbraw/zinc/29/42/10/944294210.db2.gz XZNSFMYGKUOVDR-LEWJYISDSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOCCOc2ccccc2)C1 ZINC000506475566 944294216 /nfs/dbraw/zinc/29/42/16/944294216.db2.gz XZNSFMYGKUOVDR-LEWJYISDSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000506475566 944294220 /nfs/dbraw/zinc/29/42/20/944294220.db2.gz XZNSFMYGKUOVDR-LEWJYISDSA-N 2 1 360.542 3.668 20 0 FHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000506475566 944294225 /nfs/dbraw/zinc/29/42/25/944294225.db2.gz XZNSFMYGKUOVDR-LEWJYISDSA-N 2 1 360.542 3.668 20 0 FHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000473736579 944312849 /nfs/dbraw/zinc/31/28/49/944312849.db2.gz BEZSNWOCRXWPNS-NQIIRXRSSA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000473736579 944312856 /nfs/dbraw/zinc/31/28/56/944312856.db2.gz BEZSNWOCRXWPNS-NQIIRXRSSA-N 2 1 374.573 3.591 20 0 FHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000473736579 944312865 /nfs/dbraw/zinc/31/28/65/944312865.db2.gz BEZSNWOCRXWPNS-NQIIRXRSSA-N 2 1 374.573 3.591 20 0 FHADMP COc1cc2[nH+]c(NCCC[N@@H+]3CCCC[C@H]3C)ccc2c(OC)c1OC ZINC001167750774 944333394 /nfs/dbraw/zinc/33/33/94/944333394.db2.gz BRCLHJOACGXZID-OAHLLOKOSA-N 2 1 373.497 3.937 20 0 FHADMP COc1cc2[nH+]c(NCCC[N@H+]3CCCC[C@H]3C)ccc2c(OC)c1OC ZINC001167750774 944333401 /nfs/dbraw/zinc/33/34/01/944333401.db2.gz BRCLHJOACGXZID-OAHLLOKOSA-N 2 1 373.497 3.937 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001167751365 944342329 /nfs/dbraw/zinc/34/23/29/944342329.db2.gz HUUMZDYDIIYSCF-KRWDZBQOSA-N 2 1 351.498 3.673 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001167751365 944342337 /nfs/dbraw/zinc/34/23/37/944342337.db2.gz HUUMZDYDIIYSCF-KRWDZBQOSA-N 2 1 351.498 3.673 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)on1 ZINC000518393073 944347717 /nfs/dbraw/zinc/34/77/17/944347717.db2.gz JFRKHDDKMDXTSY-GOEBONIOSA-N 2 1 351.450 3.815 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)on1 ZINC000518393073 944347726 /nfs/dbraw/zinc/34/77/26/944347726.db2.gz JFRKHDDKMDXTSY-GOEBONIOSA-N 2 1 351.450 3.815 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413322 944359999 /nfs/dbraw/zinc/35/99/99/944359999.db2.gz XXMMDMQUVNAXON-ZLNRFVROSA-N 3 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413322 944360004 /nfs/dbraw/zinc/36/00/04/944360004.db2.gz XXMMDMQUVNAXON-ZLNRFVROSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413322 944360010 /nfs/dbraw/zinc/36/00/10/944360010.db2.gz XXMMDMQUVNAXON-ZLNRFVROSA-N 2 1 355.570 3.881 20 0 FHADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413322 944360014 /nfs/dbraw/zinc/36/00/14/944360014.db2.gz XXMMDMQUVNAXON-ZLNRFVROSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1c[nH+]c2cccc(Br)n12 ZINC001167753209 944370724 /nfs/dbraw/zinc/37/07/24/944370724.db2.gz MMCCKFKMUGYQPE-ZDUSSCGKSA-N 2 1 351.292 3.773 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000517530619 944377686 /nfs/dbraw/zinc/37/76/86/944377686.db2.gz UIFYTQRPRSZJGF-NRFANRHFSA-N 2 1 363.590 3.661 20 0 FHADMP C[C@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2c(Br)cccn12 ZINC001167754599 944381131 /nfs/dbraw/zinc/38/11/31/944381131.db2.gz ZPGXZQNEHHXNMB-ZDUSSCGKSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCNc1c[nH+]c2c(Br)cccn12 ZINC001167754599 944381136 /nfs/dbraw/zinc/38/11/36/944381136.db2.gz ZPGXZQNEHHXNMB-ZDUSSCGKSA-N 2 1 351.292 3.773 20 0 FHADMP C[C@@]1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312686327 944417593 /nfs/dbraw/zinc/41/75/93/944417593.db2.gz PWJLKTMOCHZKQG-QHCPKHFHSA-N 2 1 360.505 3.874 20 0 FHADMP C[C@]1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312686326 944417873 /nfs/dbraw/zinc/41/78/73/944417873.db2.gz PWJLKTMOCHZKQG-HSZRJFAPSA-N 2 1 360.505 3.874 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323834 944459520 /nfs/dbraw/zinc/45/95/20/944459520.db2.gz DGVONTGFGQKCKM-WMLDXEAASA-N 2 1 351.332 3.801 20 0 FHADMP CC(C)c1[nH+]c(CNCC2([NH+]3CCCCC3)CCOCC2)c2ccccn21 ZINC000516074486 944466847 /nfs/dbraw/zinc/46/68/47/944466847.db2.gz RGZQVLREZWMFST-UHFFFAOYSA-N 2 1 370.541 3.582 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000390602155 944544338 /nfs/dbraw/zinc/54/43/38/944544338.db2.gz USDZRLIQDZWZEK-QFIPXVFZSA-N 2 1 366.505 3.848 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000390602155 944544348 /nfs/dbraw/zinc/54/43/48/944544348.db2.gz USDZRLIQDZWZEK-QFIPXVFZSA-N 2 1 366.505 3.848 20 0 FHADMP c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270472 944649094 /nfs/dbraw/zinc/64/90/94/944649094.db2.gz RNRWPVQUQMQFDM-QFIPXVFZSA-N 2 1 350.506 3.705 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000506884633 944703041 /nfs/dbraw/zinc/70/30/41/944703041.db2.gz LFQJYCJHBMANSD-UHFFFAOYSA-N 2 1 355.320 3.709 20 0 FHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(Cl)c1 ZINC000414933244 944719595 /nfs/dbraw/zinc/71/95/95/944719595.db2.gz UFVJBRZLNYWSHZ-RHSMWYFYSA-N 2 1 351.922 3.733 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518760100 944726333 /nfs/dbraw/zinc/72/63/33/944726333.db2.gz OUMSMDURGBLYSL-UNMCSNQZSA-N 2 1 371.569 3.527 20 0 FHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000518760100 944726339 /nfs/dbraw/zinc/72/63/39/944726339.db2.gz OUMSMDURGBLYSL-UNMCSNQZSA-N 2 1 371.569 3.527 20 0 FHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518760100 944726340 /nfs/dbraw/zinc/72/63/40/944726340.db2.gz OUMSMDURGBLYSL-UNMCSNQZSA-N 2 1 371.569 3.527 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438576227 944794271 /nfs/dbraw/zinc/79/42/71/944794271.db2.gz LYEFSFZLBVGSLL-NRFANRHFSA-N 2 1 357.542 3.550 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438576227 944794277 /nfs/dbraw/zinc/79/42/77/944794277.db2.gz LYEFSFZLBVGSLL-NRFANRHFSA-N 2 1 357.542 3.550 20 0 FHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438576227 944794282 /nfs/dbraw/zinc/79/42/82/944794282.db2.gz LYEFSFZLBVGSLL-NRFANRHFSA-N 2 1 357.542 3.550 20 0 FHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516386714 944803985 /nfs/dbraw/zinc/80/39/85/944803985.db2.gz IPTLHXWMKNYXBW-QFIPXVFZSA-N 2 1 371.569 3.527 20 0 FHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000195173975 944819655 /nfs/dbraw/zinc/81/96/55/944819655.db2.gz KWHCAMWDKANJKO-RXVVDRJESA-N 2 1 365.562 3.584 20 0 FHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000439678672 944862076 /nfs/dbraw/zinc/86/20/76/944862076.db2.gz CYLZZBBCNGZRNM-OAQYLSRUSA-N 2 1 357.542 3.523 20 0 FHADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665303 944894458 /nfs/dbraw/zinc/89/44/58/944894458.db2.gz JCDYWOYCSWMOAO-OAQYLSRUSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665303 944894466 /nfs/dbraw/zinc/89/44/66/944894466.db2.gz JCDYWOYCSWMOAO-OAQYLSRUSA-N 2 1 371.569 3.669 20 0 FHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665303 944894471 /nfs/dbraw/zinc/89/44/71/944894471.db2.gz JCDYWOYCSWMOAO-OAQYLSRUSA-N 2 1 371.569 3.669 20 0 FHADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000505925385 944899337 /nfs/dbraw/zinc/89/93/37/944899337.db2.gz SEQMEZBPWNHIEF-NJDAHSKKSA-N 2 1 363.590 3.610 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414939873 944902289 /nfs/dbraw/zinc/90/22/89/944902289.db2.gz BHCDCCIQFJQECC-RNCFNFMXSA-N 2 1 351.210 3.698 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000414895993 944937774 /nfs/dbraw/zinc/93/77/74/944937774.db2.gz AIQVXBSAVJMDRR-INIZCTEOSA-N 2 1 369.513 3.646 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000414896042 944939176 /nfs/dbraw/zinc/93/91/76/944939176.db2.gz AULBEESEQQLNHA-VQIMIIECSA-N 2 1 369.513 3.646 20 0 FHADMP CC1([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414947863 944993969 /nfs/dbraw/zinc/99/39/69/944993969.db2.gz XGPVLFNXNFRJPZ-UHFFFAOYSA-N 2 1 351.210 3.700 20 0 FHADMP c1ccc(CCCO[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000518989702 945018552 /nfs/dbraw/zinc/01/85/52/945018552.db2.gz ZRIBHQWWFHWWDT-QHCPKHFHSA-N 2 1 350.506 3.556 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[NH2+]1 ZINC000414952426 945024527 /nfs/dbraw/zinc/02/45/27/945024527.db2.gz QSELFSHZHVGEFZ-MWLCHTKSSA-N 2 1 367.209 3.578 20 0 FHADMP FC1(F)Oc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c2O1 ZINC001167965373 945036558 /nfs/dbraw/zinc/03/65/58/945036558.db2.gz CXJQTHOPPYZILM-MQVJKMGUSA-N 2 1 350.409 3.503 20 0 FHADMP FC1(F)Oc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2O1 ZINC001167965373 945036562 /nfs/dbraw/zinc/03/65/62/945036562.db2.gz CXJQTHOPPYZILM-MQVJKMGUSA-N 2 1 350.409 3.503 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC[NH2+]1 ZINC000414957225 945061618 /nfs/dbraw/zinc/06/16/18/945061618.db2.gz VXVVQBJHPMUOGG-BXUZGUMPSA-N 2 1 366.328 3.803 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC[NH2+]1 ZINC000414957229 945061894 /nfs/dbraw/zinc/06/18/94/945061894.db2.gz VXVVQBJHPMUOGG-RISCZKNCSA-N 2 1 366.328 3.803 20 0 FHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000660674801 945383411 /nfs/dbraw/zinc/38/34/11/945383411.db2.gz JPSLGQMZYWYYSO-UHFFFAOYSA-N 2 1 371.912 3.923 20 0 FHADMP Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000660748837 945456794 /nfs/dbraw/zinc/45/67/94/945456794.db2.gz BCLKUFGAHMOJCJ-UHFFFAOYSA-N 2 1 354.498 3.501 20 0 FHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280975163 945485073 /nfs/dbraw/zinc/48/50/73/945485073.db2.gz VSOGLVGYMXMPMJ-DHIUTWEWSA-N 2 1 365.521 3.669 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663454 /nfs/dbraw/zinc/66/34/54/945663454.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663466 /nfs/dbraw/zinc/66/34/66/945663466.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663470 /nfs/dbraw/zinc/66/34/70/945663470.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 3 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663473 /nfs/dbraw/zinc/66/34/73/945663473.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663481 /nfs/dbraw/zinc/66/34/81/945663481.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663486 /nfs/dbraw/zinc/66/34/86/945663486.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663490 /nfs/dbraw/zinc/66/34/90/945663490.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663498 /nfs/dbraw/zinc/66/34/98/945663498.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663505 /nfs/dbraw/zinc/66/35/05/945663505.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 2 1 355.570 3.881 20 0 FHADMP COc1ccc(C[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000519765696 945721978 /nfs/dbraw/zinc/72/19/78/945721978.db2.gz WFKYTFLHHUIPBV-INIZCTEOSA-N 2 1 357.498 3.671 20 0 FHADMP COc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000519765696 945721982 /nfs/dbraw/zinc/72/19/82/945721982.db2.gz WFKYTFLHHUIPBV-INIZCTEOSA-N 2 1 357.498 3.671 20 0 FHADMP CCOC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167970806 945780400 /nfs/dbraw/zinc/78/04/00/945780400.db2.gz NQSTWGKJKARQEY-OTYNDTSQSA-N 2 1 356.510 3.676 20 0 FHADMP CCOC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167970806 945780406 /nfs/dbraw/zinc/78/04/06/945780406.db2.gz NQSTWGKJKARQEY-OTYNDTSQSA-N 2 1 356.510 3.676 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000110913333 945782960 /nfs/dbraw/zinc/78/29/60/945782960.db2.gz JYCFKHIYDVMJPE-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@@H]21 ZINC000301659646 945898561 /nfs/dbraw/zinc/89/85/61/945898561.db2.gz CCJOHLLWRBBZQP-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(Br)ccc43)CC[C@@H]21 ZINC000301659646 945898574 /nfs/dbraw/zinc/89/85/74/945898574.db2.gz CCJOHLLWRBBZQP-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000193067379 945967011 /nfs/dbraw/zinc/96/70/11/945967011.db2.gz IHHIRXGTANDKFV-BHIFYINESA-N 2 1 358.526 3.516 20 0 FHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000193067379 945967027 /nfs/dbraw/zinc/96/70/27/945967027.db2.gz IHHIRXGTANDKFV-BHIFYINESA-N 2 1 358.526 3.516 20 0 FHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000193067379 945967037 /nfs/dbraw/zinc/96/70/37/945967037.db2.gz IHHIRXGTANDKFV-BHIFYINESA-N 2 1 358.526 3.516 20 0 FHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000193067379 945967044 /nfs/dbraw/zinc/96/70/44/945967044.db2.gz IHHIRXGTANDKFV-BHIFYINESA-N 2 1 358.526 3.516 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000651809725 945997395 /nfs/dbraw/zinc/99/73/95/945997395.db2.gz FRSDVPMRFMQXSL-HXUWFJFHSA-N 2 1 352.526 3.653 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000520044836 946071092 /nfs/dbraw/zinc/07/10/92/946071092.db2.gz ZLASNJXNRVWQRA-FDYSRKEFSA-N 2 1 351.579 3.514 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825199 946075053 /nfs/dbraw/zinc/07/50/53/946075053.db2.gz FJCBFQKSRBRKSG-PGRDOPGGSA-N 2 1 369.553 3.724 20 0 FHADMP Cc1noc(C)c1C[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302095190 946118000 /nfs/dbraw/zinc/11/80/00/946118000.db2.gz RNLCGXBRRHKUEF-UHFFFAOYSA-N 2 1 350.466 3.779 20 0 FHADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661453289 946122924 /nfs/dbraw/zinc/12/29/24/946122924.db2.gz BNGWLOWSWTWTNM-DBXWQHBBSA-N 2 1 356.510 3.790 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000651884594 946149749 /nfs/dbraw/zinc/14/97/49/946149749.db2.gz LWFFRHNNBRVDAS-CKUXNOBLSA-N 2 1 364.533 3.506 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000651884594 946149755 /nfs/dbraw/zinc/14/97/55/946149755.db2.gz LWFFRHNNBRVDAS-CKUXNOBLSA-N 2 1 364.533 3.506 20 0 FHADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000655704356 946224452 /nfs/dbraw/zinc/22/44/52/946224452.db2.gz BLTGSUJYOYAEHW-HIFRSBDPSA-N 2 1 357.325 3.940 20 0 FHADMP Cc1nnc([C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)o1 ZINC000639726250 946270818 /nfs/dbraw/zinc/27/08/18/946270818.db2.gz VCLDVFVGRJCSNA-QGZVFWFLSA-N 2 1 354.498 3.817 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930401 946305078 /nfs/dbraw/zinc/30/50/78/946305078.db2.gz RCUNELHRPLQIGI-YADHBBJMSA-N 2 1 354.538 3.978 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H](C3CC3)C3CCOCC3)CC23CC3)cc1 ZINC000651930401 946305088 /nfs/dbraw/zinc/30/50/88/946305088.db2.gz RCUNELHRPLQIGI-YADHBBJMSA-N 2 1 354.538 3.978 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252904 946348389 /nfs/dbraw/zinc/34/83/89/946348389.db2.gz KHVKOWIGHKQKFS-BAGYTPMASA-N 2 1 374.569 3.937 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1(C)C ZINC000441337611 946444019 /nfs/dbraw/zinc/44/40/19/946444019.db2.gz RAGHJSPZCIIPFP-UHFFFAOYSA-N 2 1 361.530 3.670 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000047978607 946473581 /nfs/dbraw/zinc/47/35/81/946473581.db2.gz JMUUWOUJNHGGDP-UHFFFAOYSA-N 2 1 371.447 3.698 20 0 FHADMP C[C@H](OC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363688 946509711 /nfs/dbraw/zinc/50/97/11/946509711.db2.gz KBPDXUVWWCEBHP-FFZOFVMBSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000441363688 946509723 /nfs/dbraw/zinc/50/97/23/946509723.db2.gz KBPDXUVWWCEBHP-FFZOFVMBSA-N 2 1 368.949 3.585 20 0 FHADMP C[C@H](OC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000441363688 946509731 /nfs/dbraw/zinc/50/97/31/946509731.db2.gz KBPDXUVWWCEBHP-FFZOFVMBSA-N 2 1 368.949 3.585 20 0 FHADMP CC[N@@H+](CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237591 946516792 /nfs/dbraw/zinc/51/67/92/946516792.db2.gz UPIGDBUZTUSFOJ-NFBKMPQASA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@H+](CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237591 946516797 /nfs/dbraw/zinc/51/67/97/946516797.db2.gz UPIGDBUZTUSFOJ-NFBKMPQASA-N 2 1 372.601 3.926 20 0 FHADMP CC[N@@H+](CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237591 946516803 /nfs/dbraw/zinc/51/68/03/946516803.db2.gz UPIGDBUZTUSFOJ-NFBKMPQASA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237591 946516805 /nfs/dbraw/zinc/51/68/05/946516805.db2.gz UPIGDBUZTUSFOJ-NFBKMPQASA-N 2 1 372.601 3.926 20 0 FHADMP CC[NH+](CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237591 946516812 /nfs/dbraw/zinc/51/68/12/946516812.db2.gz UPIGDBUZTUSFOJ-NFBKMPQASA-N 2 1 372.601 3.926 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475517989 946578419 /nfs/dbraw/zinc/57/84/19/946578419.db2.gz WWLQRHJVZGEUMU-JBYIUTFZSA-N 2 1 369.553 3.550 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CCC(n3cccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168057988 946594767 /nfs/dbraw/zinc/59/47/67/946594767.db2.gz ABWHGEIQSKBMHZ-HATOLVCRSA-N 2 1 352.526 3.962 20 0 FHADMP CCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000164510056 946597002 /nfs/dbraw/zinc/59/70/02/946597002.db2.gz CXCAVWOGXFOXPK-KRWDZBQOSA-N 2 1 352.482 3.979 20 0 FHADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000520428369 946616685 /nfs/dbraw/zinc/61/66/85/946616685.db2.gz RWMRMBOMMJQOOL-MRXNPFEDSA-N 2 1 350.466 3.861 20 0 FHADMP CCc1ccc([C@H](C)CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000523102030 946629672 /nfs/dbraw/zinc/62/96/72/946629672.db2.gz NTBUJTKRIOZPOR-QGZVFWFLSA-N 2 1 366.509 3.528 20 0 FHADMP Cc1ccccc1-n1nccc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475276744 946795868 /nfs/dbraw/zinc/79/58/68/946795868.db2.gz BQHVMISVIUOMOP-NRFANRHFSA-N 2 1 360.505 3.792 20 0 FHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475276744 946795874 /nfs/dbraw/zinc/79/58/74/946795874.db2.gz BQHVMISVIUOMOP-NRFANRHFSA-N 2 1 360.505 3.792 20 0 FHADMP Clc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000475280315 946800601 /nfs/dbraw/zinc/80/06/01/946800601.db2.gz PUFWVILDMZQNFB-QGZVFWFLSA-N 2 1 354.885 3.599 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1)C(C)C ZINC000112918736 946816499 /nfs/dbraw/zinc/81/64/99/946816499.db2.gz PSKFKPVZAJSTRI-UHFFFAOYSA-N 2 1 371.569 3.865 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346314 946871679 /nfs/dbraw/zinc/87/16/79/946871679.db2.gz YMKTYVRSSYYZGI-JOQOYGCGSA-N 2 1 373.324 3.591 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346313 946871848 /nfs/dbraw/zinc/87/18/48/946871848.db2.gz YMKTYVRSSYYZGI-JCKWVBRZSA-N 2 1 373.324 3.591 20 0 FHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000550380491 946883842 /nfs/dbraw/zinc/88/38/42/946883842.db2.gz YVQHPXJAFDENIN-UYAOXDASSA-N 2 1 351.579 3.656 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348642 946886749 /nfs/dbraw/zinc/88/67/49/946886749.db2.gz LRBCQKUDLMBHTN-XPNTWCBSSA-N 2 1 368.521 3.827 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348723 946887954 /nfs/dbraw/zinc/88/79/54/946887954.db2.gz OURZYOLRTFVGCG-SCTDSRPQSA-N 2 1 363.571 3.909 20 0 FHADMP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647976848 946890837 /nfs/dbraw/zinc/89/08/37/946890837.db2.gz VFCQZOUXJPHLSZ-CWRNSKLLSA-N 2 1 374.554 3.786 20 0 FHADMP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647976848 946890849 /nfs/dbraw/zinc/89/08/49/946890849.db2.gz VFCQZOUXJPHLSZ-CWRNSKLLSA-N 2 1 374.554 3.786 20 0 FHADMP c1ccc2c(c1)N(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC21CC[NH2+]CC1 ZINC001167995086 946891711 /nfs/dbraw/zinc/89/17/11/946891711.db2.gz VMHKLCDKSDCUCU-YOFSQIOKSA-N 2 1 351.538 3.533 20 0 FHADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364063 946932052 /nfs/dbraw/zinc/93/20/52/946932052.db2.gz WIILFSKEZCRRDM-JQHSSLGASA-N 2 1 361.511 3.572 20 0 FHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062126 946950845 /nfs/dbraw/zinc/95/08/45/946950845.db2.gz JCINGIRNVRELJD-HNJRGHQBSA-N 2 1 364.480 3.928 20 0 FHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062126 946950849 /nfs/dbraw/zinc/95/08/49/946950849.db2.gz JCINGIRNVRELJD-HNJRGHQBSA-N 2 1 364.480 3.928 20 0 FHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062126 946950855 /nfs/dbraw/zinc/95/08/55/946950855.db2.gz JCINGIRNVRELJD-HNJRGHQBSA-N 2 1 364.480 3.928 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+](C)CC[C@H]3CCCC[NH+]3C)n2)cc1F ZINC000475363590 946955663 /nfs/dbraw/zinc/95/56/63/946955663.db2.gz WNFDWPHCILRSIS-GOSISDBHSA-N 2 1 374.504 3.923 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+](C)CC[C@H]3CCCC[N@@H+]3C)n2)cc1F ZINC000475363590 946955667 /nfs/dbraw/zinc/95/56/67/946955667.db2.gz WNFDWPHCILRSIS-GOSISDBHSA-N 2 1 374.504 3.923 20 0 FHADMP Cc1ccc(-c2noc(CCC[NH+](C)CC[C@H]3CCCC[N@H+]3C)n2)cc1F ZINC000475363590 946955669 /nfs/dbraw/zinc/95/56/69/946955669.db2.gz WNFDWPHCILRSIS-GOSISDBHSA-N 2 1 374.504 3.923 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981741 /nfs/dbraw/zinc/98/17/41/946981741.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981747 /nfs/dbraw/zinc/98/17/47/946981747.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981751 /nfs/dbraw/zinc/98/17/51/946981751.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981755 /nfs/dbraw/zinc/98/17/55/946981755.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981759 /nfs/dbraw/zinc/98/17/59/946981759.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981764 /nfs/dbraw/zinc/98/17/64/946981764.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2CC[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981769 /nfs/dbraw/zinc/98/17/69/946981769.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 1 365.565 3.598 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796654752 946985841 /nfs/dbraw/zinc/98/58/41/946985841.db2.gz LERULOJYADRPIU-XYJFISCASA-N 2 1 364.534 3.595 20 0 FHADMP COC(=O)[C@]1(C)CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065466 947113940 /nfs/dbraw/zinc/11/39/40/947113940.db2.gz WOXWWGIFOVNMRP-BAYUQKDNSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@]1(C)CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065466 947113945 /nfs/dbraw/zinc/11/39/45/947113945.db2.gz WOXWWGIFOVNMRP-BAYUQKDNSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)[C@]1(C)CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065466 947113953 /nfs/dbraw/zinc/11/39/53/947113953.db2.gz WOXWWGIFOVNMRP-BAYUQKDNSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065425 947128232 /nfs/dbraw/zinc/12/82/32/947128232.db2.gz VROWRKWIJLJBQG-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065425 947128239 /nfs/dbraw/zinc/12/82/39/947128239.db2.gz VROWRKWIJLJBQG-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065425 947128249 /nfs/dbraw/zinc/12/82/49/947128249.db2.gz VROWRKWIJLJBQG-YHELAOLJSA-N 2 1 358.526 3.703 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000536302171 947194713 /nfs/dbraw/zinc/19/47/13/947194713.db2.gz KZHVXSMWPHPFPR-HNNXBMFYSA-N 2 1 354.679 3.885 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000536302173 947195243 /nfs/dbraw/zinc/19/52/43/947195243.db2.gz KZHVXSMWPHPFPR-OAHLLOKOSA-N 2 1 354.679 3.885 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536301684 947196819 /nfs/dbraw/zinc/19/68/19/947196819.db2.gz FWFADDCWKDTIER-KSSFIOAISA-N 2 1 357.325 3.807 20 0 FHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000247072897 947260907 /nfs/dbraw/zinc/26/09/07/947260907.db2.gz QHNLTEFHUFVQJA-QLFBSQMISA-N 2 1 374.447 3.967 20 0 FHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560039 947295778 /nfs/dbraw/zinc/29/57/78/947295778.db2.gz JFXJXDZAUFIUIL-FYQPLNBISA-N 2 1 371.569 3.803 20 0 FHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560039 947295789 /nfs/dbraw/zinc/29/57/89/947295789.db2.gz JFXJXDZAUFIUIL-FYQPLNBISA-N 2 1 371.569 3.803 20 0 FHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152838 947380326 /nfs/dbraw/zinc/38/03/26/947380326.db2.gz HUWJWYFDVBDVHQ-HXUWFJFHSA-N 2 1 368.521 3.658 20 0 FHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152838 947380339 /nfs/dbraw/zinc/38/03/39/947380339.db2.gz HUWJWYFDVBDVHQ-HXUWFJFHSA-N 2 1 368.521 3.658 20 0 FHADMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000127852157 947591056 /nfs/dbraw/zinc/59/10/56/947591056.db2.gz LGVLTSHSQQEINU-UHFFFAOYSA-N 2 1 353.510 3.872 20 0 FHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000523829243 947646553 /nfs/dbraw/zinc/64/65/53/947646553.db2.gz WPTTXKHNVCHSSZ-NRFANRHFSA-N 2 1 357.542 3.667 20 0 FHADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000523852318 947653369 /nfs/dbraw/zinc/65/33/69/947653369.db2.gz OUBNBEMPRUWEQY-ZWOKBUDYSA-N 2 1 361.574 3.771 20 0 FHADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251641 947674220 /nfs/dbraw/zinc/67/42/20/947674220.db2.gz HBEKNYPFGFYTSC-CXAGYDPISA-N 2 1 354.416 3.752 20 0 FHADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)C(=O)Nc1ccccc1 ZINC000662257903 947676494 /nfs/dbraw/zinc/67/64/94/947676494.db2.gz RGCKTYNECKHRJC-KRWDZBQOSA-N 2 1 351.494 3.572 20 0 FHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264587 947684336 /nfs/dbraw/zinc/68/43/36/947684336.db2.gz RIJUZZLELLXYAY-WBVHZDCISA-N 2 1 357.523 3.632 20 0 FHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274749 947698069 /nfs/dbraw/zinc/69/80/69/947698069.db2.gz WROCSANSXBNTON-QZTJIDSGSA-N 2 1 355.482 3.562 20 0 FHADMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294080 947716394 /nfs/dbraw/zinc/71/63/94/947716394.db2.gz OWGMXOVWCGXXFH-MAUKXSAKSA-N 2 1 370.497 3.518 20 0 FHADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000662315891 947744370 /nfs/dbraw/zinc/74/43/70/947744370.db2.gz VADOMPHENLVPFD-FUHIMQAGSA-N 2 1 363.521 3.575 20 0 FHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321762 947749027 /nfs/dbraw/zinc/74/90/27/947749027.db2.gz DAWPYLODMHIMJM-HXUWFJFHSA-N 2 1 372.557 3.558 20 0 FHADMP Fc1cccc(F)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327317 947759429 /nfs/dbraw/zinc/75/94/29/947759429.db2.gz NESHLJYFOUZWTL-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Fc1cccc(F)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327317 947759439 /nfs/dbraw/zinc/75/94/39/947759439.db2.gz NESHLJYFOUZWTL-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000189636200 947796267 /nfs/dbraw/zinc/79/62/67/947796267.db2.gz OTWNIVWHTCMRBK-MJGOQNOKSA-N 2 1 370.459 3.724 20 0 FHADMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346879 947814863 /nfs/dbraw/zinc/81/48/63/947814863.db2.gz WNWOYCJQPPGKBV-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346879 947814865 /nfs/dbraw/zinc/81/48/65/947814865.db2.gz WNWOYCJQPPGKBV-HNNXBMFYSA-N 2 1 367.331 3.669 20 0 FHADMP Clc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc2c1OCCCO2 ZINC000663347887 947818442 /nfs/dbraw/zinc/81/84/42/947818442.db2.gz ZFIXHTHCDZDAQB-MRXNPFEDSA-N 2 1 364.917 3.713 20 0 FHADMP Clc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc2c1OCCCO2 ZINC000663347887 947818448 /nfs/dbraw/zinc/81/84/48/947818448.db2.gz ZFIXHTHCDZDAQB-MRXNPFEDSA-N 2 1 364.917 3.713 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360432 947849963 /nfs/dbraw/zinc/84/99/63/947849963.db2.gz WNFTXPDZRXBIMX-UWJYYQICSA-N 2 1 371.550 3.774 20 0 FHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000662524244 947886945 /nfs/dbraw/zinc/88/69/45/947886945.db2.gz JGVBFPWRAJRJRK-GOSISDBHSA-N 2 1 370.522 3.692 20 0 FHADMP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1F ZINC000662698360 947989532 /nfs/dbraw/zinc/98/95/32/947989532.db2.gz KMDLJSXLOSTPNK-FQEVSTJZSA-N 2 1 373.447 3.979 20 0 FHADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467344 948055826 /nfs/dbraw/zinc/05/58/26/948055826.db2.gz DYMNARWPHQKAQB-OXQOHEQNSA-N 2 1 357.498 3.942 20 0 FHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663466974 948056835 /nfs/dbraw/zinc/05/68/35/948056835.db2.gz CIHBXWQEJZZYMD-PKOBYXMFSA-N 2 1 372.557 3.989 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469275 948059529 /nfs/dbraw/zinc/05/95/29/948059529.db2.gz PMCAOHIRVSFWFP-DOTOQJQBSA-N 2 1 363.933 3.769 20 0 FHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168001345 948063649 /nfs/dbraw/zinc/06/36/49/948063649.db2.gz ASAUQVQKDFXVIM-IZCSPVGOSA-N 2 1 374.569 3.837 20 0 FHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469866 948064614 /nfs/dbraw/zinc/06/46/14/948064614.db2.gz RGKCXVAMOGKZIR-XLIONFOSSA-N 2 1 352.526 3.953 20 0 FHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663470623 948066581 /nfs/dbraw/zinc/06/65/81/948066581.db2.gz VQNXCQRDRBSEKJ-QZTJIDSGSA-N 2 1 367.537 3.745 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001167825702 948126775 /nfs/dbraw/zinc/12/67/75/948126775.db2.gz SQGXETPEDCIUSD-OYNPSCLESA-N 2 1 352.563 3.545 20 0 FHADMP C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512009638 948177324 /nfs/dbraw/zinc/17/73/24/948177324.db2.gz QGDVDRAKDVUNFI-LBPRGKRZSA-N 2 1 368.344 3.688 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833698 948232050 /nfs/dbraw/zinc/23/20/50/948232050.db2.gz DKSZSKFDQABXPD-MSOLQXFVSA-N 2 1 355.567 3.828 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001167833712 948232093 /nfs/dbraw/zinc/23/20/93/948232093.db2.gz DIOOFQVKEHVFDK-YLJYHZDGSA-N 2 1 363.521 3.530 20 0 FHADMP c1ccc(CN2C[C@H]3[C@@H](CC[NH+]3C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002778 948274177 /nfs/dbraw/zinc/27/41/77/948274177.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@H]3[C@@H](CC[N@H+]3C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002778 948274186 /nfs/dbraw/zinc/27/41/86/948274186.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(CN2C[C@H]3[C@@H](CC[N@@H+]3C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002778 948274197 /nfs/dbraw/zinc/27/41/97/948274197.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](CCN3C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002778 948274206 /nfs/dbraw/zinc/27/42/06/948274206.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](CCN3C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002778 948274216 /nfs/dbraw/zinc/27/42/16/948274216.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](CCN3C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002778 948274227 /nfs/dbraw/zinc/27/42/27/948274227.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](CCN3C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002778 948274237 /nfs/dbraw/zinc/27/42/37/948274237.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 1 365.565 3.598 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834922 948275241 /nfs/dbraw/zinc/27/52/41/948275241.db2.gz NWGNWJHBGRIDRQ-PXNSSMCTSA-N 2 1 355.567 3.734 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1F ZINC000278957652 948336795 /nfs/dbraw/zinc/33/67/95/948336795.db2.gz MDTDTZAXCOVHGF-NWDGAFQWSA-N 2 1 352.251 3.698 20 0 FHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432407493 948346355 /nfs/dbraw/zinc/34/63/55/948346355.db2.gz MHWTZFXDSVOSBA-CVEARBPZSA-N 2 1 356.457 3.748 20 0 FHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432407493 948346365 /nfs/dbraw/zinc/34/63/65/948346365.db2.gz MHWTZFXDSVOSBA-CVEARBPZSA-N 2 1 356.457 3.748 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)cc1 ZINC000183142402 948349210 /nfs/dbraw/zinc/34/92/10/948349210.db2.gz COMUJWXHYKGCHB-IAGOWNOFSA-N 2 1 354.498 3.622 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410073 948355929 /nfs/dbraw/zinc/35/59/29/948355929.db2.gz LNKXVLGROSDIEK-WMLDXEAASA-N 2 1 371.447 3.568 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410073 948355936 /nfs/dbraw/zinc/35/59/36/948355936.db2.gz LNKXVLGROSDIEK-WMLDXEAASA-N 2 1 371.447 3.568 20 0 FHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000427601738 948360234 /nfs/dbraw/zinc/36/02/34/948360234.db2.gz BNSWHGZRBCAMQU-SFHVURJKSA-N 2 1 353.432 3.942 20 0 FHADMP CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413597 948361060 /nfs/dbraw/zinc/36/10/60/948361060.db2.gz NEVUSAWBAATCBH-DOTOQJQBSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413597 948361069 /nfs/dbraw/zinc/36/10/69/948361069.db2.gz NEVUSAWBAATCBH-DOTOQJQBSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413597 948361076 /nfs/dbraw/zinc/36/10/76/948361076.db2.gz NEVUSAWBAATCBH-DOTOQJQBSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000432413597 948361080 /nfs/dbraw/zinc/36/10/80/948361080.db2.gz NEVUSAWBAATCBH-DOTOQJQBSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414214 948367508 /nfs/dbraw/zinc/36/75/08/948367508.db2.gz JWBSKYANUOGHCC-CRAIPNDOSA-N 2 1 369.347 3.991 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005868 948544427 /nfs/dbraw/zinc/54/44/27/948544427.db2.gz KRJCLIDRUUTXSD-RMFSNUHRSA-N 2 1 366.505 3.989 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005868 948544428 /nfs/dbraw/zinc/54/44/28/948544428.db2.gz KRJCLIDRUUTXSD-RMFSNUHRSA-N 2 1 366.505 3.989 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177116 948656882 /nfs/dbraw/zinc/65/68/82/948656882.db2.gz FEZCZJFESBTGTF-CTNGQTDRSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177116 948656886 /nfs/dbraw/zinc/65/68/86/948656886.db2.gz FEZCZJFESBTGTF-CTNGQTDRSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177116 948656889 /nfs/dbraw/zinc/65/68/89/948656889.db2.gz FEZCZJFESBTGTF-CTNGQTDRSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000512177116 948656890 /nfs/dbraw/zinc/65/68/90/948656890.db2.gz FEZCZJFESBTGTF-CTNGQTDRSA-N 2 1 352.526 3.959 20 0 FHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C[C@@H](C)O1 ZINC000512181388 948700606 /nfs/dbraw/zinc/70/06/06/948700606.db2.gz BKLIAGFSWJJCGS-HUUCEWRRSA-N 2 1 354.897 3.800 20 0 FHADMP CC(C)n1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536484352 948728444 /nfs/dbraw/zinc/72/84/44/948728444.db2.gz CUKMKBRGNNTLOG-UHFFFAOYSA-N 2 1 352.526 3.952 20 0 FHADMP CC(C)n1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484352 948728451 /nfs/dbraw/zinc/72/84/51/948728451.db2.gz CUKMKBRGNNTLOG-UHFFFAOYSA-N 2 1 352.526 3.952 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)[C@@H]1c1cccnc1 ZINC000328641637 529794071 /nfs/dbraw/zinc/79/40/71/529794071.db2.gz QRCHQYCYRRJRQU-RXVVDRJESA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)[C@@H]1c1cccnc1 ZINC000328641637 529794072 /nfs/dbraw/zinc/79/40/72/529794072.db2.gz QRCHQYCYRRJRQU-RXVVDRJESA-N 2 1 351.494 3.578 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc(C)nc3C)CC2)cs1 ZINC000161778926 567967397 /nfs/dbraw/zinc/96/73/97/567967397.db2.gz WLEVILHWEPCNAF-CQSZACIVSA-N 2 1 373.570 3.675 20 0 FHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000188584620 567972253 /nfs/dbraw/zinc/97/22/53/567972253.db2.gz JODIPQLDIHULCH-LJQANCHMSA-N 2 1 374.573 3.544 20 0 FHADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667613 568014144 /nfs/dbraw/zinc/01/41/44/568014144.db2.gz QTFZORFPQHEUCS-TZIWHRDSSA-N 3 1 373.610 3.772 20 0 FHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667613 568014145 /nfs/dbraw/zinc/01/41/45/568014145.db2.gz QTFZORFPQHEUCS-TZIWHRDSSA-N 3 1 373.610 3.772 20 0 FHADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000563119970 568224770 /nfs/dbraw/zinc/22/47/70/568224770.db2.gz ODALRIHTDMDQAW-IBGZPJMESA-N 2 1 368.525 3.912 20 0 FHADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000563119970 568224771 /nfs/dbraw/zinc/22/47/71/568224771.db2.gz ODALRIHTDMDQAW-IBGZPJMESA-N 2 1 368.525 3.912 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1O ZINC000365243358 568355121 /nfs/dbraw/zinc/35/51/21/568355121.db2.gz QGUQRQZCPJLBMG-KRWDZBQOSA-N 2 1 369.509 3.684 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822476938 607014214 /nfs/dbraw/zinc/01/42/14/607014214.db2.gz AMGPBMBNOYZBCG-HUUCEWRRSA-N 2 1 373.464 3.773 20 0 FHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813054 720185681 /nfs/dbraw/zinc/18/56/81/720185681.db2.gz CDNICPMZQBLMLP-NZQKXSOJSA-N 2 1 365.521 3.728 20 0 FHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001164813054 720185708 /nfs/dbraw/zinc/18/57/08/720185708.db2.gz CDNICPMZQBLMLP-NZQKXSOJSA-N 2 1 365.521 3.728 20 0 FHADMP Cc1[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc2[nH]ccc21 ZINC001164955630 722020401 /nfs/dbraw/zinc/02/04/01/722020401.db2.gz LBWXHWBUNAOLOP-UHFFFAOYSA-N 2 1 361.493 3.759 20 0 FHADMP C[NH+](C)Cc1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995205 722210984 /nfs/dbraw/zinc/21/09/84/722210984.db2.gz HBTHSWUYRNCVCR-QFIPXVFZSA-N 2 1 368.500 3.527 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000511769826 945065361 /nfs/dbraw/zinc/06/53/61/945065361.db2.gz IDDIOQDDMVLMSE-AEFFLSMTSA-N 2 1 362.468 3.539 20 0 FHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772239 945068962 /nfs/dbraw/zinc/06/89/62/945068962.db2.gz UJZOIQUFTMNKBF-FPOVZHCZSA-N 2 1 371.569 3.668 20 0 FHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000579727967 927222877 /nfs/dbraw/zinc/22/28/77/927222877.db2.gz DDZKYYKMJIZCPP-UHFFFAOYSA-N 2 1 362.315 3.995 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118773599 927430792 /nfs/dbraw/zinc/43/07/92/927430792.db2.gz SRMWQIXFZPTZGD-KRWDZBQOSA-N 2 1 371.525 3.736 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@]3(C)CC(C)C)CC2)CC1 ZINC000655123237 928212546 /nfs/dbraw/zinc/21/25/46/928212546.db2.gz MLLXVKOPEHIONQ-QFIPXVFZSA-N 2 1 363.590 3.610 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000154538117 937232956 /nfs/dbraw/zinc/23/29/56/937232956.db2.gz IWEBLULFSOAWAO-OAQYLSRUSA-N 2 1 371.569 3.830 20 0 FHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C[N@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000579844481 928406172 /nfs/dbraw/zinc/40/61/72/928406172.db2.gz CAFAOEAKWZUECL-LPHOPBHVSA-N 2 1 366.509 3.767 20 0 FHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000579844481 928406178 /nfs/dbraw/zinc/40/61/78/928406178.db2.gz CAFAOEAKWZUECL-LPHOPBHVSA-N 2 1 366.509 3.767 20 0 FHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000583230553 937260242 /nfs/dbraw/zinc/26/02/42/937260242.db2.gz AHJWYPAGLJMDHT-UHFFFAOYSA-N 2 1 361.530 3.624 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154457244 928843442 /nfs/dbraw/zinc/84/34/42/928843442.db2.gz WHJQVQFZJXGXEZ-KRWDZBQOSA-N 2 1 369.500 3.665 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447274 928905159 /nfs/dbraw/zinc/90/51/59/928905159.db2.gz BENXUQJRKZGRLW-MJGOQNOKSA-N 2 1 353.510 3.973 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447274 928905171 /nfs/dbraw/zinc/90/51/71/928905171.db2.gz BENXUQJRKZGRLW-MJGOQNOKSA-N 2 1 353.510 3.973 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447274 928905178 /nfs/dbraw/zinc/90/51/78/928905178.db2.gz BENXUQJRKZGRLW-MJGOQNOKSA-N 2 1 353.510 3.973 20 0 FHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1c1cccn1C)C1CC[NH+](C)CC1 ZINC000179707505 928936160 /nfs/dbraw/zinc/93/61/60/928936160.db2.gz FOQMWZRABRIJBE-QHCPKHFHSA-N 2 1 366.553 3.893 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)oc1C ZINC000162779698 937290156 /nfs/dbraw/zinc/29/01/56/937290156.db2.gz PWLUPWXKKPMFFU-INIZCTEOSA-N 2 1 359.518 3.632 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000037105913 928996584 /nfs/dbraw/zinc/99/65/84/928996584.db2.gz DEOCDFNZISDNBQ-JZIBPQBNSA-N 2 1 353.304 3.734 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000583282202 937313427 /nfs/dbraw/zinc/31/34/27/937313427.db2.gz HSHIIMXCYCPYPU-AEFFLSMTSA-N 2 1 357.464 3.513 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000583282202 937313432 /nfs/dbraw/zinc/31/34/32/937313432.db2.gz HSHIIMXCYCPYPU-AEFFLSMTSA-N 2 1 357.464 3.513 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180130864 929386128 /nfs/dbraw/zinc/38/61/28/929386128.db2.gz FOERNXIGPXJDOR-UTKZUKDTSA-N 2 1 358.505 3.893 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196346 929418298 /nfs/dbraw/zinc/41/82/98/929418298.db2.gz VQXKUHNHDTZOQQ-UKRRQHHQSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196346 929418308 /nfs/dbraw/zinc/41/83/08/929418308.db2.gz VQXKUHNHDTZOQQ-UKRRQHHQSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196346 929418323 /nfs/dbraw/zinc/41/83/23/929418323.db2.gz VQXKUHNHDTZOQQ-UKRRQHHQSA-N 2 1 362.315 3.912 20 0 FHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)CC[NH+]1C ZINC000180196346 929418334 /nfs/dbraw/zinc/41/83/34/929418334.db2.gz VQXKUHNHDTZOQQ-UKRRQHHQSA-N 2 1 362.315 3.912 20 0 FHADMP Cc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515906 929536426 /nfs/dbraw/zinc/53/64/26/929536426.db2.gz LNAKJGDOIJVALJ-DHIUTWEWSA-N 2 1 352.522 3.911 20 0 FHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515773 929536575 /nfs/dbraw/zinc/53/65/75/929536575.db2.gz JLCSZGMNMIYMPW-NRFANRHFSA-N 2 1 374.475 3.881 20 0 FHADMP CCc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134901982 929576871 /nfs/dbraw/zinc/57/68/71/929576871.db2.gz AFSHWGNAGONCRN-DYESRHJHSA-N 2 1 366.505 3.804 20 0 FHADMP CCc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134901982 929576880 /nfs/dbraw/zinc/57/68/80/929576880.db2.gz AFSHWGNAGONCRN-DYESRHJHSA-N 2 1 366.505 3.804 20 0 FHADMP CCc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134901982 929576891 /nfs/dbraw/zinc/57/68/91/929576891.db2.gz AFSHWGNAGONCRN-DYESRHJHSA-N 2 1 366.505 3.804 20 0 FHADMP CCc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134901982 929576900 /nfs/dbraw/zinc/57/69/00/929576900.db2.gz AFSHWGNAGONCRN-DYESRHJHSA-N 2 1 366.505 3.804 20 0 FHADMP Fc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000657751293 937349249 /nfs/dbraw/zinc/34/92/49/937349249.db2.gz PCTURSZZQINCKH-MRXNPFEDSA-N 2 1 360.498 3.897 20 0 FHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137727505 929679627 /nfs/dbraw/zinc/67/96/27/929679627.db2.gz LPBWNRSPXKHSNK-HXUWFJFHSA-N 2 1 359.558 3.994 20 0 FHADMP c1csc([C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000092594966 937360941 /nfs/dbraw/zinc/36/09/41/937360941.db2.gz AFYVLBOAYTWPON-HXUWFJFHSA-N 2 1 372.534 3.796 20 0 FHADMP c1csc([C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000092594966 937360943 /nfs/dbraw/zinc/36/09/43/937360943.db2.gz AFYVLBOAYTWPON-HXUWFJFHSA-N 2 1 372.534 3.796 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000683722889 929923910 /nfs/dbraw/zinc/92/39/10/929923910.db2.gz LMSDAPLTPROWRU-YHYVQYDKSA-N 2 1 350.506 3.892 20 0 FHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000683722889 929923919 /nfs/dbraw/zinc/92/39/19/929923919.db2.gz LMSDAPLTPROWRU-YHYVQYDKSA-N 2 1 350.506 3.892 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608071 929939695 /nfs/dbraw/zinc/93/96/95/929939695.db2.gz ZFALOEFGVDQNMX-DENIHFKCSA-N 2 1 360.505 3.873 20 0 FHADMP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608071 929939705 /nfs/dbraw/zinc/93/97/05/929939705.db2.gz ZFALOEFGVDQNMX-DENIHFKCSA-N 2 1 360.505 3.873 20 0 FHADMP COc1ccc(Br)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001279431796 929999140 /nfs/dbraw/zinc/99/91/40/929999140.db2.gz JSKBXWRRRUVPIY-UHFFFAOYSA-N 2 1 367.331 3.766 20 0 FHADMP CC(C)c1oc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000583383960 937391818 /nfs/dbraw/zinc/39/18/18/937391818.db2.gz ABEZHADNCHLLNT-LJQANCHMSA-N 2 1 368.525 3.507 20 0 FHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000564586310 930358373 /nfs/dbraw/zinc/35/83/73/930358373.db2.gz RDTIRWYNGLBPTK-LJQANCHMSA-N 2 1 365.949 3.522 20 0 FHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000564586310 930358376 /nfs/dbraw/zinc/35/83/76/930358376.db2.gz RDTIRWYNGLBPTK-LJQANCHMSA-N 2 1 365.949 3.522 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)c2ccsc2S1 ZINC000583404198 937415949 /nfs/dbraw/zinc/41/59/49/937415949.db2.gz JFFLLPQYQUIXRQ-XJKSGUPXSA-N 2 1 363.552 3.799 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000397980428 930511416 /nfs/dbraw/zinc/51/14/16/930511416.db2.gz LZSFHURKTQBRGW-RLHVNXBHSA-N 2 1 358.526 3.609 20 0 FHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000397980428 930511422 /nfs/dbraw/zinc/51/14/22/930511422.db2.gz LZSFHURKTQBRGW-RLHVNXBHSA-N 2 1 358.526 3.609 20 0 FHADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000656188336 930556345 /nfs/dbraw/zinc/55/63/45/930556345.db2.gz CPPGEAWNQAECNA-HXUWFJFHSA-N 2 1 362.477 3.788 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040119 930631692 /nfs/dbraw/zinc/63/16/92/930631692.db2.gz RMAOZGFBKZCLPP-AGILITTLSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000398040119 930631702 /nfs/dbraw/zinc/63/17/02/930631702.db2.gz RMAOZGFBKZCLPP-AGILITTLSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398040119 930631707 /nfs/dbraw/zinc/63/17/07/930631707.db2.gz RMAOZGFBKZCLPP-AGILITTLSA-N 2 1 363.549 3.761 20 0 FHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398040119 930631715 /nfs/dbraw/zinc/63/17/15/930631715.db2.gz RMAOZGFBKZCLPP-AGILITTLSA-N 2 1 363.549 3.761 20 0 FHADMP CC(C)(C)OC(=O)NCCCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167430049 931006822 /nfs/dbraw/zinc/00/68/22/931006822.db2.gz QURXKWKCQVYTAP-LJQANCHMSA-N 2 1 367.578 3.879 20 0 FHADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126835977 931244421 /nfs/dbraw/zinc/24/44/21/931244421.db2.gz IZSNNROYRDLANF-VQTJNVASSA-N 2 1 358.551 3.807 20 0 FHADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126835977 931244427 /nfs/dbraw/zinc/24/44/27/931244427.db2.gz IZSNNROYRDLANF-VQTJNVASSA-N 2 1 358.551 3.807 20 0 FHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000430563220 931873857 /nfs/dbraw/zinc/87/38/57/931873857.db2.gz IMGOMWXYKXTXLE-UHFFFAOYSA-N 2 1 367.493 3.739 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000581360953 931893512 /nfs/dbraw/zinc/89/35/12/931893512.db2.gz QXAGAJNUHPLOTQ-VKJFTORMSA-N 2 1 369.937 3.531 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000581360953 931893515 /nfs/dbraw/zinc/89/35/15/931893515.db2.gz QXAGAJNUHPLOTQ-VKJFTORMSA-N 2 1 369.937 3.531 20 0 FHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000430570255 931903449 /nfs/dbraw/zinc/90/34/49/931903449.db2.gz MYEGYDHALCCERB-GHTZIAJQSA-N 2 1 373.566 3.649 20 0 FHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000430570258 931903468 /nfs/dbraw/zinc/90/34/68/931903468.db2.gz MYEGYDHALCCERB-RXVVDRJESA-N 2 1 373.566 3.649 20 0 FHADMP Cc1[nH+]ccn1CCCCN1CCOc2c(Br)cccc2C1 ZINC000684208972 931908525 /nfs/dbraw/zinc/90/85/25/931908525.db2.gz OWKZGUWSXGYBHS-UHFFFAOYSA-N 2 1 364.287 3.629 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(SC)cc1OC ZINC000656784407 932419205 /nfs/dbraw/zinc/41/92/05/932419205.db2.gz DBLUVYQKXIXQHQ-INIZCTEOSA-N 2 1 364.555 3.637 20 0 FHADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784594 932419242 /nfs/dbraw/zinc/41/92/42/932419242.db2.gz FWHMEOIEGZTOHK-OAHLLOKOSA-N 2 1 354.441 3.508 20 0 FHADMP CCCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788311 932425941 /nfs/dbraw/zinc/42/59/41/932425941.db2.gz IZIXKOZZXVCLSU-UHFFFAOYSA-N 2 1 371.319 3.608 20 0 FHADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCCC1 ZINC000656788140 932426785 /nfs/dbraw/zinc/42/67/85/932426785.db2.gz DEPKLABLSHKVHN-UHFFFAOYSA-N 2 1 362.109 3.573 20 0 FHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000656790469 932427684 /nfs/dbraw/zinc/42/76/84/932427684.db2.gz UPOLSTXJOGQYGK-VCOUNFBDSA-N 2 1 366.505 3.687 20 0 FHADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000581662041 932438854 /nfs/dbraw/zinc/43/88/54/932438854.db2.gz RCBTUADJIMJXRS-HNNXBMFYSA-N 2 1 368.312 3.819 20 0 FHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000156188149 932675297 /nfs/dbraw/zinc/67/52/97/932675297.db2.gz WNKAFLVPESEBHN-QGZVFWFLSA-N 2 1 365.512 3.880 20 0 FHADMP Cc1nc2ccccc2nc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564402924 932960750 /nfs/dbraw/zinc/96/07/50/932960750.db2.gz IXWQRGUYTUHXAT-SFTDATJTSA-N 2 1 372.516 3.892 20 0 FHADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564402924 932960757 /nfs/dbraw/zinc/96/07/57/932960757.db2.gz IXWQRGUYTUHXAT-SFTDATJTSA-N 2 1 372.516 3.892 20 0 FHADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564402924 932960759 /nfs/dbraw/zinc/96/07/59/932960759.db2.gz IXWQRGUYTUHXAT-SFTDATJTSA-N 2 1 372.516 3.892 20 0 FHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160490 932991891 /nfs/dbraw/zinc/99/18/91/932991891.db2.gz NZQVHROEEJSNFQ-FUHWJXTLSA-N 2 1 369.912 3.637 20 0 FHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160490 932991895 /nfs/dbraw/zinc/99/18/95/932991895.db2.gz NZQVHROEEJSNFQ-FUHWJXTLSA-N 2 1 369.912 3.637 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851114 933136867 /nfs/dbraw/zinc/13/68/67/933136867.db2.gz PDLRISLVZCWPRD-MSOLQXFVSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000471851114 933136871 /nfs/dbraw/zinc/13/68/71/933136871.db2.gz PDLRISLVZCWPRD-MSOLQXFVSA-N 2 1 366.465 3.502 20 0 FHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650523 933354669 /nfs/dbraw/zinc/35/46/69/933354669.db2.gz KBQJCSJLIYINBK-PKTZIBPZSA-N 2 1 372.553 3.845 20 0 FHADMP CCc1ccc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430939340 933437999 /nfs/dbraw/zinc/43/79/99/933437999.db2.gz KYWWVTHRVJNEFB-UHFFFAOYSA-N 2 1 371.613 3.920 20 0 FHADMP CCc1ccc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430939340 933438004 /nfs/dbraw/zinc/43/80/04/933438004.db2.gz KYWWVTHRVJNEFB-UHFFFAOYSA-N 3 1 371.613 3.920 20 0 FHADMP CCc1ccc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430939340 933438012 /nfs/dbraw/zinc/43/80/12/933438012.db2.gz KYWWVTHRVJNEFB-UHFFFAOYSA-N 3 1 371.613 3.920 20 0 FHADMP COc1ccc(C(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000510797069 933754273 /nfs/dbraw/zinc/75/42/73/933754273.db2.gz MJMZCCOGPWTCRX-UHFFFAOYSA-N 2 1 367.493 3.680 20 0 FHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000158375714 933760239 /nfs/dbraw/zinc/76/02/39/933760239.db2.gz VORFQVVCMQCCSB-IBGZPJMESA-N 2 1 368.496 3.989 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000684556634 933881325 /nfs/dbraw/zinc/88/13/25/933881325.db2.gz BSJOJFAQEZFXGZ-PSBKLILYSA-N 2 1 364.537 3.688 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H]1C ZINC000510943892 934212068 /nfs/dbraw/zinc/21/20/68/934212068.db2.gz HSCHUUSOSFXMFS-BVOGOJNSSA-N 2 1 372.553 3.855 20 0 FHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H]1C ZINC000510943892 934212073 /nfs/dbraw/zinc/21/20/73/934212073.db2.gz HSCHUUSOSFXMFS-BVOGOJNSSA-N 2 1 372.553 3.855 20 0 FHADMP Cc1cccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2cccc(F)c2)c1 ZINC000510953486 934218862 /nfs/dbraw/zinc/21/88/62/934218862.db2.gz VKRSVJUATVEECC-JOCHJYFZSA-N 2 1 369.528 3.839 20 0 FHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535810064 934400964 /nfs/dbraw/zinc/40/09/64/934400964.db2.gz ZAEHVQRAYHNINH-UWJYYQICSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535810064 934400969 /nfs/dbraw/zinc/40/09/69/934400969.db2.gz ZAEHVQRAYHNINH-UWJYYQICSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535810064 934400974 /nfs/dbraw/zinc/40/09/74/934400974.db2.gz ZAEHVQRAYHNINH-UWJYYQICSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535810064 934400980 /nfs/dbraw/zinc/40/09/80/934400980.db2.gz ZAEHVQRAYHNINH-UWJYYQICSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535810062 934402275 /nfs/dbraw/zinc/40/22/75/934402275.db2.gz ZAEHVQRAYHNINH-LAUBAEHRSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535810062 934402277 /nfs/dbraw/zinc/40/22/77/934402277.db2.gz ZAEHVQRAYHNINH-LAUBAEHRSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535810062 934402280 /nfs/dbraw/zinc/40/22/80/934402280.db2.gz ZAEHVQRAYHNINH-LAUBAEHRSA-N 2 1 351.494 3.692 20 0 FHADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535810062 934402285 /nfs/dbraw/zinc/40/22/85/934402285.db2.gz ZAEHVQRAYHNINH-LAUBAEHRSA-N 2 1 351.494 3.692 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808839 934416728 /nfs/dbraw/zinc/41/67/28/934416728.db2.gz ZFLYQJIFAVJHSB-OIISXLGYSA-N 2 1 363.552 3.555 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccsc2)s1 ZINC000535808839 934416732 /nfs/dbraw/zinc/41/67/32/934416732.db2.gz ZFLYQJIFAVJHSB-OIISXLGYSA-N 2 1 363.552 3.555 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000090464518 934671739 /nfs/dbraw/zinc/67/17/39/934671739.db2.gz XMCZLYHOQFRNRZ-HRAATJIYSA-N 2 1 366.509 3.765 20 0 FHADMP CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236745132 934769999 /nfs/dbraw/zinc/76/99/99/934769999.db2.gz VQQRYMONIDTYSQ-JOCHJYFZSA-N 2 1 365.521 3.662 20 0 FHADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590741 934879533 /nfs/dbraw/zinc/87/95/33/934879533.db2.gz MAZRFBUVRHIZKX-LSDHHAIUSA-N 2 1 351.332 3.943 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cc2c1C ZINC000472070107 934940631 /nfs/dbraw/zinc/94/06/31/934940631.db2.gz NKCPSZHBLVNHIY-UHFFFAOYSA-N 2 1 363.505 3.907 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000511025121 934947383 /nfs/dbraw/zinc/94/73/83/934947383.db2.gz AFWMQHSHVNQVMH-INIZCTEOSA-N 2 1 364.287 3.848 20 0 FHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000657296534 935001190 /nfs/dbraw/zinc/00/11/90/935001190.db2.gz HWPCQVNUFXUFAG-UHFFFAOYSA-N 2 1 366.431 3.715 20 0 FHADMP COc1ccsc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000472128072 935101405 /nfs/dbraw/zinc/10/14/05/935101405.db2.gz LWGQNILKFWCFOC-MJGOQNOKSA-N 2 1 373.566 3.786 20 0 FHADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000431331165 935104090 /nfs/dbraw/zinc/10/40/90/935104090.db2.gz ZMTNAUMCQRNJHU-QFIPXVFZSA-N 2 1 373.585 3.887 20 0 FHADMP Cc1c(Br)cncc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000657311647 935105473 /nfs/dbraw/zinc/10/54/73/935105473.db2.gz QINVETXOEATNII-AWEZNQCLSA-N 2 1 354.336 3.754 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccnn1CC1CC1 ZINC000657311570 935119392 /nfs/dbraw/zinc/11/93/92/935119392.db2.gz NSVLYBLYMWGDJT-SFHVURJKSA-N 2 1 352.526 3.957 20 0 FHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657311570 935119398 /nfs/dbraw/zinc/11/93/98/935119398.db2.gz NSVLYBLYMWGDJT-SFHVURJKSA-N 2 1 352.526 3.957 20 0 FHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657311570 935119400 /nfs/dbraw/zinc/11/94/00/935119400.db2.gz NSVLYBLYMWGDJT-SFHVURJKSA-N 2 1 352.526 3.957 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3cc4n(n3)CCC4)cc2)C1 ZINC000657313515 935141341 /nfs/dbraw/zinc/14/13/41/935141341.db2.gz IUYMAHNLDNVQJQ-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657313515 935141344 /nfs/dbraw/zinc/14/13/44/935141344.db2.gz IUYMAHNLDNVQJQ-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)C1 ZINC000657313515 935141347 /nfs/dbraw/zinc/14/13/47/935141347.db2.gz IUYMAHNLDNVQJQ-HDICACEKSA-N 2 1 352.526 3.597 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1NC(C)=O ZINC000157885354 935218436 /nfs/dbraw/zinc/21/84/36/935218436.db2.gz VAKZJOWENBATMI-IRXDYDNUSA-N 2 1 361.530 3.959 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)cc21 ZINC000657330233 935233532 /nfs/dbraw/zinc/23/35/32/935233532.db2.gz SPNZPWLHFQOUPP-GOSISDBHSA-N 2 1 363.505 3.987 20 0 FHADMP Cc1cccc2[nH]c(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)cc21 ZINC000657330233 935233535 /nfs/dbraw/zinc/23/35/35/935233535.db2.gz SPNZPWLHFQOUPP-GOSISDBHSA-N 2 1 363.505 3.987 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000657332448 935248869 /nfs/dbraw/zinc/24/88/69/935248869.db2.gz IGCZWEGCGPVORI-UHFFFAOYSA-N 2 1 354.420 3.569 20 0 FHADMP OCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000582102961 935276215 /nfs/dbraw/zinc/27/62/15/935276215.db2.gz HZZUZMBXPLKWPQ-SFHVURJKSA-N 2 1 356.432 3.593 20 0 FHADMP COC(C[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)OC ZINC001167985030 945092057 /nfs/dbraw/zinc/09/20/57/945092057.db2.gz SNBVJCZTUDWLEE-WCRBZPEASA-N 2 1 358.526 3.513 20 0 FHADMP COC(C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)OC ZINC001167985030 945092065 /nfs/dbraw/zinc/09/20/65/945092065.db2.gz SNBVJCZTUDWLEE-WCRBZPEASA-N 2 1 358.526 3.513 20 0 FHADMP COC(C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)OC ZINC001167985030 945092074 /nfs/dbraw/zinc/09/20/74/945092074.db2.gz SNBVJCZTUDWLEE-WCRBZPEASA-N 2 1 358.526 3.513 20 0 FHADMP COC(C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OC ZINC001167985030 945092083 /nfs/dbraw/zinc/09/20/83/945092083.db2.gz SNBVJCZTUDWLEE-WCRBZPEASA-N 2 1 358.526 3.513 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233735 935459940 /nfs/dbraw/zinc/45/99/40/935459940.db2.gz JFYBEUWETDUQSY-HMXCVIKNSA-N 2 1 367.493 3.557 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC000892233735 935459942 /nfs/dbraw/zinc/45/99/42/935459942.db2.gz JFYBEUWETDUQSY-HMXCVIKNSA-N 2 1 367.493 3.557 20 0 FHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657384894 935483753 /nfs/dbraw/zinc/48/37/53/935483753.db2.gz SCJQPJOCRDQNSD-GOSISDBHSA-N 2 1 360.542 3.987 20 0 FHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000647248634 935553771 /nfs/dbraw/zinc/55/37/71/935553771.db2.gz NGOMTIVMOMGBSS-MSOLQXFVSA-N 2 1 374.912 3.792 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430244 935702159 /nfs/dbraw/zinc/70/21/59/935702159.db2.gz PCIQZDQZHCRENP-LRXVAGHRSA-N 2 1 358.526 3.597 20 0 FHADMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127131 945118453 /nfs/dbraw/zinc/11/84/53/945118453.db2.gz CTTBPJZGBHBEQO-XLIONFOSSA-N 2 1 352.478 3.555 20 0 FHADMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000427127131 945118455 /nfs/dbraw/zinc/11/84/55/945118455.db2.gz CTTBPJZGBHBEQO-XLIONFOSSA-N 2 1 352.478 3.555 20 0 FHADMP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(CC2CC2)n1 ZINC000657433251 935723461 /nfs/dbraw/zinc/72/34/61/935723461.db2.gz YWTTYFOCGOTFCO-ACIOBRDBSA-N 2 1 364.537 3.683 20 0 FHADMP CCc1cccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)oc21 ZINC000657433438 935725827 /nfs/dbraw/zinc/72/58/27/935725827.db2.gz XCCJPSQXHDFGTK-OAQYLSRUSA-N 2 1 364.489 3.852 20 0 FHADMP CC1(C)CC([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC(C)(C)[NH2+]1 ZINC000073051436 935772952 /nfs/dbraw/zinc/77/29/52/935772952.db2.gz RKCKOSVHRDWKQC-UHFFFAOYSA-N 2 1 360.933 3.984 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1)C1CC1 ZINC000511149766 935801759 /nfs/dbraw/zinc/80/17/59/935801759.db2.gz DQICNYIXNJKGCV-JOCHJYFZSA-N 2 1 365.521 3.704 20 0 FHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc21 ZINC000439957789 945125727 /nfs/dbraw/zinc/12/57/27/945125727.db2.gz FHDROMYCBACRCM-FQEVSTJZSA-N 2 1 368.525 3.548 20 0 FHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000511164819 935838381 /nfs/dbraw/zinc/83/83/81/935838381.db2.gz KYSVNLCOGIVQGH-UHFFFAOYSA-N 2 1 350.572 3.979 20 0 FHADMP O=C(Nc1ccccc1)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125291611 935845284 /nfs/dbraw/zinc/84/52/84/935845284.db2.gz XDIPYNMLNKAENQ-UHFFFAOYSA-N 2 1 372.472 3.656 20 0 FHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000048745034 935845569 /nfs/dbraw/zinc/84/55/69/935845569.db2.gz IINUQRRMDCOQSH-GOSISDBHSA-N 2 1 364.493 3.872 20 0 FHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586401 935849259 /nfs/dbraw/zinc/84/92/59/935849259.db2.gz MINCXZMSQLQKRO-QSOKESPWSA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586401 935849262 /nfs/dbraw/zinc/84/92/62/935849262.db2.gz MINCXZMSQLQKRO-QSOKESPWSA-N 2 1 370.459 3.973 20 0 FHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586401 935849267 /nfs/dbraw/zinc/84/92/67/935849267.db2.gz MINCXZMSQLQKRO-QSOKESPWSA-N 2 1 370.459 3.973 20 0 FHADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000582591762 935855869 /nfs/dbraw/zinc/85/58/69/935855869.db2.gz LBOJNTDDNVQFKZ-GJZGRUSLSA-N 2 1 371.447 3.744 20 0 FHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000582692586 935949928 /nfs/dbraw/zinc/94/99/28/935949928.db2.gz COZSXJXJIXGXJD-UHFFFAOYSA-N 2 1 350.466 3.688 20 0 FHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000582692586 935949930 /nfs/dbraw/zinc/94/99/30/935949930.db2.gz COZSXJXJIXGXJD-UHFFFAOYSA-N 2 1 350.466 3.688 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237684939 936206733 /nfs/dbraw/zinc/20/67/33/936206733.db2.gz DYURJJQKQZEXBX-KDURUIRLSA-N 2 1 371.569 3.561 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271517 936267568 /nfs/dbraw/zinc/26/75/68/936267568.db2.gz BWCKUHMUPNVYHD-YJBOKZPZSA-N 2 1 356.457 3.782 20 0 FHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cnn(C4CCCC4)c3)CC2)nc(C)[nH+]1 ZINC000548793855 938255630 /nfs/dbraw/zinc/25/56/30/938255630.db2.gz XSYMOKBMMJHTSL-INIZCTEOSA-N 2 1 368.529 3.725 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000472289720 938270355 /nfs/dbraw/zinc/27/03/55/938270355.db2.gz DHKZKFRBUSUQJB-IBGZPJMESA-N 2 1 357.498 3.583 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000472289720 938270360 /nfs/dbraw/zinc/27/03/60/938270360.db2.gz DHKZKFRBUSUQJB-IBGZPJMESA-N 2 1 357.498 3.583 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000657762723 938271280 /nfs/dbraw/zinc/27/12/80/938271280.db2.gz MPHNYXOESWVJHN-PZJWPPBQSA-N 2 1 371.569 3.716 20 0 FHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000657762723 938271281 /nfs/dbraw/zinc/27/12/81/938271281.db2.gz MPHNYXOESWVJHN-PZJWPPBQSA-N 2 1 371.569 3.716 20 0 FHADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707850 938287477 /nfs/dbraw/zinc/28/74/77/938287477.db2.gz OEHWSBWNNURDAN-DXCKQFNASA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722885 938310069 /nfs/dbraw/zinc/31/00/69/938310069.db2.gz DBAUOHCGGWOVBH-ATZDWAIDSA-N 2 1 359.901 3.749 20 0 FHADMP COc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2c1 ZINC000650721754 938310428 /nfs/dbraw/zinc/31/04/28/938310428.db2.gz AIIVTDKQQKEXIJ-CEMLEFRQSA-N 2 1 354.494 3.709 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000583605692 938319187 /nfs/dbraw/zinc/31/91/87/938319187.db2.gz NZMJTKFTJNTZDE-MRXNPFEDSA-N 2 1 370.368 3.636 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000583605692 938319189 /nfs/dbraw/zinc/31/91/89/938319189.db2.gz NZMJTKFTJNTZDE-MRXNPFEDSA-N 2 1 370.368 3.636 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657778875 938348788 /nfs/dbraw/zinc/34/87/88/938348788.db2.gz WPXZPSVMYHSBOR-WMZOPIPTSA-N 2 1 352.469 3.570 20 0 FHADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657778875 938348791 /nfs/dbraw/zinc/34/87/91/938348791.db2.gz WPXZPSVMYHSBOR-WMZOPIPTSA-N 2 1 352.469 3.570 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657778872 938348801 /nfs/dbraw/zinc/34/88/01/938348801.db2.gz WPXZPSVMYHSBOR-SJLPKXTDSA-N 2 1 352.469 3.570 20 0 FHADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657778872 938348803 /nfs/dbraw/zinc/34/88/03/938348803.db2.gz WPXZPSVMYHSBOR-SJLPKXTDSA-N 2 1 352.469 3.570 20 0 FHADMP [NH3+]Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(F)c1 ZINC000650755893 938411779 /nfs/dbraw/zinc/41/17/79/938411779.db2.gz PBOHERNGINIBQU-WWNPGLIZSA-N 2 1 367.512 3.817 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(F)c1 ZINC000650755893 938411780 /nfs/dbraw/zinc/41/17/80/938411780.db2.gz PBOHERNGINIBQU-WWNPGLIZSA-N 3 1 367.512 3.817 20 0 FHADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(F)c1 ZINC000650755893 938411782 /nfs/dbraw/zinc/41/17/82/938411782.db2.gz PBOHERNGINIBQU-WWNPGLIZSA-N 3 1 367.512 3.817 20 0 FHADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000650756243 938412895 /nfs/dbraw/zinc/41/28/95/938412895.db2.gz XHUNTUNAVSZGLU-IBGZPJMESA-N 3 1 351.538 3.591 20 0 FHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828236 938433953 /nfs/dbraw/zinc/43/39/53/938433953.db2.gz RPRIJSPHAPURAL-BZUAXINKSA-N 2 1 372.431 3.599 20 0 FHADMP NC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657798599 938437227 /nfs/dbraw/zinc/43/72/27/938437227.db2.gz OXVYNYDJMDSCFF-HXUWFJFHSA-N 2 1 369.553 3.599 20 0 FHADMP NC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657798599 938437229 /nfs/dbraw/zinc/43/72/29/938437229.db2.gz OXVYNYDJMDSCFF-HXUWFJFHSA-N 2 1 369.553 3.599 20 0 FHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583895284 938471082 /nfs/dbraw/zinc/47/10/82/938471082.db2.gz FWSJVXXQVLGOQI-XLIONFOSSA-N 2 1 354.469 3.933 20 0 FHADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2cc(OC)ccc2c1 ZINC000151366188 938531787 /nfs/dbraw/zinc/53/17/87/938531787.db2.gz MACMNBZZBBFAJG-JOCHJYFZSA-N 2 1 356.510 3.736 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657815242 938534015 /nfs/dbraw/zinc/53/40/15/938534015.db2.gz NOHQBCKICKJCLR-WMZHIEFXSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657815242 938534017 /nfs/dbraw/zinc/53/40/17/938534017.db2.gz NOHQBCKICKJCLR-WMZHIEFXSA-N 3 1 355.570 3.751 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000132836542 938543953 /nfs/dbraw/zinc/54/39/53/938543953.db2.gz LFRUDTRAQMMISZ-QWHCGFSZSA-N 2 1 373.360 3.662 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000584021034 938550498 /nfs/dbraw/zinc/55/04/98/938550498.db2.gz CSVGOEOVRCFMMC-JOCHJYFZSA-N 2 1 364.537 3.951 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000584021035 938550623 /nfs/dbraw/zinc/55/06/23/938550623.db2.gz CSVGOEOVRCFMMC-QFIPXVFZSA-N 2 1 364.537 3.951 20 0 FHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657819342 938552605 /nfs/dbraw/zinc/55/26/05/938552605.db2.gz VTQURPFXUOQVHB-RDJZCZTQSA-N 2 1 370.522 3.529 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278588925 938561519 /nfs/dbraw/zinc/56/15/19/938561519.db2.gz QJXPBMMKJWCGSK-HZPDHXFCSA-N 2 1 374.554 3.665 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278588925 938561521 /nfs/dbraw/zinc/56/15/21/938561521.db2.gz QJXPBMMKJWCGSK-HZPDHXFCSA-N 2 1 374.554 3.665 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657834767 938632493 /nfs/dbraw/zinc/63/24/93/938632493.db2.gz BJGKGHFQXSUTSF-XXBNENTESA-N 2 1 374.569 3.840 20 0 FHADMP CCCC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000584240452 938652904 /nfs/dbraw/zinc/65/29/04/938652904.db2.gz HYVLOIVKVIDPDC-NRFANRHFSA-N 2 1 363.590 3.658 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000657837167 938669670 /nfs/dbraw/zinc/66/96/70/938669670.db2.gz QXZVYBMTZHIBHC-XXBNENTESA-N 2 1 374.569 3.982 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000506747789 945194749 /nfs/dbraw/zinc/19/47/49/945194749.db2.gz OZROPZCAIDVLLK-QGZVFWFLSA-N 2 1 355.448 3.603 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc2)CC1 ZINC000657839278 938691316 /nfs/dbraw/zinc/69/13/16/938691316.db2.gz QWQQLOHJLXUXKP-INIZCTEOSA-N 2 1 353.501 3.594 20 0 FHADMP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC[NH+]2CCC2)c1 ZINC000584361170 938707630 /nfs/dbraw/zinc/70/76/30/938707630.db2.gz FVMGRMZYETYJSL-UHFFFAOYSA-N 2 1 366.534 3.845 20 0 FHADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414966093 945207928 /nfs/dbraw/zinc/20/79/28/945207928.db2.gz FZNXBTFIJZLTHN-LJQANCHMSA-N 2 1 354.542 3.707 20 0 FHADMP CC[C@@H](C[NH2+]C1CC[NH+](CCOC)CC1)Oc1ccccc1C(F)(F)F ZINC000090230977 938872660 /nfs/dbraw/zinc/87/26/60/938872660.db2.gz VYXDWXHUUYECST-INIZCTEOSA-N 2 1 374.447 3.563 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586506 938880319 /nfs/dbraw/zinc/88/03/19/938880319.db2.gz PTZKCCDICXUPPM-JOCHJYFZSA-N 2 1 357.586 3.651 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586506 938880322 /nfs/dbraw/zinc/88/03/22/938880322.db2.gz PTZKCCDICXUPPM-JOCHJYFZSA-N 3 1 357.586 3.651 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586506 938880323 /nfs/dbraw/zinc/88/03/23/938880323.db2.gz PTZKCCDICXUPPM-JOCHJYFZSA-N 3 1 357.586 3.651 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000090586506 938880325 /nfs/dbraw/zinc/88/03/25/938880325.db2.gz PTZKCCDICXUPPM-JOCHJYFZSA-N 2 1 357.586 3.651 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000090586506 938880327 /nfs/dbraw/zinc/88/03/27/938880327.db2.gz PTZKCCDICXUPPM-JOCHJYFZSA-N 2 1 357.586 3.651 20 0 FHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1COc2ccccc21 ZINC000090844762 938883420 /nfs/dbraw/zinc/88/34/20/938883420.db2.gz NCKWSDSZOLSPKZ-HTAPYJJXSA-N 2 1 368.496 3.987 20 0 FHADMP CCCOc1c(Cl)cc(C[NH2+]CCn2cc[nH+]c2C)cc1OCC ZINC000520957614 938893784 /nfs/dbraw/zinc/89/37/84/938893784.db2.gz MXRIESIAJDFXPU-UHFFFAOYSA-N 2 1 351.878 3.822 20 0 FHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cccnc3)C(C)C)cc2)CC1 ZINC000091287221 938899459 /nfs/dbraw/zinc/89/94/59/938899459.db2.gz XVUOHEFMULHHNV-HSZRJFAPSA-N 2 1 366.553 3.706 20 0 FHADMP CCc1nc2ccccc2n1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000093301575 938928723 /nfs/dbraw/zinc/92/87/23/938928723.db2.gz BXWRLQRZGUZLTA-UHFFFAOYSA-N 2 1 351.498 3.831 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCc2ncc(C)s2)CC1 ZINC000093807229 938930191 /nfs/dbraw/zinc/93/01/91/938930191.db2.gz FYAMNHYGVUNIOQ-UHFFFAOYSA-N 2 1 372.582 3.658 20 0 FHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770089 938930198 /nfs/dbraw/zinc/93/01/98/938930198.db2.gz SZOOCVAMGGRWPU-INIZCTEOSA-N 2 1 366.431 3.665 20 0 FHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770089 938930199 /nfs/dbraw/zinc/93/01/99/938930199.db2.gz SZOOCVAMGGRWPU-INIZCTEOSA-N 2 1 366.431 3.665 20 0 FHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770089 938930200 /nfs/dbraw/zinc/93/02/00/938930200.db2.gz SZOOCVAMGGRWPU-INIZCTEOSA-N 2 1 366.431 3.665 20 0 FHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768690 938965889 /nfs/dbraw/zinc/96/58/89/938965889.db2.gz OAPXTXLUWXINOR-NVXWUHKLSA-N 2 1 356.432 3.714 20 0 FHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768690 938965890 /nfs/dbraw/zinc/96/58/90/938965890.db2.gz OAPXTXLUWXINOR-NVXWUHKLSA-N 2 1 356.432 3.714 20 0 FHADMP CC(C)C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457385 938987861 /nfs/dbraw/zinc/98/78/61/938987861.db2.gz BKNPVHWFPSVHTN-GGAORHGYSA-N 2 1 357.586 3.917 20 0 FHADMP CC(C)C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457388 938987869 /nfs/dbraw/zinc/98/78/69/938987869.db2.gz BKNPVHWFPSVHTN-JTHBVZDNSA-N 2 1 357.586 3.917 20 0 FHADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685471301 938989546 /nfs/dbraw/zinc/98/95/46/938989546.db2.gz BIGMABAEWCCVGT-OAQYLSRUSA-N 2 1 368.525 3.838 20 0 FHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563114 938991586 /nfs/dbraw/zinc/99/15/86/938991586.db2.gz USDXXKGDBJWUTG-QKNQBKEWSA-N 2 1 365.521 3.761 20 0 FHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000657904935 938995524 /nfs/dbraw/zinc/99/55/24/938995524.db2.gz VVTXLGPIAICZDA-JXFKEZNVSA-N 2 1 357.498 3.663 20 0 FHADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571174 939001933 /nfs/dbraw/zinc/00/19/33/939001933.db2.gz HRUOCQVJDARLKR-MSOLQXFVSA-N 2 1 358.448 3.837 20 0 FHADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000685571174 939001934 /nfs/dbraw/zinc/00/19/34/939001934.db2.gz HRUOCQVJDARLKR-MSOLQXFVSA-N 2 1 358.448 3.837 20 0 FHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000431618178 939008247 /nfs/dbraw/zinc/00/82/47/939008247.db2.gz CFZZNWMAOVUFQQ-JOCHJYFZSA-N 2 1 369.553 3.518 20 0 FHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000431618178 939008248 /nfs/dbraw/zinc/00/82/48/939008248.db2.gz CFZZNWMAOVUFQQ-JOCHJYFZSA-N 2 1 369.553 3.518 20 0 FHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000431618178 939008249 /nfs/dbraw/zinc/00/82/49/939008249.db2.gz CFZZNWMAOVUFQQ-JOCHJYFZSA-N 2 1 369.553 3.518 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2ccncc2s1 ZINC000657969268 939013505 /nfs/dbraw/zinc/01/35/05/939013505.db2.gz LLYCMQHACQPPRH-KXBFYZLASA-N 2 1 367.518 3.714 20 0 FHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CC2)cc1 ZINC000658134491 939030112 /nfs/dbraw/zinc/03/01/12/939030112.db2.gz AZYMLQARKQYJTG-PKTZIBPZSA-N 2 1 350.506 3.803 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135377 939030152 /nfs/dbraw/zinc/03/01/52/939030152.db2.gz DIKFASYRFPUZDZ-KXBFYZLASA-N 2 1 356.535 3.654 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135371 939030321 /nfs/dbraw/zinc/03/03/21/939030321.db2.gz DIKFASYRFPUZDZ-DNVCBOLYSA-N 2 1 356.535 3.654 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141278 939035669 /nfs/dbraw/zinc/03/56/69/939035669.db2.gz SKTBIFSBCSDIKZ-RDTXWAMCSA-N 2 1 362.876 3.897 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142255 939036225 /nfs/dbraw/zinc/03/62/25/939036225.db2.gz VGEYXMIBRUAXHA-UWJYYQICSA-N 2 1 356.897 3.684 20 0 FHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143457 939036661 /nfs/dbraw/zinc/03/66/61/939036661.db2.gz YJUWEDRRAVZIAR-GHTZIAJQSA-N 2 1 360.448 3.772 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138110 939042191 /nfs/dbraw/zinc/04/21/91/939042191.db2.gz MSJDGFUHFVZMCJ-UTKZUKDTSA-N 2 1 361.489 3.652 20 0 FHADMP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140277 939043890 /nfs/dbraw/zinc/04/38/90/939043890.db2.gz PKHCIWWVGCGPOB-PGRDOPGGSA-N 2 1 368.521 3.893 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511828525 945224841 /nfs/dbraw/zinc/22/48/41/945224841.db2.gz YESCAEPZHVBEFG-YTFSRNRJSA-N 2 1 355.570 3.671 20 0 FHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658236837 939078632 /nfs/dbraw/zinc/07/86/32/939078632.db2.gz XOGANSJHXCPFFA-OUFMZXHOSA-N 2 1 366.553 3.632 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000658254314 939090125 /nfs/dbraw/zinc/09/01/25/939090125.db2.gz PGHWRZYYZFJILT-VNTMZGSJSA-N 2 1 366.590 3.839 20 0 FHADMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000658352569 939123844 /nfs/dbraw/zinc/12/38/44/939123844.db2.gz GYUKQRMIYIEATC-FQEVSTJZSA-N 2 1 372.944 3.875 20 0 FHADMP O=C(Nc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1)c1ccccc1Cl ZINC000414902289 945262445 /nfs/dbraw/zinc/26/24/45/945262445.db2.gz HPWUOLHOHVHDDB-MRXNPFEDSA-N 2 1 357.885 3.824 20 0 FHADMP COc1c(C)cc(Br)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204748166 945263586 /nfs/dbraw/zinc/26/35/86/945263586.db2.gz GPUHVMCONSMLPD-UHFFFAOYSA-N 2 1 367.331 3.732 20 0 FHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000506766578 945271710 /nfs/dbraw/zinc/27/17/10/945271710.db2.gz HILIRTKQVVWYJU-UHFFFAOYSA-N 2 1 355.501 3.988 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000431636019 939911791 /nfs/dbraw/zinc/91/17/91/939911791.db2.gz NKOWOMQPDHTNQV-OAQYLSRUSA-N 2 1 357.542 3.553 20 0 FHADMP CCC(CC)[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000310536514 939923880 /nfs/dbraw/zinc/92/38/80/939923880.db2.gz PPXZCBLGQCFTPI-DAWZGUTISA-N 2 1 355.567 3.778 20 0 FHADMP c1ccc(C[NH+]2CCC([NH2+]CCNc3ccc4ccccc4n3)CC2)cc1 ZINC000151177081 939970653 /nfs/dbraw/zinc/97/06/53/939970653.db2.gz NMJHXMQVSUXVOR-UHFFFAOYSA-N 2 1 360.505 3.901 20 0 FHADMP CSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000507507052 945286698 /nfs/dbraw/zinc/28/66/98/945286698.db2.gz HBSCYYGXLHKPSX-HSALFYBXSA-N 2 1 353.535 3.804 20 0 FHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000375901999 940040658 /nfs/dbraw/zinc/04/06/58/940040658.db2.gz DVMUDTHGRYKDPI-GOSISDBHSA-N 2 1 367.990 3.532 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000414903416 945295204 /nfs/dbraw/zinc/29/52/04/945295204.db2.gz LYJWBUBIWTUDRD-WMZOPIPTSA-N 2 1 369.513 3.646 20 0 FHADMP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472445468 940168135 /nfs/dbraw/zinc/16/81/35/940168135.db2.gz FMTQSRZNJSUIJW-DYXWJJEUSA-N 2 1 374.573 3.584 20 0 FHADMP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133128598 940267273 /nfs/dbraw/zinc/26/72/73/940267273.db2.gz PVVNIPUZTBXGOH-KSSFIOAISA-N 2 1 366.958 3.967 20 0 FHADMP C[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000570418808 940297517 /nfs/dbraw/zinc/29/75/17/940297517.db2.gz VFIKWJHNTQIZAT-VJBWXMMDSA-N 2 1 368.569 3.503 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000066236710 940341693 /nfs/dbraw/zinc/34/16/93/940341693.db2.gz YLZHKMKGDQJESJ-UHFFFAOYSA-N 2 1 360.933 3.777 20 0 FHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sn1 ZINC000660621656 945318002 /nfs/dbraw/zinc/31/80/02/945318002.db2.gz AFAPBWYRILIAKD-UHFFFAOYSA-N 2 1 357.523 3.640 20 0 FHADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OCC(F)(F)F ZINC000647497382 940375544 /nfs/dbraw/zinc/37/55/44/940375544.db2.gz FIGGDILIKIZORG-LSDHHAIUSA-N 2 1 360.420 3.586 20 0 FHADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OCC(F)(F)F ZINC000647497382 940375546 /nfs/dbraw/zinc/37/55/46/940375546.db2.gz FIGGDILIKIZORG-LSDHHAIUSA-N 2 1 360.420 3.586 20 0 FHADMP FC(F)(F)c1cscc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000685838632 940426464 /nfs/dbraw/zinc/42/64/64/940426464.db2.gz LCZLLWSPCVZNOB-UHFFFAOYSA-N 2 1 362.461 3.844 20 0 FHADMP CC1CC[NH+](Cc2cccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000431779140 940492878 /nfs/dbraw/zinc/49/28/78/940492878.db2.gz QVGVRRLKFWUDPY-JOCHJYFZSA-N 2 1 371.569 3.799 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000431782359 940497783 /nfs/dbraw/zinc/49/77/83/940497783.db2.gz OOBWBYWQVCHJMI-QFIPXVFZSA-N 2 1 371.569 3.943 20 0 FHADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000414097188 940502636 /nfs/dbraw/zinc/50/26/36/940502636.db2.gz IFCWDVRBSUWAJR-JKSUJKDBSA-N 2 1 350.466 3.866 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000519360240 945337854 /nfs/dbraw/zinc/33/78/54/945337854.db2.gz TZCXBALEJKYICA-OALUTQOASA-N 2 1 359.558 3.911 20 0 FHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000414173071 940709283 /nfs/dbraw/zinc/70/92/83/940709283.db2.gz FKCXKVNKZWLMMS-UXPWSPDFSA-N 2 1 350.934 3.752 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295958 940718436 /nfs/dbraw/zinc/71/84/36/940718436.db2.gz MITOHHHXWIPYAN-ROUUACIJSA-N 2 1 371.569 3.594 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174295586 940718451 /nfs/dbraw/zinc/71/84/51/940718451.db2.gz REDDBTNEJZAIEF-MSOLQXFVSA-N 2 1 367.537 3.868 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295136 940718458 /nfs/dbraw/zinc/71/84/58/940718458.db2.gz AIQACUQOHWDSKC-MSOLQXFVSA-N 2 1 367.537 3.868 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414205711 940765053 /nfs/dbraw/zinc/76/50/53/940765053.db2.gz HVPXLRMTMIYGGP-CEMLEFRQSA-N 2 1 352.526 3.683 20 0 FHADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414205711 940765057 /nfs/dbraw/zinc/76/50/57/940765057.db2.gz HVPXLRMTMIYGGP-CEMLEFRQSA-N 2 1 352.526 3.683 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000613491978 940771014 /nfs/dbraw/zinc/77/10/14/940771014.db2.gz FKYWYQSLZVOKLZ-QHCPKHFHSA-N 2 1 373.585 3.944 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3C3CC3)cc2)C1 ZINC000892574454 940816789 /nfs/dbraw/zinc/81/67/89/940816789.db2.gz KFPZFSAUNXXRGL-KRWDZBQOSA-N 2 1 352.526 3.819 20 0 FHADMP CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427423165 945360579 /nfs/dbraw/zinc/36/05/79/945360579.db2.gz ZGMOWVZQBPXMTI-UHFFFAOYSA-N 2 1 357.542 3.524 20 0 FHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414333616 940993794 /nfs/dbraw/zinc/99/37/94/940993794.db2.gz ATHFXTMRZUJWLW-DWLFOUALSA-N 2 1 367.512 3.905 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000511509296 941050899 /nfs/dbraw/zinc/05/08/99/941050899.db2.gz APNPJXFKQSFATG-QFIPXVFZSA-N 2 1 367.537 3.951 20 0 FHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543404 941065383 /nfs/dbraw/zinc/06/53/83/941065383.db2.gz MQJBYLAJUQZEDL-JKSUJKDBSA-N 2 1 352.906 3.569 20 0 FHADMP c1c[nH]c([C@@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495230 941083455 /nfs/dbraw/zinc/08/34/55/941083455.db2.gz MAQQYJWHBFOBBF-ROUUACIJSA-N 2 1 356.518 3.667 20 0 FHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3ccc(Br)cc3[nH]1)CC2 ZINC001279718359 941098613 /nfs/dbraw/zinc/09/86/13/941098613.db2.gz BGWPVGHSYHGMKU-UHFFFAOYSA-N 2 1 362.315 3.848 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285883 941147273 /nfs/dbraw/zinc/14/72/73/941147273.db2.gz SVCQTFIIIXWPRL-YCRPNKLZSA-N 2 1 360.461 3.593 20 0 FHADMP C[NH2+][C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000659296016 941150479 /nfs/dbraw/zinc/15/04/79/941150479.db2.gz IQXUJENFGHNFGK-KRWDZBQOSA-N 2 1 364.276 3.538 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210014 941164493 /nfs/dbraw/zinc/16/44/93/941164493.db2.gz IQJRNVHNOZSGBE-QRWLVFNGSA-N 2 1 355.457 3.839 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178210014 941164495 /nfs/dbraw/zinc/16/44/95/941164495.db2.gz IQJRNVHNOZSGBE-QRWLVFNGSA-N 2 1 355.457 3.839 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000178218282 941166525 /nfs/dbraw/zinc/16/65/25/941166525.db2.gz LNGRSFOZQKKBEP-BRWVUGGUSA-N 2 1 367.493 3.568 20 0 FHADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248408 941211634 /nfs/dbraw/zinc/21/16/34/941211634.db2.gz AIXZABIKLWQZGK-CRAIPNDOSA-N 2 1 355.457 3.696 20 0 FHADMP O[C@@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498792 941314933 /nfs/dbraw/zinc/31/49/33/941314933.db2.gz LGKZMQKDUOJQHR-PXNSSMCTSA-N 2 1 360.448 3.500 20 0 FHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498792 941314936 /nfs/dbraw/zinc/31/49/36/941314936.db2.gz LGKZMQKDUOJQHR-PXNSSMCTSA-N 2 1 360.448 3.500 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000311697185 941360425 /nfs/dbraw/zinc/36/04/25/941360425.db2.gz TZXZOTAPHXHKOZ-UYAOXDASSA-N 2 1 353.510 3.707 20 0 FHADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000311697185 941360429 /nfs/dbraw/zinc/36/04/29/941360429.db2.gz TZXZOTAPHXHKOZ-UYAOXDASSA-N 2 1 353.510 3.707 20 0 FHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000518033611 941457070 /nfs/dbraw/zinc/45/70/70/941457070.db2.gz DFLKXHXFTAFQHV-HUUCEWRRSA-N 2 1 354.336 3.863 20 0 FHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000518033611 941457071 /nfs/dbraw/zinc/45/70/71/941457071.db2.gz DFLKXHXFTAFQHV-HUUCEWRRSA-N 2 1 354.336 3.863 20 0 FHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689944 941576957 /nfs/dbraw/zinc/57/69/57/941576957.db2.gz UMOFWLAYXZEVLI-HKUYNNGSSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689944 941576960 /nfs/dbraw/zinc/57/69/60/941576960.db2.gz UMOFWLAYXZEVLI-HKUYNNGSSA-N 2 1 372.488 3.930 20 0 FHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689944 941576963 /nfs/dbraw/zinc/57/69/63/941576963.db2.gz UMOFWLAYXZEVLI-HKUYNNGSSA-N 2 1 372.488 3.930 20 0 FHADMP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415060662 941578909 /nfs/dbraw/zinc/57/89/09/941578909.db2.gz XFURQYLSZCJTLE-VFUGHAIPSA-N 2 1 361.961 3.782 20 0 FHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415062112 941580216 /nfs/dbraw/zinc/58/02/16/941580216.db2.gz ZRDAUKUZGMPLCT-QQFBHYJXSA-N 2 1 355.979 3.529 20 0 FHADMP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415078219 941587843 /nfs/dbraw/zinc/58/78/43/941587843.db2.gz GDPWLERIOZRVNX-FCHUYYIVSA-N 2 1 360.505 3.557 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000549177013 941588243 /nfs/dbraw/zinc/58/82/43/941588243.db2.gz APUKICFBTXFMQX-HXUWFJFHSA-N 2 1 367.940 3.627 20 0 FHADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415085785 941596172 /nfs/dbraw/zinc/59/61/72/941596172.db2.gz QVSROPXFIQBJRU-NHCUHLMSSA-N 2 1 354.494 3.603 20 0 FHADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415085784 941596391 /nfs/dbraw/zinc/59/63/91/941596391.db2.gz QVSROPXFIQBJRU-LEWJYISDSA-N 2 1 354.494 3.603 20 0 FHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000415109729 941606824 /nfs/dbraw/zinc/60/68/24/941606824.db2.gz OEVRUODENGEIMR-IRXDYDNUSA-N 2 1 360.395 3.563 20 0 FHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC000415118859 941614422 /nfs/dbraw/zinc/61/44/22/941614422.db2.gz DPYVKSZKDWYBAZ-DZGCQCFKSA-N 2 1 361.288 3.851 20 0 FHADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124648 941620555 /nfs/dbraw/zinc/62/05/55/941620555.db2.gz MWBNYYSLZWGMBR-DOTOQJQBSA-N 2 1 373.324 3.720 20 0 FHADMP [NH3+]C1(CNCc2cc3cc(F)ccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140392 941627179 /nfs/dbraw/zinc/62/71/79/941627179.db2.gz ZCCYFXJHCNCWEO-UHFFFAOYSA-N 2 1 367.468 3.655 20 0 FHADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000174894491 941769558 /nfs/dbraw/zinc/76/95/58/941769558.db2.gz GGUAYYMTQFQKBO-SFHVURJKSA-N 2 1 367.990 3.534 20 0 FHADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000174894491 941769560 /nfs/dbraw/zinc/76/95/60/941769560.db2.gz GGUAYYMTQFQKBO-SFHVURJKSA-N 2 1 367.990 3.534 20 0 FHADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513204667 941780500 /nfs/dbraw/zinc/78/05/00/941780500.db2.gz UGSSTQFPZAQFEK-PMACEKPBSA-N 2 1 366.496 3.610 20 0 FHADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698471 941909336 /nfs/dbraw/zinc/90/93/36/941909336.db2.gz PCFWMMBEJAJVGO-UHFFFAOYSA-N 2 1 365.456 3.712 20 0 FHADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698712 941909576 /nfs/dbraw/zinc/90/95/76/941909576.db2.gz KLSVLLCIOFHXCJ-UHFFFAOYSA-N 2 1 367.493 3.828 20 0 FHADMP CC(C)[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377708367 941916746 /nfs/dbraw/zinc/91/67/46/941916746.db2.gz XIKZSVSBLDZHDF-HNTVYWHESA-N 2 1 355.570 3.669 20 0 FHADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000377720452 941934287 /nfs/dbraw/zinc/93/42/87/941934287.db2.gz NIMDGCQRBBQMFE-INIZCTEOSA-N 2 1 358.461 3.639 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133211 941943316 /nfs/dbraw/zinc/94/33/16/941943316.db2.gz JWYIBQVNLDZGRF-FQEVSTJZSA-N 2 1 369.578 3.935 20 0 FHADMP Cc1[nH]nc2ncc(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513495240 941962401 /nfs/dbraw/zinc/96/24/01/941962401.db2.gz NEXKQICVYQHTKM-QFBILLFUSA-N 2 1 363.509 3.657 20 0 FHADMP CCn1nc(C)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513501418 941973600 /nfs/dbraw/zinc/97/36/00/941973600.db2.gz SUJNSBIQTJXNRC-UTKZUKDTSA-N 2 1 354.542 3.910 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549342057 942012041 /nfs/dbraw/zinc/01/20/41/942012041.db2.gz PCKUQNRTKPWJDT-MOPGFXCFSA-N 2 1 364.896 3.798 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415908484 942127895 /nfs/dbraw/zinc/12/78/95/942127895.db2.gz PPWGMBPYWPOSID-OAQYLSRUSA-N 2 1 366.509 3.582 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000415904169 942130651 /nfs/dbraw/zinc/13/06/51/942130651.db2.gz GIPJXQYYWOXCJV-OAQYLSRUSA-N 2 1 366.509 3.582 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000415911747 942145953 /nfs/dbraw/zinc/14/59/53/942145953.db2.gz FJLLHOODZFGYAQ-UHFFFAOYSA-N 2 1 368.481 3.575 20 0 FHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415912480 942147217 /nfs/dbraw/zinc/14/72/17/942147217.db2.gz LLMQBWWZSKLUCC-YLJYHZDGSA-N 2 1 366.509 3.581 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000415928460 942164752 /nfs/dbraw/zinc/16/47/52/942164752.db2.gz FLRHLFBMICRPKD-UHFFFAOYSA-N 2 1 372.557 3.916 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000651225494 942166632 /nfs/dbraw/zinc/16/66/32/942166632.db2.gz CNIPOXPAVAUCSZ-KBXCAEBGSA-N 2 1 351.332 3.702 20 0 FHADMP C[C@@H](CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000472931383 942169278 /nfs/dbraw/zinc/16/92/78/942169278.db2.gz SLYQPJNLWZNCDH-KRWDZBQOSA-N 2 1 374.573 3.505 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000415969615 942215307 /nfs/dbraw/zinc/21/53/07/942215307.db2.gz GRLONHQYOYTEBT-GOSISDBHSA-N 2 1 366.509 3.534 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000415976918 942219452 /nfs/dbraw/zinc/21/94/52/942219452.db2.gz WWMZUIHBLHRHNI-UHFFFAOYSA-N 2 1 366.509 3.534 20 0 FHADMP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCCC[C@@H]1C ZINC000415978177 942220843 /nfs/dbraw/zinc/22/08/43/942220843.db2.gz XGEFLFFQPHZFQC-QWHCGFSZSA-N 2 1 372.435 3.549 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415980248 942223279 /nfs/dbraw/zinc/22/32/79/942223279.db2.gz SEMDUJSYEHCONA-QGZVFWFLSA-N 2 1 366.509 3.699 20 0 FHADMP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000415981061 942224984 /nfs/dbraw/zinc/22/49/84/942224984.db2.gz UOTOMNUOWQZPBJ-XLIONFOSSA-N 2 1 366.509 3.568 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000415987046 942228742 /nfs/dbraw/zinc/22/87/42/942228742.db2.gz WGTWPVXWVQVCBF-GOSISDBHSA-N 2 1 372.557 3.914 20 0 FHADMP FC(F)(F)CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000420911900 942250913 /nfs/dbraw/zinc/25/09/13/942250913.db2.gz GTAQNJQRSGPFDN-UHFFFAOYSA-N 2 1 356.432 3.683 20 0 FHADMP FC(F)(F)CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000420911900 942250915 /nfs/dbraw/zinc/25/09/15/942250915.db2.gz GTAQNJQRSGPFDN-UHFFFAOYSA-N 2 1 356.432 3.683 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1)CC(C)C ZINC000416011639 942252809 /nfs/dbraw/zinc/25/28/09/942252809.db2.gz PVHSJULHLNFKMR-UHFFFAOYSA-N 2 1 372.557 3.902 20 0 FHADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420914875 942266394 /nfs/dbraw/zinc/26/63/94/942266394.db2.gz KRUKXLASBBFNCY-VSKRKVRLSA-N 2 1 372.553 3.544 20 0 FHADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420914875 942266396 /nfs/dbraw/zinc/26/63/96/942266396.db2.gz KRUKXLASBBFNCY-VSKRKVRLSA-N 2 1 372.553 3.544 20 0 FHADMP FC(F)(F)C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420948419 942270273 /nfs/dbraw/zinc/27/02/73/942270273.db2.gz NWFSGBRNBZYKNX-GOSISDBHSA-N 2 1 356.432 3.683 20 0 FHADMP FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420948419 942270275 /nfs/dbraw/zinc/27/02/75/942270275.db2.gz NWFSGBRNBZYKNX-GOSISDBHSA-N 2 1 356.432 3.683 20 0 FHADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045731 942273330 /nfs/dbraw/zinc/27/33/30/942273330.db2.gz JZYTVKXPUHRMKF-IBGZPJMESA-N 2 1 374.573 3.561 20 0 FHADMP Cc1ccc(C)c(OCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501082178 942300686 /nfs/dbraw/zinc/30/06/86/942300686.db2.gz QWOXBRROCNDSOA-UHFFFAOYSA-N 2 1 353.510 3.926 20 0 FHADMP CC(C)Oc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000188155347 942351443 /nfs/dbraw/zinc/35/14/43/942351443.db2.gz DBFWCSBXUDTHQX-UHFFFAOYSA-N 2 1 367.965 3.585 20 0 FHADMP Clc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000419695333 942354435 /nfs/dbraw/zinc/35/44/35/942354435.db2.gz RVUZIOGTOHONSO-KKUMJFAQSA-N 2 1 354.325 3.789 20 0 FHADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042652 942389548 /nfs/dbraw/zinc/38/95/48/942389548.db2.gz XDDCTPMELMMYIN-DENIHFKCSA-N 2 1 356.485 3.751 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148226 942398849 /nfs/dbraw/zinc/39/88/49/942398849.db2.gz ZLRQJVYWESGIDG-IZZBFERCSA-N 2 1 357.542 3.543 20 0 FHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502430227 942428262 /nfs/dbraw/zinc/42/82/62/942428262.db2.gz KKADHZQWJVLRBI-WEMPKCCASA-N 2 1 360.542 3.591 20 0 FHADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000501386638 942441961 /nfs/dbraw/zinc/44/19/61/942441961.db2.gz MCRIOABJLCHZIM-FQEVSTJZSA-N 2 1 352.522 3.912 20 0 FHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416192196 942458229 /nfs/dbraw/zinc/45/82/29/942458229.db2.gz ASQDFESRCYGDGP-KRWDZBQOSA-N 2 1 372.538 3.541 20 0 FHADMP CC(C)[N@H+]1CCc2nc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416192196 942458233 /nfs/dbraw/zinc/45/82/33/942458233.db2.gz ASQDFESRCYGDGP-KRWDZBQOSA-N 2 1 372.538 3.541 20 0 FHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)C[C@H](C)O1 ZINC000421351615 942503126 /nfs/dbraw/zinc/50/31/26/942503126.db2.gz CJTNDFBJDNCXLW-KDURUIRLSA-N 2 1 372.553 3.654 20 0 FHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)C[C@H](C)O1 ZINC000421351615 942503129 /nfs/dbraw/zinc/50/31/29/942503129.db2.gz CJTNDFBJDNCXLW-KDURUIRLSA-N 2 1 372.553 3.654 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000513819156 942536998 /nfs/dbraw/zinc/53/69/98/942536998.db2.gz QVLPVNSBAGEIII-HDICACEKSA-N 2 1 357.567 3.892 20 0 FHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000513819156 942537003 /nfs/dbraw/zinc/53/70/03/942537003.db2.gz QVLPVNSBAGEIII-HDICACEKSA-N 2 1 357.567 3.892 20 0 FHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc(-c2ccc(Cl)cc2)n1 ZINC000420303190 942612273 /nfs/dbraw/zinc/61/22/73/942612273.db2.gz HLHDJVWCOHHGHM-UHFFFAOYSA-N 2 1 356.901 3.681 20 0 FHADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420304151 942612360 /nfs/dbraw/zinc/61/23/60/942612360.db2.gz LAUHAWVYQCTLGU-QGZVFWFLSA-N 2 1 358.505 3.860 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@H]12 ZINC000420312553 942616051 /nfs/dbraw/zinc/61/60/51/942616051.db2.gz SLYNCNFSDCRWQX-CJXUKZFBSA-N 2 1 359.473 3.761 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@H]12 ZINC000420312553 942616055 /nfs/dbraw/zinc/61/60/55/942616055.db2.gz SLYNCNFSDCRWQX-CJXUKZFBSA-N 2 1 359.473 3.761 20 0 FHADMP C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420313585 942617464 /nfs/dbraw/zinc/61/74/64/942617464.db2.gz YCXFCVACTYDQFC-QGZVFWFLSA-N 2 1 358.505 3.860 20 0 FHADMP Fc1cccc(F)c1-c1csc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000420316827 942619196 /nfs/dbraw/zinc/61/91/96/942619196.db2.gz NTZIEWPIHOVLMI-AWEZNQCLSA-N 2 1 363.477 3.910 20 0 FHADMP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320448 942621368 /nfs/dbraw/zinc/62/13/68/942621368.db2.gz QFFLJDMXVPZOIQ-YCRPNKLZSA-N 2 1 372.534 3.712 20 0 FHADMP [NH3+]C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CC12CCOCC2 ZINC000420326294 942629524 /nfs/dbraw/zinc/62/95/24/942629524.db2.gz JSJBLMSPPPJWDA-OAHLLOKOSA-N 2 1 354.947 3.510 20 0 FHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327927 942630473 /nfs/dbraw/zinc/63/04/73/942630473.db2.gz LSWXBKUKPFMAQX-KBMXLJTQSA-N 2 1 360.889 3.773 20 0 FHADMP CC(C)c1ccc([C@H](NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C(C)C)cc1 ZINC000420358758 942636958 /nfs/dbraw/zinc/63/69/58/942636958.db2.gz JDBGCHIRMOAHTA-TZIWHRDSSA-N 2 1 359.558 3.601 20 0 FHADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420361206 942638907 /nfs/dbraw/zinc/63/89/07/942638907.db2.gz HXNWOYMBBZUIOS-YVHKJVDXSA-N 2 1 367.493 3.784 20 0 FHADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365401 942640972 /nfs/dbraw/zinc/64/09/72/942640972.db2.gz SAKQIQXBJJJHOY-YJBOKZPZSA-N 2 1 359.539 3.766 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1F ZINC000420379984 942647318 /nfs/dbraw/zinc/64/73/18/942647318.db2.gz BXYSNNKTUUADKT-MJGOQNOKSA-N 2 1 372.488 3.581 20 0 FHADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420408398 942664385 /nfs/dbraw/zinc/66/43/85/942664385.db2.gz WGFILJUJWIFECC-UXHICEINSA-N 2 1 360.505 3.965 20 0 FHADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901939 942665277 /nfs/dbraw/zinc/66/52/77/942665277.db2.gz XQSGQFNUNRJVHP-UYAOXDASSA-N 2 1 351.494 3.632 20 0 FHADMP c1ccc(COc2cncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cc1 ZINC000420411925 942666121 /nfs/dbraw/zinc/66/61/21/942666121.db2.gz YUPCHTMPAMBSJD-RBBKRZOGSA-N 2 1 351.494 3.625 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cc1 ZINC000420411925 942666123 /nfs/dbraw/zinc/66/61/23/942666123.db2.gz YUPCHTMPAMBSJD-RBBKRZOGSA-N 2 1 351.494 3.625 20 0 FHADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1OC ZINC000502708422 942674210 /nfs/dbraw/zinc/67/42/10/942674210.db2.gz XPRQKJJSZLXFCU-UXHICEINSA-N 2 1 360.542 3.975 20 0 FHADMP COc1ccc(CC[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000502708422 942674215 /nfs/dbraw/zinc/67/42/15/942674215.db2.gz XPRQKJJSZLXFCU-UXHICEINSA-N 2 1 360.542 3.975 20 0 FHADMP COc1ccc(CC[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000502708422 942674218 /nfs/dbraw/zinc/67/42/18/942674218.db2.gz XPRQKJJSZLXFCU-UXHICEINSA-N 2 1 360.542 3.975 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)nc1 ZINC000182246413 942700174 /nfs/dbraw/zinc/70/01/74/942700174.db2.gz GWDMFOLJXRJVNS-DNVCBOLYSA-N 2 1 359.901 3.543 20 0 FHADMP CC(C)CNC(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979207 942735252 /nfs/dbraw/zinc/73/52/52/942735252.db2.gz JYDYBPAPWHDMFW-QHCPKHFHSA-N 2 1 371.569 3.527 20 0 FHADMP CC(C)CNC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659979207 942735253 /nfs/dbraw/zinc/73/52/53/942735253.db2.gz JYDYBPAPWHDMFW-QHCPKHFHSA-N 2 1 371.569 3.527 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000513755020 942752936 /nfs/dbraw/zinc/75/29/36/942752936.db2.gz PFXCIZRRZAOKTJ-UHFFFAOYSA-N 2 1 352.478 3.759 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758034 /nfs/dbraw/zinc/75/80/34/942758034.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@@H+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758038 /nfs/dbraw/zinc/75/80/38/942758038.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[N@H+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758042 /nfs/dbraw/zinc/75/80/42/942758042.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 2 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758046 /nfs/dbraw/zinc/75/80/46/942758046.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[NH+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758050 /nfs/dbraw/zinc/75/80/50/942758050.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758052 /nfs/dbraw/zinc/75/80/52/942758052.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 3 1 367.581 3.894 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[N@H+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758059 /nfs/dbraw/zinc/75/80/59/942758059.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 3 1 367.581 3.894 20 0 FHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000514136805 942774639 /nfs/dbraw/zinc/77/46/39/942774639.db2.gz BBPTUJVCUAWINN-TZIWHRDSSA-N 2 1 374.573 3.552 20 0 FHADMP CC[C@@H](C)NC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000363830521 942779359 /nfs/dbraw/zinc/77/93/59/942779359.db2.gz QMCVHXRRZNNPBA-QGZVFWFLSA-N 2 1 357.542 3.712 20 0 FHADMP CC(=O)N1CC[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000378501730 942832104 /nfs/dbraw/zinc/83/21/04/942832104.db2.gz WNHFFVUSLSXAKB-PGRDOPGGSA-N 2 1 357.542 3.724 20 0 FHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3(OC)CCCCC3)CCCC2)CC1 ZINC000421830792 942837125 /nfs/dbraw/zinc/83/71/25/942837125.db2.gz KHSKLBGICIBXFX-SFHVURJKSA-N 2 1 352.563 3.737 20 0 FHADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C(C)C)c(F)c1 ZINC000421832095 942837662 /nfs/dbraw/zinc/83/76/62/942837662.db2.gz MIKPFTUQPRRSPD-KKSFZXQISA-N 2 1 364.505 3.622 20 0 FHADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C(C)C)c(F)c1 ZINC000421832092 942837698 /nfs/dbraw/zinc/83/76/98/942837698.db2.gz MIKPFTUQPRRSPD-HRAATJIYSA-N 2 1 364.505 3.622 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421836258 942839031 /nfs/dbraw/zinc/83/90/31/942839031.db2.gz GQKJBXSBIJFILW-CRAIPNDOSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421836258 942839036 /nfs/dbraw/zinc/83/90/36/942839036.db2.gz GQKJBXSBIJFILW-CRAIPNDOSA-N 2 1 359.901 3.543 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000514238520 942853228 /nfs/dbraw/zinc/85/32/28/942853228.db2.gz FMOHEILXSCAQBL-KIZRIRGWSA-N 2 1 360.542 3.666 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000421884110 942864355 /nfs/dbraw/zinc/86/43/55/942864355.db2.gz UAWIPUQSGXKJFO-HOIMLPCSSA-N 3 1 355.570 3.892 20 0 FHADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000421884110 942864362 /nfs/dbraw/zinc/86/43/62/942864362.db2.gz UAWIPUQSGXKJFO-HOIMLPCSSA-N 2 1 355.570 3.892 20 0 FHADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688679 942865654 /nfs/dbraw/zinc/86/56/54/942865654.db2.gz ORRNEBQSUPPSFA-IEBWSBKVSA-N 2 1 372.557 3.578 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503048265 942939282 /nfs/dbraw/zinc/93/92/82/942939282.db2.gz BBIOIQJZFNXPJA-QRVBRYPASA-N 2 1 374.573 3.535 20 0 FHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414856448 943002607 /nfs/dbraw/zinc/00/26/07/943002607.db2.gz ZDOUFWFRIYXZJS-HNAYVOBHSA-N 2 1 365.949 3.574 20 0 FHADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000503191474 943050866 /nfs/dbraw/zinc/05/08/66/943050866.db2.gz IRZZPMBPGDJLJN-IBGZPJMESA-N 2 1 351.498 3.794 20 0 FHADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000503191474 943050876 /nfs/dbraw/zinc/05/08/76/943050876.db2.gz IRZZPMBPGDJLJN-IBGZPJMESA-N 2 1 351.498 3.794 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651318 943097552 /nfs/dbraw/zinc/09/75/52/943097552.db2.gz BXRHDKDHZJBQLT-IRXDYDNUSA-N 2 1 353.514 3.619 20 0 FHADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272281166 943128200 /nfs/dbraw/zinc/12/82/00/943128200.db2.gz ADKXGSGLOZPSCO-HUUJSLGLSA-N 2 1 350.510 3.583 20 0 FHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414660072 943135768 /nfs/dbraw/zinc/13/57/68/943135768.db2.gz MDOWUUNCPHEBFM-OAQYLSRUSA-N 2 1 363.509 3.740 20 0 FHADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272381934 943146821 /nfs/dbraw/zinc/14/68/21/943146821.db2.gz BZCQXFGIUIVYBF-DYESRHJHSA-N 2 1 351.494 3.645 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662873 943148400 /nfs/dbraw/zinc/14/84/00/943148400.db2.gz ZXLGCBPNSJNSRO-LJQANCHMSA-N 2 1 354.542 3.660 20 0 FHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662873 943148403 /nfs/dbraw/zinc/14/84/03/943148403.db2.gz ZXLGCBPNSJNSRO-LJQANCHMSA-N 2 1 354.542 3.660 20 0 FHADMP Cc1noc(C2CCC([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536234 943173299 /nfs/dbraw/zinc/17/32/99/943173299.db2.gz BEOYDFDXIOMZRD-QGZBPCDMSA-N 2 1 368.525 3.904 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000510025434 943209035 /nfs/dbraw/zinc/20/90/35/943209035.db2.gz DUOPYLPOSSAEKB-GOSISDBHSA-N 2 1 363.889 3.583 20 0 FHADMP Cc1ccc2c(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc(=O)oc2c1 ZINC000185741148 943215388 /nfs/dbraw/zinc/21/53/88/943215388.db2.gz CHDKBZKHGZTTLA-IRXDYDNUSA-N 2 1 354.494 3.844 20 0 FHADMP Cc1ccc2c(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc(=O)oc2c1 ZINC000185741148 943215393 /nfs/dbraw/zinc/21/53/93/943215393.db2.gz CHDKBZKHGZTTLA-IRXDYDNUSA-N 2 1 354.494 3.844 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837039 943230295 /nfs/dbraw/zinc/23/02/95/943230295.db2.gz IHQNAHBLHGQHEM-XLIONFOSSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837039 943230300 /nfs/dbraw/zinc/23/03/00/943230300.db2.gz IHQNAHBLHGQHEM-XLIONFOSSA-N 2 1 370.566 3.612 20 0 FHADMP Cc1sc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1C(C)C ZINC000422704148 943238865 /nfs/dbraw/zinc/23/88/65/943238865.db2.gz JXSGSTLCRQKILB-OXJNMPFZSA-N 2 1 357.523 3.920 20 0 FHADMP Cc1sc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1C(C)C ZINC000422704142 943238878 /nfs/dbraw/zinc/23/88/78/943238878.db2.gz JXSGSTLCRQKILB-JXFKEZNVSA-N 2 1 357.523 3.920 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422748863 943270449 /nfs/dbraw/zinc/27/04/49/943270449.db2.gz WNTGUGRJUZRHPA-WMZOPIPTSA-N 2 1 352.526 3.725 20 0 FHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000093006875 943276668 /nfs/dbraw/zinc/27/66/68/943276668.db2.gz PDKKXVLXDGYURG-SANMLTNESA-N 2 1 370.562 3.768 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422794369 943285775 /nfs/dbraw/zinc/28/57/75/943285775.db2.gz UFOOBVVSPOOUGN-UXHICEINSA-N 2 1 350.441 3.648 20 0 FHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422828532 943298117 /nfs/dbraw/zinc/29/81/17/943298117.db2.gz UBDODPSAXCNSGC-SJORKVTESA-N 2 1 373.884 3.720 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836861 943300255 /nfs/dbraw/zinc/30/02/55/943300255.db2.gz KSEDREYIRFTFSZ-VNHKHXMHSA-N 2 1 351.538 3.588 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422862618 943309403 /nfs/dbraw/zinc/30/94/03/943309403.db2.gz NTTQKZGJAUXNJZ-ZWKOTPCHSA-N 3 1 366.553 3.931 20 0 FHADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841645 943311582 /nfs/dbraw/zinc/31/15/82/943311582.db2.gz DJWRQLJXZSMHRC-VQTJNVASSA-N 2 1 355.457 3.828 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425327881 943319951 /nfs/dbraw/zinc/31/99/51/943319951.db2.gz SGDGQMOHYRYVDY-AWEZNQCLSA-N 2 1 364.559 3.503 20 0 FHADMP C[NH+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425327881 943319958 /nfs/dbraw/zinc/31/99/58/943319958.db2.gz SGDGQMOHYRYVDY-AWEZNQCLSA-N 2 1 364.559 3.503 20 0 FHADMP C[NH+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425327881 943319961 /nfs/dbraw/zinc/31/99/61/943319961.db2.gz SGDGQMOHYRYVDY-AWEZNQCLSA-N 2 1 364.559 3.503 20 0 FHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000422904830 943326410 /nfs/dbraw/zinc/32/64/10/943326410.db2.gz QXIFORUDWLUIRT-MAUKXSAKSA-N 2 1 366.933 3.517 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414707258 943342967 /nfs/dbraw/zinc/34/29/67/943342967.db2.gz HLRHGXUWFMKGDP-HKUYNNGSSA-N 2 1 370.541 3.524 20 0 FHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000422966811 943343850 /nfs/dbraw/zinc/34/38/50/943343850.db2.gz ASWSCTRICSIHMW-PXNSSMCTSA-N 2 1 369.509 3.610 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422958383 943349463 /nfs/dbraw/zinc/34/94/63/943349463.db2.gz XMXHPABUVWZNEG-IXDOHACOSA-N 2 1 368.525 3.631 20 0 FHADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000422994963 943353349 /nfs/dbraw/zinc/35/33/49/943353349.db2.gz WQSOZTNPXPCAPL-BKTGTZMESA-N 2 1 364.411 3.591 20 0 FHADMP C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000414709478 943354591 /nfs/dbraw/zinc/35/45/91/943354591.db2.gz JZJAROZSANBOKK-MJGOQNOKSA-N 2 1 372.557 3.900 20 0 FHADMP CCC[N@@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)C1CC[NH2+]CC1 ZINC000435372531 943366086 /nfs/dbraw/zinc/36/60/86/943366086.db2.gz RSSOWQVEEMTFCR-UHFFFAOYSA-N 2 1 369.509 3.633 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1 ZINC000435380315 943369187 /nfs/dbraw/zinc/36/91/87/943369187.db2.gz NLGAVOCQEONTHV-QGZVFWFLSA-N 2 1 356.466 3.537 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1 ZINC000435380315 943369193 /nfs/dbraw/zinc/36/91/93/943369193.db2.gz NLGAVOCQEONTHV-QGZVFWFLSA-N 2 1 356.466 3.537 20 0 FHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000435381700 943369946 /nfs/dbraw/zinc/36/99/46/943369946.db2.gz VITGFUUEAUXWGD-NSISKUIASA-N 2 1 369.896 3.761 20 0 FHADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423061565 943378640 /nfs/dbraw/zinc/37/86/40/943378640.db2.gz KYIMVXSIBKNBJG-DNVJHFABSA-N 2 1 350.506 3.909 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435396962 943391439 /nfs/dbraw/zinc/39/14/39/943391439.db2.gz BDDAYVYYLQXCOZ-YOFSQIOKSA-N 2 1 372.944 3.916 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435396962 943391445 /nfs/dbraw/zinc/39/14/45/943391445.db2.gz BDDAYVYYLQXCOZ-YOFSQIOKSA-N 2 1 372.944 3.916 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000423127867 943399876 /nfs/dbraw/zinc/39/98/76/943399876.db2.gz PTVBVMBLTHAYSK-SECBINFHSA-N 2 1 359.342 3.997 20 0 FHADMP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423107690 943403374 /nfs/dbraw/zinc/40/33/74/943403374.db2.gz QANYTWARTQTUAV-DOPJRALCSA-N 2 1 356.432 3.903 20 0 FHADMP CCc1nc2cc(C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000423111344 943404186 /nfs/dbraw/zinc/40/41/86/943404186.db2.gz IWNNQCCIPRBPPL-OXJNMPFZSA-N 2 1 362.521 3.982 20 0 FHADMP C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112151 943405386 /nfs/dbraw/zinc/40/53/86/943405386.db2.gz XFPMFRMUAUWKMV-KUKCLKHKSA-N 2 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112151 943405390 /nfs/dbraw/zinc/40/53/90/943405390.db2.gz XFPMFRMUAUWKMV-KUKCLKHKSA-N 3 1 361.961 3.984 20 0 FHADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112151 943405393 /nfs/dbraw/zinc/40/53/93/943405393.db2.gz XFPMFRMUAUWKMV-KUKCLKHKSA-N 3 1 361.961 3.984 20 0 FHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423148690 943408741 /nfs/dbraw/zinc/40/87/41/943408741.db2.gz WHYGDEOITPIBIR-ZYSHUDEJSA-N 2 1 358.917 3.926 20 0 FHADMP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423134449 943414483 /nfs/dbraw/zinc/41/44/83/943414483.db2.gz RXDFRLGPJMOMHK-KSEOMHKRSA-N 2 1 354.469 3.739 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423179850 943428975 /nfs/dbraw/zinc/42/89/75/943428975.db2.gz AJWJEQWMNAKRMC-HNNXBMFYSA-N 2 1 367.522 3.739 20 0 FHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423180365 943429127 /nfs/dbraw/zinc/42/91/27/943429127.db2.gz AZJWEGJMONGVAL-KRWDZBQOSA-N 2 1 364.415 3.642 20 0 FHADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000423187172 943434457 /nfs/dbraw/zinc/43/44/57/943434457.db2.gz MCTOBEDCKMMNBB-NRFANRHFSA-N 2 1 351.494 3.554 20 0 FHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1OC(F)(F)F ZINC000423193995 943437873 /nfs/dbraw/zinc/43/78/73/943437873.db2.gz XXDSEQFGUZVIBI-CQSZACIVSA-N 2 1 353.388 3.811 20 0 FHADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423204222 943441358 /nfs/dbraw/zinc/44/13/58/943441358.db2.gz DENOSSKOVRRYFP-MNOVXSKESA-N 2 1 350.356 3.540 20 0 FHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423286403 943464666 /nfs/dbraw/zinc/46/46/66/943464666.db2.gz GZYOMDPVAJAIMM-DOTOQJQBSA-N 2 1 352.494 3.942 20 0 FHADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000423316711 943473383 /nfs/dbraw/zinc/47/33/83/943473383.db2.gz AIMPXBBAQFOUGP-UQVLAFNGSA-N 2 1 356.432 3.851 20 0 FHADMP CC(C)C[C@H]([NH3+])C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734351 943484164 /nfs/dbraw/zinc/48/41/64/943484164.db2.gz DOLGLZNSVNJEQN-KRWDZBQOSA-N 2 1 369.347 3.804 20 0 FHADMP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734351 943484167 /nfs/dbraw/zinc/48/41/67/943484167.db2.gz DOLGLZNSVNJEQN-KRWDZBQOSA-N 2 1 369.347 3.804 20 0 FHADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423341588 943484948 /nfs/dbraw/zinc/48/49/48/943484948.db2.gz YLKQEXSOXQYBOI-AMIZOPFISA-N 2 1 351.210 3.856 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423385154 943498479 /nfs/dbraw/zinc/49/84/79/943498479.db2.gz GKHZNMPEAAVLKV-KWBADKCTSA-N 2 1 350.356 3.538 20 0 FHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000423375731 943504053 /nfs/dbraw/zinc/50/40/53/943504053.db2.gz IUHKBANQXZIUPK-OAHLLOKOSA-N 2 1 355.507 3.507 20 0 FHADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C(C)C)c(Br)c1 ZINC000423407901 943509324 /nfs/dbraw/zinc/50/93/24/943509324.db2.gz WMOUGRWKVTXMML-OAUYIBNBSA-N 2 1 355.320 3.742 20 0 FHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000423426954 943515488 /nfs/dbraw/zinc/51/54/88/943515488.db2.gz PYPMJMVQMNXKKB-YJLNNSPDSA-N 2 1 357.523 3.581 20 0 FHADMP Fc1ccc(OCCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435617436 943517699 /nfs/dbraw/zinc/51/76/99/943517699.db2.gz NKVXFUPWRUUKRW-FQEVSTJZSA-N 2 1 357.473 3.634 20 0 FHADMP Fc1ccc(OCCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435617436 943517701 /nfs/dbraw/zinc/51/77/01/943517701.db2.gz NKVXFUPWRUUKRW-FQEVSTJZSA-N 2 1 357.473 3.634 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423464297 943523286 /nfs/dbraw/zinc/52/32/86/943523286.db2.gz QRLJBXCRTPXAFK-UKOIYDHJSA-N 2 1 353.554 3.535 20 0 FHADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423464297 943523289 /nfs/dbraw/zinc/52/32/89/943523289.db2.gz QRLJBXCRTPXAFK-UKOIYDHJSA-N 2 1 353.554 3.535 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347266 943535044 /nfs/dbraw/zinc/53/50/44/943535044.db2.gz VQNIQDMLTOCEJS-LRGNLBRXSA-N 2 1 370.562 3.987 20 0 FHADMP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515888 943542832 /nfs/dbraw/zinc/54/28/32/943542832.db2.gz XNVUTKYUQYPPOI-VGSWGCGISA-N 3 1 355.526 3.540 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423517478 943543256 /nfs/dbraw/zinc/54/32/56/943543256.db2.gz YXEINCAXYZOWQD-SXSPYAJSSA-N 2 1 351.538 3.749 20 0 FHADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc21 ZINC000423519698 943544064 /nfs/dbraw/zinc/54/40/64/943544064.db2.gz QDWYUKFGMXGPJG-IVMQYODDSA-N 2 1 371.525 3.699 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518046 943544104 /nfs/dbraw/zinc/54/41/04/943544104.db2.gz ZCSNVHZIENLEFL-RDTXWAMCSA-N 2 1 358.482 3.625 20 0 FHADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCS2 ZINC000423521098 943544854 /nfs/dbraw/zinc/54/48/54/943544854.db2.gz SDFIBFWSSVKCDJ-HTWSVDAQSA-N 2 1 365.974 3.683 20 0 FHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423522230 943545708 /nfs/dbraw/zinc/54/57/08/943545708.db2.gz UFIBUZBWJKKYSE-VYMRPNJYSA-N 2 1 372.582 3.594 20 0 FHADMP Cn1ccnc1C[N@@H+](CCCc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693521 943560921 /nfs/dbraw/zinc/56/09/21/943560921.db2.gz MKFOBQQXKJHHBV-LJQANCHMSA-N 2 1 372.944 3.650 20 0 FHADMP COc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000515204645 943565558 /nfs/dbraw/zinc/56/55/58/943565558.db2.gz JQYPWIVTCHVDCU-RQXXJAGISA-N 2 1 353.510 3.897 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CCCC2 ZINC000515208171 943567304 /nfs/dbraw/zinc/56/73/04/943567304.db2.gz RKIRSDGXOGOABX-FSSWDIPSSA-N 2 1 364.537 3.752 20 0 FHADMP c1nc2n(c1C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CCCC2 ZINC000515208171 943567307 /nfs/dbraw/zinc/56/73/07/943567307.db2.gz RKIRSDGXOGOABX-FSSWDIPSSA-N 2 1 364.537 3.752 20 0 FHADMP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414756052 943594077 /nfs/dbraw/zinc/59/40/77/943594077.db2.gz QBIINMPUWBKEQH-UYAOXDASSA-N 2 1 353.510 3.523 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1noc2c1CCCC2 ZINC000647934101 943637278 /nfs/dbraw/zinc/63/72/78/943637278.db2.gz RJYVHIVMRDULLU-GHTZIAJQSA-N 2 1 353.510 3.726 20 0 FHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000647934101 943637280 /nfs/dbraw/zinc/63/72/80/943637280.db2.gz RJYVHIVMRDULLU-GHTZIAJQSA-N 2 1 353.510 3.726 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1noc2c1CCCC2 ZINC000647934102 943637320 /nfs/dbraw/zinc/63/73/20/943637320.db2.gz RJYVHIVMRDULLU-NQIIRXRSSA-N 2 1 353.510 3.726 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000647934102 943637322 /nfs/dbraw/zinc/63/73/22/943637322.db2.gz RJYVHIVMRDULLU-NQIIRXRSSA-N 2 1 353.510 3.726 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763946 943637724 /nfs/dbraw/zinc/63/77/24/943637724.db2.gz CUXAVZLVZFYWCH-CALCHBBNSA-N 2 1 358.917 3.574 20 0 FHADMP CC(C)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000584804996 943642126 /nfs/dbraw/zinc/64/21/26/943642126.db2.gz WHFIWJPXHSRXFH-HXUWFJFHSA-N 2 1 363.452 3.787 20 0 FHADMP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772471 943706289 /nfs/dbraw/zinc/70/62/89/943706289.db2.gz UQXOINCJVYREAH-GASCZTMLSA-N 2 1 353.491 3.988 20 0 FHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424143966 943750073 /nfs/dbraw/zinc/75/00/73/943750073.db2.gz KLJRPMHTXSVAKH-OALUTQOASA-N 2 1 360.546 3.687 20 0 FHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424130205 943757522 /nfs/dbraw/zinc/75/75/22/943757522.db2.gz HCDGFBSCBKFUCY-QUCCMNQESA-N 2 1 351.579 3.693 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000424238381 943800342 /nfs/dbraw/zinc/80/03/42/943800342.db2.gz KWVADAUFRCOWPJ-SFHVURJKSA-N 2 1 366.509 3.899 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000424238378 943800414 /nfs/dbraw/zinc/80/04/14/943800414.db2.gz KWVADAUFRCOWPJ-GOSISDBHSA-N 2 1 366.509 3.899 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCc3ccccn3)cc1)CC[NH2+]CC2 ZINC000424288600 943820246 /nfs/dbraw/zinc/82/02/46/943820246.db2.gz KTVTXTHGQGCSOG-GOSISDBHSA-N 2 1 351.494 3.625 20 0 FHADMP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414905346 943823008 /nfs/dbraw/zinc/82/30/08/943823008.db2.gz ONDIULGIDPEUDV-OAQYLSRUSA-N 2 1 371.529 3.940 20 0 FHADMP C[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000435869007 943823467 /nfs/dbraw/zinc/82/34/67/943823467.db2.gz APTTXEIOBGWMCU-GOSISDBHSA-N 2 1 363.299 3.746 20 0 FHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3[C@H](C)C[N@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424301999 943851583 /nfs/dbraw/zinc/85/15/83/943851583.db2.gz LPADEJQRYWAJEW-VRXIAXDYSA-N 2 1 356.554 3.936 20 0 FHADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccc(Cl)cc1 ZINC000414785514 943879875 /nfs/dbraw/zinc/87/98/75/943879875.db2.gz JFVZZYRLGQVCPU-UHFFFAOYSA-N 2 1 360.885 3.769 20 0 FHADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000516964579 943884605 /nfs/dbraw/zinc/88/46/05/943884605.db2.gz WGFAFTJBZDVYJJ-WMZOPIPTSA-N 2 1 352.494 3.812 20 0 FHADMP COC(=O)[C@H](CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431995 943908198 /nfs/dbraw/zinc/90/81/98/943908198.db2.gz JKJSRQFFIZSCHT-SLYNCCJLSA-N 2 1 358.526 3.576 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000417849065 943908987 /nfs/dbraw/zinc/90/89/87/943908987.db2.gz CEGWWFVKMIGLNT-INIZCTEOSA-N 2 1 369.513 3.593 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000424438112 943914385 /nfs/dbraw/zinc/91/43/85/943914385.db2.gz OXAOHPGXOPBKJF-INIZCTEOSA-N 2 1 372.538 3.549 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000417973419 944027411 /nfs/dbraw/zinc/02/74/11/944027411.db2.gz CKXMJXQAGWVKQA-XPWALMASSA-N 2 1 350.506 3.537 20 0 FHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500059457 944031471 /nfs/dbraw/zinc/03/14/71/944031471.db2.gz MASHWEUOSHPDKV-GGAORHGYSA-N 2 1 371.569 3.668 20 0 FHADMP FC(F)(F)c1cc(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414912107 944057523 /nfs/dbraw/zinc/05/75/23/944057523.db2.gz XVSNEKZPGJCIDZ-CYBMUJFWSA-N 2 1 351.210 3.700 20 0 FHADMP C[C@@H](c1cccs1)N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637928477 944138408 /nfs/dbraw/zinc/13/84/08/944138408.db2.gz XGWZACKZUNGRPQ-KRWDZBQOSA-N 2 1 371.550 3.651 20 0 FHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000500133553 944150882 /nfs/dbraw/zinc/15/08/82/944150882.db2.gz QEVIWZZOMODUMZ-RTBURBONSA-N 2 1 374.573 3.591 20 0 FHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286030 944164698 /nfs/dbraw/zinc/16/46/98/944164698.db2.gz QKYIARMJQGRTMG-NNWRFLSQSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286030 944164701 /nfs/dbraw/zinc/16/47/01/944164701.db2.gz QKYIARMJQGRTMG-NNWRFLSQSA-N 2 1 365.606 3.510 20 0 FHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286030 944164703 /nfs/dbraw/zinc/16/47/03/944164703.db2.gz QKYIARMJQGRTMG-NNWRFLSQSA-N 2 1 365.606 3.510 20 0 FHADMP C[C@H](C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)C[NH+](C)C ZINC000425920203 944173093 /nfs/dbraw/zinc/17/30/93/944173093.db2.gz JYFYUZAXWLSWDP-JFIYKMOQSA-N 2 1 352.494 3.622 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000414916559 944194068 /nfs/dbraw/zinc/19/40/68/944194068.db2.gz PYICMHKEKAXNCT-QFBILLFUSA-N 2 1 369.513 3.646 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000414918767 944232130 /nfs/dbraw/zinc/23/21/30/944232130.db2.gz VDRCEDCEVJIIAK-LJQANCHMSA-N 2 1 369.513 3.694 20 0 FHADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437983811 944268246 /nfs/dbraw/zinc/26/82/46/944268246.db2.gz GDQXMOUBOHLKIH-UHFFFAOYSA-N 2 1 367.522 3.882 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436400014 944277796 /nfs/dbraw/zinc/27/77/96/944277796.db2.gz HJSNWFASGBWDKC-IBGZPJMESA-N 2 1 367.468 3.554 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(Br)cc2c[nH+]cn21 ZINC001167755051 944387421 /nfs/dbraw/zinc/38/74/21/944387421.db2.gz ZJNFKZQFHFBIQT-CYBMUJFWSA-N 2 1 351.292 3.773 20 0 FHADMP Cc1cc(CO)cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]1 ZINC000664564667 944402580 /nfs/dbraw/zinc/40/25/80/944402580.db2.gz UIOOQEOABOZQOK-FQEVSTJZSA-N 2 1 351.494 3.597 20 0 FHADMP Cc1cc(CO)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]1 ZINC000664564667 944402584 /nfs/dbraw/zinc/40/25/84/944402584.db2.gz UIOOQEOABOZQOK-FQEVSTJZSA-N 2 1 351.494 3.597 20 0 FHADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301102 944412594 /nfs/dbraw/zinc/41/25/94/944412594.db2.gz LLSRIXJEMMBNNH-WMZOPIPTSA-N 2 1 358.555 3.704 20 0 FHADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]CCCCOc2ccccc2)cc1 ZINC000414887547 944439852 /nfs/dbraw/zinc/43/98/52/944439852.db2.gz QREVRCCPMHAVPZ-YADHBBJMSA-N 2 1 354.494 3.590 20 0 FHADMP Fc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)c1 ZINC001167978604 944443612 /nfs/dbraw/zinc/44/36/12/944443612.db2.gz PRRJBNLMPONWJG-FRIKZZABSA-N 2 1 372.528 3.912 20 0 FHADMP CC(C)[N@@H+](C)CCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000311288649 944512793 /nfs/dbraw/zinc/51/27/93/944512793.db2.gz KLYXXOUNIRHUCX-UHFFFAOYSA-N 2 1 361.530 3.804 20 0 FHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000311288649 944512794 /nfs/dbraw/zinc/51/27/94/944512794.db2.gz KLYXXOUNIRHUCX-UHFFFAOYSA-N 2 1 361.530 3.804 20 0 FHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000311288649 944512799 /nfs/dbraw/zinc/51/27/99/944512799.db2.gz KLYXXOUNIRHUCX-UHFFFAOYSA-N 2 1 361.530 3.804 20 0 FHADMP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000894742611 944542805 /nfs/dbraw/zinc/54/28/05/944542805.db2.gz UYURIYSYCWXHEA-HQSKLWIPSA-N 2 1 356.432 3.998 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000296593245 944567650 /nfs/dbraw/zinc/56/76/50/944567650.db2.gz NVCCEHOCIVVZST-QGZVFWFLSA-N 2 1 358.530 3.524 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000296593245 944567654 /nfs/dbraw/zinc/56/76/54/944567654.db2.gz NVCCEHOCIVVZST-QGZVFWFLSA-N 2 1 358.530 3.524 20 0 FHADMP C[NH+](Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000296593245 944567656 /nfs/dbraw/zinc/56/76/56/944567656.db2.gz NVCCEHOCIVVZST-QGZVFWFLSA-N 2 1 358.530 3.524 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000652075063 944571263 /nfs/dbraw/zinc/57/12/63/944571263.db2.gz YPXUCPIQGILNFT-MGPUTAFESA-N 2 1 362.477 3.608 20 0 FHADMP CC1CC[NH+](C[C@H]2CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201028 944572014 /nfs/dbraw/zinc/57/20/14/944572014.db2.gz PYXNWDOWVDYTKX-DHIUTWEWSA-N 2 1 355.570 3.705 20 0 FHADMP c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[NH+]2CCCC2)cc1 ZINC001167964561 944625037 /nfs/dbraw/zinc/62/50/37/944625037.db2.gz SOIJCLXNAUVWRC-WVUPVLJSSA-N 2 1 353.554 3.819 20 0 FHADMP CCC1(CC)CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438501501 944699383 /nfs/dbraw/zinc/69/93/83/944699383.db2.gz TXNQLCHKXBZTCL-LJQANCHMSA-N 2 1 371.569 3.668 20 0 FHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000506611080 944741729 /nfs/dbraw/zinc/74/17/29/944741729.db2.gz KJKJGABBXARUOU-UHFFFAOYSA-N 2 1 353.510 3.973 20 0 FHADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093593051 944795132 /nfs/dbraw/zinc/79/51/32/944795132.db2.gz FEPMZOFNAKVSEX-LJQANCHMSA-N 2 1 354.494 3.625 20 0 FHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438566924 944801019 /nfs/dbraw/zinc/80/10/19/944801019.db2.gz ACXOGVPTFNKXOV-QFIPXVFZSA-N 2 1 369.553 3.696 20 0 FHADMP CC[N@H+](CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000426066451 944802245 /nfs/dbraw/zinc/80/22/45/944802245.db2.gz JXVVBMSDFDSUBU-SJLPKXTDSA-N 2 1 363.512 3.893 20 0 FHADMP CC[N@@H+](CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000426066451 944802256 /nfs/dbraw/zinc/80/22/56/944802256.db2.gz JXVVBMSDFDSUBU-SJLPKXTDSA-N 2 1 363.512 3.893 20 0 FHADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC2CCOCC2)cc1 ZINC000517948694 944862656 /nfs/dbraw/zinc/86/26/56/944862656.db2.gz ZJXGDIHNUTXJHQ-UHFFFAOYSA-N 2 1 350.506 3.761 20 0 FHADMP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000093735034 944888650 /nfs/dbraw/zinc/88/86/50/944888650.db2.gz SEIFPDZQJPZMAW-UHFFFAOYSA-N 2 1 374.422 3.921 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884745 944904056 /nfs/dbraw/zinc/90/40/56/944904056.db2.gz MNICIHSKXDDHMB-LPHOPBHVSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884745 944904059 /nfs/dbraw/zinc/90/40/59/944904059.db2.gz MNICIHSKXDDHMB-LPHOPBHVSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000518884745 944904068 /nfs/dbraw/zinc/90/40/68/944904068.db2.gz MNICIHSKXDDHMB-LPHOPBHVSA-N 2 1 365.949 3.571 20 0 FHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000518028636 944948917 /nfs/dbraw/zinc/94/89/17/944948917.db2.gz RDIJENOBLAMLMW-SJBKTWHCSA-N 2 1 371.569 3.525 20 0 FHADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCC(F)(F)F ZINC000506342782 944981230 /nfs/dbraw/zinc/98/12/30/944981230.db2.gz OWAHOJVIIQHCTA-UHFFFAOYSA-N 2 1 374.447 3.941 20 0 FHADMP [NH3+]CC1(F)CC[NH+](Cc2cccc(C(F)(F)F)c2Br)CC1 ZINC001222548545 945007625 /nfs/dbraw/zinc/00/76/25/945007625.db2.gz QRJYIFFLYVTDMA-UHFFFAOYSA-N 2 1 369.200 3.731 20 0 FHADMP Clc1ccccc1C[NH+]1CCC(NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414950491 945012149 /nfs/dbraw/zinc/01/21/49/945012149.db2.gz FFACZLDPQUILLD-JOCHJYFZSA-N 2 1 369.940 3.781 20 0 FHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000590654292 945032213 /nfs/dbraw/zinc/03/22/13/945032213.db2.gz GEOJNEOYPICBLS-QYBDOPJKSA-N 2 1 370.562 3.609 20 0 FHADMP CC(C)(C)OC(=O)NCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961750 945047969 /nfs/dbraw/zinc/04/79/69/945047969.db2.gz PKAJAPIOJPKXGV-YQQQUEKLSA-N 2 1 365.562 3.676 20 0 FHADMP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000440276889 945370239 /nfs/dbraw/zinc/37/02/39/945370239.db2.gz ODUWOBPAKWEREP-UGKGYDQZSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276889 945370251 /nfs/dbraw/zinc/37/02/51/945370251.db2.gz ODUWOBPAKWEREP-UGKGYDQZSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000440276889 945370264 /nfs/dbraw/zinc/37/02/64/945370264.db2.gz ODUWOBPAKWEREP-UGKGYDQZSA-N 2 1 369.553 3.516 20 0 FHADMP C[C@@H]1CC([N@H+]2CCC[C@]3(CCCC(=O)N3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048165 945394927 /nfs/dbraw/zinc/39/49/27/945394927.db2.gz UXBHMMIOEPABDM-DNVFCKCGSA-N 2 1 369.553 3.563 20 0 FHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000660693636 945398137 /nfs/dbraw/zinc/39/81/37/945398137.db2.gz JXBBNCCMUWPSKP-UHFFFAOYSA-N 2 1 370.537 3.681 20 0 FHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986627 945416077 /nfs/dbraw/zinc/41/60/77/945416077.db2.gz HLLPLEDBWNLFOO-CBQGHPETSA-N 2 1 370.537 3.847 20 0 FHADMP CCOC(=O)CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167986627 945416082 /nfs/dbraw/zinc/41/60/82/945416082.db2.gz HLLPLEDBWNLFOO-CBQGHPETSA-N 2 1 370.537 3.847 20 0 FHADMP CCOC(=O)CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167986627 945416087 /nfs/dbraw/zinc/41/60/87/945416087.db2.gz HLLPLEDBWNLFOO-CBQGHPETSA-N 2 1 370.537 3.847 20 0 FHADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1 ZINC000519453969 945424478 /nfs/dbraw/zinc/42/44/78/945424478.db2.gz VRRHFEBCAYRFIK-HXUWFJFHSA-N 2 1 357.542 3.594 20 0 FHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059538 945514770 /nfs/dbraw/zinc/51/47/70/945514770.db2.gz XCXLVRJUPKTAIZ-HOTGVXAUSA-N 2 1 354.441 3.651 20 0 FHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000519687177 945660953 /nfs/dbraw/zinc/66/09/53/945660953.db2.gz LOAXXEQRXWLABD-UHFFFAOYSA-N 2 1 355.320 3.707 20 0 FHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000519687177 945660957 /nfs/dbraw/zinc/66/09/57/945660957.db2.gz LOAXXEQRXWLABD-UHFFFAOYSA-N 2 1 355.320 3.707 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC23CC3)cc1 ZINC000519541765 945696922 /nfs/dbraw/zinc/69/69/22/945696922.db2.gz LHXQQOOKOVGTHA-UWHLTILDSA-N 2 1 352.522 3.731 20 0 FHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC23CC3)cc1 ZINC000519541765 945696925 /nfs/dbraw/zinc/69/69/25/945696925.db2.gz LHXQQOOKOVGTHA-UWHLTILDSA-N 2 1 352.522 3.731 20 0 FHADMP COc1cc(F)c(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000651691764 945701783 /nfs/dbraw/zinc/70/17/83/945701783.db2.gz GWHUNPOPNSTETN-SFHVURJKSA-N 2 1 372.484 3.845 20 0 FHADMP COc1ccc(C[N@H+](CCCc2c[nH+]cn2C)[C@H](C)C2CC2)c(OC)c1 ZINC000519765723 945721959 /nfs/dbraw/zinc/72/19/59/945721959.db2.gz WFKYTFLHHUIPBV-MRXNPFEDSA-N 2 1 357.498 3.671 20 0 FHADMP COc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)C2CC2)c(OC)c1 ZINC000519765723 945721965 /nfs/dbraw/zinc/72/19/65/945721965.db2.gz WFKYTFLHHUIPBV-MRXNPFEDSA-N 2 1 357.498 3.671 20 0 FHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651706220 945728973 /nfs/dbraw/zinc/72/89/73/945728973.db2.gz XAGUYDHBHLUWJG-LJQANCHMSA-N 2 1 366.553 3.673 20 0 FHADMP Clc1cccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167974299 945958831 /nfs/dbraw/zinc/95/88/31/945958831.db2.gz VBHIELGPMNTZSS-MJLAPFRSSA-N 2 1 373.972 3.909 20 0 FHADMP Cc1ncc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974354 945960163 /nfs/dbraw/zinc/96/01/63/945960163.db2.gz XOVDKDJOMBNANU-AYHJJNSGSA-N 2 1 364.331 3.648 20 0 FHADMP Cc1ncc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974354 945960171 /nfs/dbraw/zinc/96/01/71/945960171.db2.gz XOVDKDJOMBNANU-AYHJJNSGSA-N 2 1 364.331 3.648 20 0 FHADMP Brc1cnccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281942278 945967996 /nfs/dbraw/zinc/96/79/96/945967996.db2.gz PLMFDLBWJSPBGG-ZDUSSCGKSA-N 2 1 361.287 3.761 20 0 FHADMP CC[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](CC)CC ZINC000522848905 945989279 /nfs/dbraw/zinc/98/92/79/945989279.db2.gz XLTXUEHVFJYOIL-MOPGFXCFSA-N 2 1 365.949 3.714 20 0 FHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)[C@@H](C)C1 ZINC000594523201 946076141 /nfs/dbraw/zinc/07/61/41/946076141.db2.gz WXZMSDRLZLTIDY-TXTZMMAHSA-N 2 1 352.563 3.699 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1cccc2ccccc21 ZINC000441200127 946300822 /nfs/dbraw/zinc/30/08/22/946300822.db2.gz OCADWBLYQNQVTK-PUHATCMVSA-N 2 1 352.522 3.956 20 0 FHADMP CCOc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752165 946310232 /nfs/dbraw/zinc/31/02/32/946310232.db2.gz UVEPHRFFUJBWCL-VQIMIIECSA-N 2 1 369.509 3.953 20 0 FHADMP Cc1cc(OCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C(C)C ZINC000441221387 946311391 /nfs/dbraw/zinc/31/13/91/946311391.db2.gz ACWWHADSMXPMMN-YUXAGFNASA-N 2 1 360.542 3.681 20 0 FHADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652149100 946386245 /nfs/dbraw/zinc/38/62/45/946386245.db2.gz RWJZECLOTSSLMN-RHSMWYFYSA-N 2 1 361.486 3.594 20 0 FHADMP Cc1ccc([C@H](C)NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000686818798 946421373 /nfs/dbraw/zinc/42/13/73/946421373.db2.gz SGAUQRGVJOJQKR-KRWDZBQOSA-N 2 1 371.550 3.617 20 0 FHADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OCC(F)(F)F ZINC000475129251 946434829 /nfs/dbraw/zinc/43/48/29/946434829.db2.gz PYNJKNVLACFSEX-UHFFFAOYSA-N 2 1 372.431 3.697 20 0 FHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC34CC[NH+](C)CC4)o2)cc1 ZINC000475124624 946445345 /nfs/dbraw/zinc/44/53/45/946445345.db2.gz JUCKMLZUBWARPI-UHFFFAOYSA-N 2 1 368.477 3.793 20 0 FHADMP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OC(F)F ZINC000475139375 946460420 /nfs/dbraw/zinc/46/04/20/946460420.db2.gz XOQQFJXKCXNBSU-UHFFFAOYSA-N 2 1 354.441 3.747 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1(C)C ZINC000441372020 946525511 /nfs/dbraw/zinc/52/55/11/946525511.db2.gz WEWRKQBOHUHTOM-UHFFFAOYSA-N 2 1 361.917 3.716 20 0 FHADMP c1csc(-c2noc(CCC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000441407336 946561290 /nfs/dbraw/zinc/56/12/90/946561290.db2.gz ZZVWUENYJAOFDH-RDJZCZTQSA-N 2 1 372.538 3.679 20 0 FHADMP c1csc(-c2noc(CCC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000441407336 946561298 /nfs/dbraw/zinc/56/12/98/946561298.db2.gz ZZVWUENYJAOFDH-RDJZCZTQSA-N 2 1 372.538 3.679 20 0 FHADMP c1csc(-c2noc(CCC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000441407336 946561304 /nfs/dbraw/zinc/56/13/04/946561304.db2.gz ZZVWUENYJAOFDH-RDJZCZTQSA-N 2 1 372.538 3.679 20 0 FHADMP c1csc(-c2noc(CCC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000441407336 946561312 /nfs/dbraw/zinc/56/13/12/946561312.db2.gz ZZVWUENYJAOFDH-RDJZCZTQSA-N 2 1 372.538 3.679 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1)C(C)C ZINC000262440443 946585272 /nfs/dbraw/zinc/58/52/72/946585272.db2.gz HMKZQUZQCFSNMY-UHFFFAOYSA-N 2 1 367.537 3.908 20 0 FHADMP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC001168057766 946590002 /nfs/dbraw/zinc/59/00/02/946590002.db2.gz NSHRARXDXCAOPM-NEYJZJCJSA-N 2 1 358.526 3.702 20 0 FHADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC001168057766 946590015 /nfs/dbraw/zinc/59/00/15/946590015.db2.gz NSHRARXDXCAOPM-NEYJZJCJSA-N 2 1 358.526 3.702 20 0 FHADMP CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057920 946594484 /nfs/dbraw/zinc/59/44/84/946594484.db2.gz ONICNEOAJOLMGU-YDLSIGKMSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057920 946594492 /nfs/dbraw/zinc/59/44/92/946594492.db2.gz ONICNEOAJOLMGU-YDLSIGKMSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@H]([NH+](C(C)C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057920 946594497 /nfs/dbraw/zinc/59/44/97/946594497.db2.gz ONICNEOAJOLMGU-YDLSIGKMSA-N 2 1 371.569 3.759 20 0 FHADMP CC(=O)N1CC[C@H]([NH+](C(C)C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057920 946594505 /nfs/dbraw/zinc/59/45/05/946594505.db2.gz ONICNEOAJOLMGU-YDLSIGKMSA-N 2 1 371.569 3.759 20 0 FHADMP CCc1ccc([C@@H](C)CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000523102029 946629642 /nfs/dbraw/zinc/62/96/42/946629642.db2.gz NTBUJTKRIOZPOR-KRWDZBQOSA-N 2 1 366.509 3.528 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000652309169 946692462 /nfs/dbraw/zinc/69/24/62/946692462.db2.gz HVXSQEKHZLGBKD-RYFAJOAYSA-N 2 1 360.542 3.633 20 0 FHADMP COC(=O)CC[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059781 946746236 /nfs/dbraw/zinc/74/62/36/946746236.db2.gz HDZOZIKXXODVNW-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)CC[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059781 946746240 /nfs/dbraw/zinc/74/62/40/946746240.db2.gz HDZOZIKXXODVNW-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COC(=O)CC[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059781 946746250 /nfs/dbraw/zinc/74/62/50/946746250.db2.gz HDZOZIKXXODVNW-KOUHRCEDSA-N 2 1 358.526 3.703 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000475268688 946783686 /nfs/dbraw/zinc/78/36/86/946783686.db2.gz KMROENWHFVMFNC-NQIIRXRSSA-N 2 1 368.521 3.834 20 0 FHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000475268692 946783866 /nfs/dbraw/zinc/78/38/66/946783866.db2.gz KMROENWHFVMFNC-WIYYLYMNSA-N 2 1 368.521 3.834 20 0 FHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000475268690 946784255 /nfs/dbraw/zinc/78/42/55/946784255.db2.gz KMROENWHFVMFNC-RXVVDRJESA-N 2 1 368.521 3.834 20 0 FHADMP Cc1ccccc1-n1nccc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475276747 946796004 /nfs/dbraw/zinc/79/60/04/946796004.db2.gz BQHVMISVIUOMOP-OAQYLSRUSA-N 2 1 360.505 3.792 20 0 FHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475276747 946796014 /nfs/dbraw/zinc/79/60/14/946796014.db2.gz BQHVMISVIUOMOP-OAQYLSRUSA-N 2 1 360.505 3.792 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284937 946823940 /nfs/dbraw/zinc/82/39/40/946823940.db2.gz KTMSXHYHCJRXAK-WBVHZDCISA-N 2 1 355.448 3.601 20 0 FHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475287418 946824559 /nfs/dbraw/zinc/82/45/59/946824559.db2.gz OJADNISDQUYALF-QUCCMNQESA-N 2 1 362.521 3.996 20 0 FHADMP Cc1cc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345618 946871960 /nfs/dbraw/zinc/87/19/60/946871960.db2.gz GUPZGUSDWGSSPU-JQVVWYNYSA-N 2 1 360.542 3.716 20 0 FHADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347798 946878495 /nfs/dbraw/zinc/87/84/95/946878495.db2.gz MHPXRUOJRNZUJW-LDDOYCOJSA-N 2 1 367.331 3.728 20 0 FHADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c(C)c1 ZINC001167994798 946889693 /nfs/dbraw/zinc/88/96/93/946889693.db2.gz PPYXMVNLTUEAKQ-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c(C)c1 ZINC001167994798 946889705 /nfs/dbraw/zinc/88/97/05/946889705.db2.gz PPYXMVNLTUEAKQ-CBQGHPETSA-N 2 1 353.554 3.831 20 0 FHADMP Clc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167994971 946892026 /nfs/dbraw/zinc/89/20/26/946892026.db2.gz SABDOPKBNBPMIG-CBQGHPETSA-N 2 1 373.972 3.863 20 0 FHADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350357 946895307 /nfs/dbraw/zinc/89/53/07/946895307.db2.gz UMPZDEBXEFFIRW-SQGPQFPESA-N 2 1 366.933 3.846 20 0 FHADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350448 946895431 /nfs/dbraw/zinc/89/54/31/946895431.db2.gz ZKZKKCSTUSRRJX-KCMWZYNZSA-N 2 1 367.331 3.728 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CC[NH3+] ZINC000652353720 946904294 /nfs/dbraw/zinc/90/42/94/946904294.db2.gz AQDAMXXMPVGQIR-LAUBAEHRSA-N 2 1 351.494 3.888 20 0 FHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)cc1F ZINC000652354142 946912924 /nfs/dbraw/zinc/91/29/24/946912924.db2.gz NWAOGOYLBVFREM-YJBOKZPZSA-N 2 1 360.477 3.566 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCOc2cccc3ccccc32)C1 ZINC000652362407 946930701 /nfs/dbraw/zinc/93/07/01/946930701.db2.gz GNBQKJOHCIGWBB-KJXAQDMKSA-N 2 1 368.521 3.970 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[NH+](C)CC23CCCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064007 947029995 /nfs/dbraw/zinc/02/99/95/947029995.db2.gz GUSPQQNDGWPTDD-VTYHHJSWSA-N 2 1 355.570 3.988 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)CC23CCCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064007 947030006 /nfs/dbraw/zinc/03/00/06/947030006.db2.gz GUSPQQNDGWPTDD-VTYHHJSWSA-N 2 1 355.570 3.988 20 0 FHADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)CC23CCCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064007 947030015 /nfs/dbraw/zinc/03/00/15/947030015.db2.gz GUSPQQNDGWPTDD-VTYHHJSWSA-N 2 1 355.570 3.988 20 0 FHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1Cl ZINC000655712959 947067233 /nfs/dbraw/zinc/06/72/33/947067233.db2.gz WOLMEGWRWMIPSF-QGZVFWFLSA-N 2 1 368.924 3.990 20 0 FHADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167949825 947084294 /nfs/dbraw/zinc/08/42/94/947084294.db2.gz LJJUHLNDGUKBAY-APWZRJJASA-N 2 1 371.529 3.528 20 0 FHADMP COC(=O)[C@]1(C)CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065467 947113422 /nfs/dbraw/zinc/11/34/22/947113422.db2.gz WOXWWGIFOVNMRP-JBYIUTFZSA-N 2 1 358.526 3.703 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+](C(C)C)C3)c2c1C ZINC000301128466 947193163 /nfs/dbraw/zinc/19/31/63/947193163.db2.gz RWNCNQRBQGCENU-MRXNPFEDSA-N 2 1 373.570 3.799 20 0 FHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+](C(C)C)C3)c2c1C ZINC000301128466 947193173 /nfs/dbraw/zinc/19/31/73/947193173.db2.gz RWNCNQRBQGCENU-MRXNPFEDSA-N 2 1 373.570 3.799 20 0 FHADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C)n1 ZINC000301268360 947260910 /nfs/dbraw/zinc/26/09/10/947260910.db2.gz ITFBOIARUMZYHM-INIZCTEOSA-N 2 1 350.388 3.799 20 0 FHADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C)[nH+]1 ZINC000301268360 947260930 /nfs/dbraw/zinc/26/09/30/947260930.db2.gz ITFBOIARUMZYHM-INIZCTEOSA-N 2 1 350.388 3.799 20 0 FHADMP Fc1cccc(F)c1-c1n[nH]cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247257772 947265006 /nfs/dbraw/zinc/26/50/06/947265006.db2.gz XMMIEZPNYSJYFL-IFXJQAMLSA-N 2 1 372.463 3.804 20 0 FHADMP Brc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000523447953 947276147 /nfs/dbraw/zinc/27/61/47/947276147.db2.gz DAIWXMPNQIIXCK-QGZVFWFLSA-N 2 1 367.331 3.778 20 0 FHADMP Brc1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000523447953 947276159 /nfs/dbraw/zinc/27/61/59/947276159.db2.gz DAIWXMPNQIIXCK-QGZVFWFLSA-N 2 1 367.331 3.778 20 0 FHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1O ZINC000248517293 947294715 /nfs/dbraw/zinc/29/47/15/947294715.db2.gz PIBNFBCPFYFDSC-KXBFYZLASA-N 2 1 374.912 3.853 20 0 FHADMP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000662108781 947299758 /nfs/dbraw/zinc/29/97/58/947299758.db2.gz QFTIBCLDPLSDLA-NRFANRHFSA-N 2 1 357.542 3.591 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612821 947330765 /nfs/dbraw/zinc/33/07/65/947330765.db2.gz SIRVJQSGVHFBRS-YYWHXJBOSA-N 2 1 360.542 3.799 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250479988 947340222 /nfs/dbraw/zinc/34/02/22/947340222.db2.gz BSYOXSGSKJPGGN-KDOFPFPSSA-N 2 1 351.332 3.626 20 0 FHADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662146868 947369694 /nfs/dbraw/zinc/36/96/94/947369694.db2.gz CCQFBHSWZMHWNC-QGZVFWFLSA-N 2 1 371.352 3.847 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccccc21 ZINC000523703109 947528883 /nfs/dbraw/zinc/52/88/83/947528883.db2.gz OGJGLUPXRMKWBN-LJQANCHMSA-N 2 1 368.525 3.720 20 0 FHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000523853911 947655650 /nfs/dbraw/zinc/65/56/50/947655650.db2.gz ZSGGFGURPPMNHG-LJQANCHMSA-N 2 1 369.484 3.738 20 0 FHADMP COc1cc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)ccc1OC(F)F ZINC000662248877 947671632 /nfs/dbraw/zinc/67/16/32/947671632.db2.gz DNEGAVRINVOBPR-UHFFFAOYSA-N 2 1 362.420 3.574 20 0 FHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(F)cc1 ZINC000278862192 947694490 /nfs/dbraw/zinc/69/44/90/947694490.db2.gz LICTWTZUWOXLOU-UHFFFAOYSA-N 2 1 370.472 3.567 20 0 FHADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292295 947715137 /nfs/dbraw/zinc/71/51/37/947715137.db2.gz DCOXGGSMDZBUHJ-ZDUSSCGKSA-N 2 1 372.738 3.709 20 0 FHADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292295 947715147 /nfs/dbraw/zinc/71/51/47/947715147.db2.gz DCOXGGSMDZBUHJ-ZDUSSCGKSA-N 2 1 372.738 3.709 20 0 FHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298455 947720732 /nfs/dbraw/zinc/72/07/32/947720732.db2.gz WEKFSKVIMJGHDA-RDJZCZTQSA-N 2 1 363.933 3.687 20 0 FHADMP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1C ZINC000662327495 947759717 /nfs/dbraw/zinc/75/97/17/947759717.db2.gz PLHXFANGCQODNT-UHFFFAOYSA-N 2 1 352.526 3.873 20 0 FHADMP Fc1ccc(F)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662328752 947759738 /nfs/dbraw/zinc/75/97/38/947759738.db2.gz UVRRFWXJPGWYHZ-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Fc1ccc(F)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662328752 947759747 /nfs/dbraw/zinc/75/97/47/947759747.db2.gz UVRRFWXJPGWYHZ-UHFFFAOYSA-N 2 1 360.452 3.535 20 0 FHADMP Fc1cccc(CCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327497 947760124 /nfs/dbraw/zinc/76/01/24/947760124.db2.gz POIWXJKWLOAWLQ-UHFFFAOYSA-N 2 1 370.516 3.828 20 0 FHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000662328942 947760246 /nfs/dbraw/zinc/76/02/46/947760246.db2.gz XCWTXEPVQXUXRM-UHFFFAOYSA-N 2 1 352.526 3.689 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344257 947806076 /nfs/dbraw/zinc/80/60/76/947806076.db2.gz QHPVOBNPKOMAKJ-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344257 947806080 /nfs/dbraw/zinc/80/60/80/947806080.db2.gz QHPVOBNPKOMAKJ-HXUWFJFHSA-N 2 1 352.526 3.701 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806739 /nfs/dbraw/zinc/80/67/39/947806739.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806746 /nfs/dbraw/zinc/80/67/46/947806746.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@@H](NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806760 /nfs/dbraw/zinc/80/67/60/947806760.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806773 /nfs/dbraw/zinc/80/67/73/947806773.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806782 /nfs/dbraw/zinc/80/67/82/947806782.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 2 1 367.581 3.895 20 0 FHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344756 947810865 /nfs/dbraw/zinc/81/08/65/947810865.db2.gz WHMQEENHLGEALX-SFHVURJKSA-N 2 1 356.489 3.531 20 0 FHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344756 947810874 /nfs/dbraw/zinc/81/08/74/947810874.db2.gz WHMQEENHLGEALX-SFHVURJKSA-N 2 1 356.489 3.531 20 0 FHADMP Clc1ccccc1Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663346985 947814148 /nfs/dbraw/zinc/81/41/48/947814148.db2.gz DSRFEGMVROETRL-SFHVURJKSA-N 2 1 372.944 3.796 20 0 FHADMP Clc1ccccc1Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663346985 947814154 /nfs/dbraw/zinc/81/41/54/947814154.db2.gz DSRFEGMVROETRL-SFHVURJKSA-N 2 1 372.944 3.796 20 0 FHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347587 947820646 /nfs/dbraw/zinc/82/06/46/947820646.db2.gz PLQGOQNXFZPGOB-MRXNPFEDSA-N 2 1 366.933 3.959 20 0 FHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347587 947820652 /nfs/dbraw/zinc/82/06/52/947820652.db2.gz PLQGOQNXFZPGOB-MRXNPFEDSA-N 2 1 366.933 3.959 20 0 FHADMP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662503454 947873319 /nfs/dbraw/zinc/87/33/19/947873319.db2.gz UISGBFOBUSEULT-XLIONFOSSA-N 2 1 363.505 3.587 20 0 FHADMP Cn1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccc(Cl)cc21 ZINC000511972157 947879056 /nfs/dbraw/zinc/87/90/56/947879056.db2.gz MIZTXVYSVUBFOO-UHFFFAOYSA-N 2 1 362.930 3.682 20 0 FHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000246965268 947950443 /nfs/dbraw/zinc/95/04/43/947950443.db2.gz JCHHMQVPDSAIPX-DAYGRLMNSA-N 2 1 352.519 3.842 20 0 FHADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467979 948054779 /nfs/dbraw/zinc/05/47/79/948054779.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467979 948054786 /nfs/dbraw/zinc/05/47/86/948054786.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H](NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467979 948054795 /nfs/dbraw/zinc/05/47/95/948054795.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 2 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467979 948054804 /nfs/dbraw/zinc/05/48/04/948054804.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467979 948054812 /nfs/dbraw/zinc/05/48/12/948054812.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663467979 948054822 /nfs/dbraw/zinc/05/48/22/948054822.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 3 1 355.570 3.609 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663467979 948054829 /nfs/dbraw/zinc/05/48/29/948054829.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 3 1 355.570 3.609 20 0 FHADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467340 948055466 /nfs/dbraw/zinc/05/54/66/948055466.db2.gz DYMNARWPHQKAQB-JXFKEZNVSA-N 2 1 357.498 3.942 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001167822826 948093649 /nfs/dbraw/zinc/09/36/49/948093649.db2.gz ADUODCSIDINMEK-XRXFAXGQSA-N 2 1 354.579 3.791 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823895 948102909 /nfs/dbraw/zinc/10/29/09/948102909.db2.gz FTNMITVREVSBLO-REWPJTCUSA-N 2 1 371.569 3.934 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000164537963 948142049 /nfs/dbraw/zinc/14/20/49/948142049.db2.gz QEYJJMYEWYEFLD-YJBOKZPZSA-N 2 1 370.497 3.841 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827818 948159706 /nfs/dbraw/zinc/15/97/06/948159706.db2.gz XUFVDZSUQNQSFT-QZTJIDSGSA-N 2 1 355.567 3.686 20 0 FHADMP CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCC[NH+](CC)CC ZINC001167827836 948160043 /nfs/dbraw/zinc/16/00/43/948160043.db2.gz YEATZWJBXPIEHX-SFHVURJKSA-N 2 1 364.530 3.571 20 0 FHADMP CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)CCC[NH+](CC)CC ZINC001167827836 948160046 /nfs/dbraw/zinc/16/00/46/948160046.db2.gz YEATZWJBXPIEHX-SFHVURJKSA-N 2 1 364.530 3.571 20 0 FHADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000643528011 948180357 /nfs/dbraw/zinc/18/03/57/948180357.db2.gz XIPXWDSVIXPTIJ-SDBXPKJASA-N 2 1 362.109 3.526 20 0 FHADMP Cc1cccnc1O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002123 948216318 /nfs/dbraw/zinc/21/63/18/948216318.db2.gz MYPACZBPKRHGOK-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccnc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002123 948216323 /nfs/dbraw/zinc/21/63/23/948216323.db2.gz MYPACZBPKRHGOK-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP Cc1cccnc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002123 948216331 /nfs/dbraw/zinc/21/63/31/948216331.db2.gz MYPACZBPKRHGOK-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)CCCO1 ZINC000432361410 948217593 /nfs/dbraw/zinc/21/75/93/948217593.db2.gz XXLLKPORBAYJBF-FQEVSTJZSA-N 2 1 368.521 3.856 20 0 FHADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168002394 948233851 /nfs/dbraw/zinc/23/38/51/948233851.db2.gz QUDFOFVQURDXQS-JGUMPVPUSA-N 2 1 355.526 3.639 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001167834772 948269566 /nfs/dbraw/zinc/26/95/66/948269566.db2.gz MURMWGCPMHQOQD-QZTJIDSGSA-N 2 1 363.521 3.530 20 0 FHADMP c1ccc(C[N@@H+]2Cc3ccc(NCC[NH+]4CCSCC4)cc3C2)cc1 ZINC001167839310 948314423 /nfs/dbraw/zinc/31/44/23/948314423.db2.gz KZSFDYWEFXPNDF-UHFFFAOYSA-N 2 1 353.535 3.663 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1 ZINC000183142377 948349005 /nfs/dbraw/zinc/34/90/05/948349005.db2.gz COMUJWXHYKGCHB-IRXDYDNUSA-N 2 1 354.498 3.622 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)cc1 ZINC000183142429 948349156 /nfs/dbraw/zinc/34/91/56/948349156.db2.gz COMUJWXHYKGCHB-DLBZAZTESA-N 2 1 354.498 3.622 20 0 FHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410071 948356080 /nfs/dbraw/zinc/35/60/80/948356080.db2.gz LNKXVLGROSDIEK-PBHICJAKSA-N 2 1 371.447 3.568 20 0 FHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCO1 ZINC000432410071 948356088 /nfs/dbraw/zinc/35/60/88/948356088.db2.gz LNKXVLGROSDIEK-PBHICJAKSA-N 2 1 371.447 3.568 20 0 FHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000427601737 948359845 /nfs/dbraw/zinc/35/98/45/948359845.db2.gz BNSWHGZRBCAMQU-GOSISDBHSA-N 2 1 353.432 3.942 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001167841603 948363649 /nfs/dbraw/zinc/36/36/49/948363649.db2.gz MWZHOUNCCMGYKJ-ROUUACIJSA-N 2 1 355.567 3.828 20 0 FHADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414217 948367335 /nfs/dbraw/zinc/36/73/35/948367335.db2.gz JWBSKYANUOGHCC-YJBOKZPZSA-N 2 1 369.347 3.991 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167842485 948386101 /nfs/dbraw/zinc/38/61/01/948386101.db2.gz XYZUULAUCVITCR-SQNIBIBYSA-N 2 1 355.567 3.827 20 0 FHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424072 948386868 /nfs/dbraw/zinc/38/68/68/948386868.db2.gz MTYHNMHGPVAQRX-WMLDXEAASA-N 2 1 354.947 3.967 20 0 FHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000432424072 948386875 /nfs/dbraw/zinc/38/68/75/948386875.db2.gz MTYHNMHGPVAQRX-WMLDXEAASA-N 2 1 354.947 3.967 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842891 948396854 /nfs/dbraw/zinc/39/68/54/948396854.db2.gz ZOWWKFLRYFFTIZ-JTSKRJEESA-N 2 1 358.526 3.838 20 0 FHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512099043 948416322 /nfs/dbraw/zinc/41/63/22/948416322.db2.gz LUYIZTJBXUQETP-LBPRGKRZSA-N 2 1 368.344 3.688 20 0 FHADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374848 948425153 /nfs/dbraw/zinc/42/51/53/948425153.db2.gz YRFSCSKDHLRIMY-HKUYNNGSSA-N 2 1 352.526 3.932 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000189858611 948603941 /nfs/dbraw/zinc/60/39/41/948603941.db2.gz CSXYTICLKOQDLD-GFCCVEGCSA-N 2 1 359.367 3.748 20 0 FHADMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663693892 948650062 /nfs/dbraw/zinc/65/00/62/948650062.db2.gz BMFBESWEDWJTKF-HKUYNNGSSA-N 2 1 369.484 3.655 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@H]12 ZINC000536475379 948713393 /nfs/dbraw/zinc/71/33/93/948713393.db2.gz FRCNFIHYPSIYRA-VXCLMFOKSA-N 2 1 374.573 3.766 20 0 FHADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@H]12 ZINC000536475379 948713396 /nfs/dbraw/zinc/71/33/96/948713396.db2.gz FRCNFIHYPSIYRA-VXCLMFOKSA-N 2 1 374.573 3.766 20 0 FHADMP COc1ccccc1/C=C\C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187387 948738191 /nfs/dbraw/zinc/73/81/91/948738191.db2.gz QEGILXJCQOMDEQ-CIVUBALASA-N 2 1 358.526 3.530 20 0 FHADMP Cc1ccc2c(C)cc(NC[C@@H]3CN(Cc4ccncc4)CCO3)[nH+]c2c1 ZINC000624705887 522871218 /nfs/dbraw/zinc/87/12/18/522871218.db2.gz IHUJQKSZTQMIAM-LJQANCHMSA-N 2 1 362.477 3.560 20 0 FHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000188584591 567972264 /nfs/dbraw/zinc/97/22/64/567972264.db2.gz JODIPQLDIHULCH-IBGZPJMESA-N 2 1 374.573 3.544 20 0 FHADMP CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]1 ZINC000602572953 567996312 /nfs/dbraw/zinc/99/63/12/567996312.db2.gz VMNBVWUIJSKZBT-CQSZACIVSA-N 2 1 352.438 3.536 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC000563130667 568262333 /nfs/dbraw/zinc/26/23/33/568262333.db2.gz RBPMRCFZWQDOOV-GOSISDBHSA-N 2 1 374.912 3.969 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC000563130667 568262334 /nfs/dbraw/zinc/26/23/34/568262334.db2.gz RBPMRCFZWQDOOV-GOSISDBHSA-N 2 1 374.912 3.969 20 0 FHADMP CC1(C)C[NH+](Cc2cccc(C[N@H+]3CCCOC(C)(C)C3)c2)CCCO1 ZINC000605000029 568513253 /nfs/dbraw/zinc/51/32/53/568513253.db2.gz HUCADEZDIOKGKO-UHFFFAOYSA-N 2 1 360.542 3.688 20 0 FHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001164417231 718892201 /nfs/dbraw/zinc/89/22/01/718892201.db2.gz IJTXLZSKKPUAQX-SFHVURJKSA-N 2 1 362.949 3.689 20 0 FHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164620026 719124881 /nfs/dbraw/zinc/12/48/81/719124881.db2.gz GMVJDAWMUOXJSO-GUDVDZBRSA-N 2 1 360.521 3.532 20 0 FHADMP Cc1cc(C)[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792090 721490065 /nfs/dbraw/zinc/49/00/65/721490065.db2.gz GHXJVJMDEXVXNC-UHFFFAOYSA-N 2 1 350.510 3.974 20 0 FHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@@H]21 ZINC001165026580 721802131 /nfs/dbraw/zinc/80/21/31/721802131.db2.gz RHLZPJDUZKBEGD-LKUPVBHCSA-N 2 1 361.493 3.695 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000472274182 936339797 /nfs/dbraw/zinc/33/97/97/936339797.db2.gz HJRKSHMNYOCUBN-IBGZPJMESA-N 2 1 357.498 3.583 20 0 FHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000472274182 936339802 /nfs/dbraw/zinc/33/98/02/936339802.db2.gz HJRKSHMNYOCUBN-IBGZPJMESA-N 2 1 357.498 3.583 20 0 FHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000583075857 937097828 /nfs/dbraw/zinc/09/78/28/937097828.db2.gz DYHRBLDNZBUDPQ-RBUKOAKNSA-N 2 1 363.509 3.829 20 0 FHADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000579776677 927387479 /nfs/dbraw/zinc/38/74/79/927387479.db2.gz ZJCVRQPSJJUHIT-FQEVSTJZSA-N 2 1 352.526 3.653 20 0 FHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546292 927425991 /nfs/dbraw/zinc/42/59/91/927425991.db2.gz LYRKJXQDZQTRGA-HOCLYGCPSA-N 2 1 365.315 3.927 20 0 FHADMP CC[NH+](CC)CCC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000683141583 927440993 /nfs/dbraw/zinc/44/09/93/927440993.db2.gz WQLXOPILVDOOJV-IBGZPJMESA-N 2 1 363.933 3.820 20 0 FHADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000683141584 927441077 /nfs/dbraw/zinc/44/10/77/927441077.db2.gz WQLXOPILVDOOJV-LJQANCHMSA-N 2 1 363.933 3.820 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000654887220 927498065 /nfs/dbraw/zinc/49/80/65/927498065.db2.gz AUSOSIPJUKIVNQ-UHFFFAOYSA-N 2 1 369.553 3.507 20 0 FHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083451 927937222 /nfs/dbraw/zinc/93/72/22/927937222.db2.gz UKZBLGIBRWEUTC-SFTDATJTSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510083451 927937241 /nfs/dbraw/zinc/93/72/41/927937241.db2.gz UKZBLGIBRWEUTC-SFTDATJTSA-N 2 1 371.569 3.668 20 0 FHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510083451 927937274 /nfs/dbraw/zinc/93/72/74/927937274.db2.gz UKZBLGIBRWEUTC-SFTDATJTSA-N 2 1 371.569 3.668 20 0 FHADMP CC[NH+]1CCC(C[N@H+]2Cc3ccc(Br)cc3C[C@H]2C)CC1 ZINC001208603400 928226435 /nfs/dbraw/zinc/22/64/35/928226435.db2.gz CRTBHDZURDVWOR-CQSZACIVSA-N 2 1 351.332 3.928 20 0 FHADMP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119614961 928689981 /nfs/dbraw/zinc/68/99/81/928689981.db2.gz NXSMNHFMENIGTC-ACIOBRDBSA-N 2 1 355.570 3.751 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119614961 928689989 /nfs/dbraw/zinc/68/99/89/928689989.db2.gz NXSMNHFMENIGTC-ACIOBRDBSA-N 3 1 355.570 3.751 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119614961 928689997 /nfs/dbraw/zinc/68/99/97/928689997.db2.gz NXSMNHFMENIGTC-ACIOBRDBSA-N 3 1 355.570 3.751 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1NC(C)=O ZINC000162751185 937273523 /nfs/dbraw/zinc/27/35/23/937273523.db2.gz ONHIDBDWNXFBJD-QGZVFWFLSA-N 2 1 369.509 3.826 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1NC(C)=O ZINC000162751185 937273527 /nfs/dbraw/zinc/27/35/27/937273527.db2.gz ONHIDBDWNXFBJD-QGZVFWFLSA-N 2 1 369.509 3.826 20 0 FHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447273 928905306 /nfs/dbraw/zinc/90/53/06/928905306.db2.gz BENXUQJRKZGRLW-IEBWSBKVSA-N 2 1 353.510 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447273 928905320 /nfs/dbraw/zinc/90/53/20/928905320.db2.gz BENXUQJRKZGRLW-IEBWSBKVSA-N 2 1 353.510 3.973 20 0 FHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447273 928905331 /nfs/dbraw/zinc/90/53/31/928905331.db2.gz BENXUQJRKZGRLW-IEBWSBKVSA-N 2 1 353.510 3.973 20 0 FHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208997786 929045468 /nfs/dbraw/zinc/04/54/68/929045468.db2.gz CIZVWBHCHCFICQ-MEMLXQNLSA-N 2 1 372.553 3.952 20 0 FHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208997786 929045481 /nfs/dbraw/zinc/04/54/81/929045481.db2.gz CIZVWBHCHCFICQ-MEMLXQNLSA-N 2 1 372.553 3.952 20 0 FHADMP Fc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000657750113 937339430 /nfs/dbraw/zinc/33/94/30/937339430.db2.gz AGQPLBRQVRPTQZ-GOSISDBHSA-N 2 1 360.498 3.897 20 0 FHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000579976180 929738796 /nfs/dbraw/zinc/73/87/96/929738796.db2.gz MTKCGHCRNPSVQR-VMXMFDLUSA-N 2 1 369.578 3.818 20 0 FHADMP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000275661655 929766098 /nfs/dbraw/zinc/76/60/98/929766098.db2.gz OCPWEJYOVZHBIH-IEBWSBKVSA-N 2 1 372.557 3.565 20 0 FHADMP c1csc([C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000092594963 937361098 /nfs/dbraw/zinc/36/10/98/937361098.db2.gz AFYVLBOAYTWPON-FQEVSTJZSA-N 2 1 372.534 3.796 20 0 FHADMP c1csc([C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)c1 ZINC000092594963 937361102 /nfs/dbraw/zinc/36/11/02/937361102.db2.gz AFYVLBOAYTWPON-FQEVSTJZSA-N 2 1 372.534 3.796 20 0 FHADMP FC(F)CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000683690686 929806103 /nfs/dbraw/zinc/80/61/03/929806103.db2.gz NXLRAFRFXFYERL-OWZKRDHZSA-N 2 1 363.496 3.501 20 0 FHADMP CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000162916407 937365338 /nfs/dbraw/zinc/36/53/38/937365338.db2.gz BYQAYXSMQKIANN-RSIUFYSGSA-N 2 1 359.539 3.911 20 0 FHADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583354001 937376434 /nfs/dbraw/zinc/37/64/34/937376434.db2.gz RZKXFJMHYOOBNJ-PKOBYXMFSA-N 2 1 374.573 3.730 20 0 FHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583354001 937376436 /nfs/dbraw/zinc/37/64/36/937376436.db2.gz RZKXFJMHYOOBNJ-PKOBYXMFSA-N 2 1 374.573 3.730 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4cnccc4c3)CC2)oc1C ZINC000683768870 930105669 /nfs/dbraw/zinc/10/56/69/930105669.db2.gz OCEXYNHBSVTDKE-UHFFFAOYSA-N 2 1 364.493 3.841 20 0 FHADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371351 930173781 /nfs/dbraw/zinc/17/37/81/930173781.db2.gz JHFVXZFMPVJNSC-YLJYHZDGSA-N 2 1 351.485 3.516 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc(-c2ccccc2)cs1 ZINC000580129301 930284503 /nfs/dbraw/zinc/28/45/03/930284503.db2.gz UPPGOOOMBSAECP-LJQANCHMSA-N 2 1 372.582 3.658 20 0 FHADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000126652230 937401634 /nfs/dbraw/zinc/40/16/34/937401634.db2.gz AZLVKNLQWZMKIK-INIZCTEOSA-N 2 1 372.582 3.612 20 0 FHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000580324538 930501238 /nfs/dbraw/zinc/50/12/38/930501238.db2.gz YKORQSNQGGISQT-FQEVSTJZSA-N 2 1 365.521 3.520 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4ccccc4[nH]3)CC2)oc1C ZINC000683926869 930632434 /nfs/dbraw/zinc/63/24/34/930632434.db2.gz ICHHUHBMELHNKD-UHFFFAOYSA-N 2 1 352.482 3.775 20 0 FHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000580409242 930647793 /nfs/dbraw/zinc/64/77/93/930647793.db2.gz JGQYLAHDJZYRFB-MOPGFXCFSA-N 2 1 357.523 3.528 20 0 FHADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000564601855 930822374 /nfs/dbraw/zinc/82/23/74/930822374.db2.gz YOOFDTQALAHIKH-YTFSRNRJSA-N 3 1 355.570 3.609 20 0 FHADMP COc1ccc2c(c1)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000656274442 931028961 /nfs/dbraw/zinc/02/89/61/931028961.db2.gz AXQLGALNPGSURG-UHFFFAOYSA-N 2 1 365.521 3.741 20 0 FHADMP COc1ccc2c(c1)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000656274442 931028968 /nfs/dbraw/zinc/02/89/68/931028968.db2.gz AXQLGALNPGSURG-UHFFFAOYSA-N 2 1 365.521 3.741 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000119292278 931056858 /nfs/dbraw/zinc/05/68/58/931056858.db2.gz IIZZGXVWNPNILE-XLIONFOSSA-N 2 1 360.542 3.627 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000119292278 931056864 /nfs/dbraw/zinc/05/68/64/931056864.db2.gz IIZZGXVWNPNILE-XLIONFOSSA-N 2 1 360.542 3.627 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000398209693 931102567 /nfs/dbraw/zinc/10/25/67/931102567.db2.gz RWIVFXORIPORQY-DYESRHJHSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398209693 931102573 /nfs/dbraw/zinc/10/25/73/931102573.db2.gz RWIVFXORIPORQY-DYESRHJHSA-N 2 1 354.494 3.704 20 0 FHADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398209693 931102578 /nfs/dbraw/zinc/10/25/78/931102578.db2.gz RWIVFXORIPORQY-DYESRHJHSA-N 2 1 354.494 3.704 20 0 FHADMP C[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000127300906 931308836 /nfs/dbraw/zinc/30/88/36/931308836.db2.gz OATDMCKSPYKXBN-INIZCTEOSA-N 2 1 370.468 3.912 20 0 FHADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC000684111638 931348732 /nfs/dbraw/zinc/34/87/32/931348732.db2.gz PRKGFBSZFPFBDB-NRFANRHFSA-N 2 1 360.505 3.874 20 0 FHADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC000684111638 931348736 /nfs/dbraw/zinc/34/87/36/931348736.db2.gz PRKGFBSZFPFBDB-NRFANRHFSA-N 2 1 360.505 3.874 20 0 FHADMP CO[C@@H]1CCC[NH+](CC(C[N@@H+]2CCC[C@@H](OC)CC2)c2ccccc2)CC1 ZINC000639582237 931567185 /nfs/dbraw/zinc/56/71/85/931567185.db2.gz FOYGYUDYXIWKPS-DHIUTWEWSA-N 2 1 374.569 3.772 20 0 FHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC2CCOCC2)cc1 ZINC000656405108 931593243 /nfs/dbraw/zinc/59/32/43/931593243.db2.gz HVLYXXDRNISQBD-GPJHCHHRSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC2CCOCC2)cc1 ZINC000656405108 931593245 /nfs/dbraw/zinc/59/32/45/931593245.db2.gz HVLYXXDRNISQBD-GPJHCHHRSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC2CCOCC2)cc1 ZINC000656405108 931593251 /nfs/dbraw/zinc/59/32/51/931593251.db2.gz HVLYXXDRNISQBD-GPJHCHHRSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405644 931602338 /nfs/dbraw/zinc/60/23/38/931602338.db2.gz JZLCAIPOVXODAE-LILXYRQWSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405644 931602342 /nfs/dbraw/zinc/60/23/42/931602342.db2.gz JZLCAIPOVXODAE-LILXYRQWSA-N 2 1 354.538 3.646 20 0 FHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405644 931602346 /nfs/dbraw/zinc/60/23/46/931602346.db2.gz JZLCAIPOVXODAE-LILXYRQWSA-N 2 1 354.538 3.646 20 0 FHADMP c1ncc(CC[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407192 931603168 /nfs/dbraw/zinc/60/31/68/931603168.db2.gz RASLDCXDNNYIKD-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407192 931603170 /nfs/dbraw/zinc/60/31/70/931603170.db2.gz RASLDCXDNNYIKD-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP c1ncc(CC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407192 931603176 /nfs/dbraw/zinc/60/31/76/931603176.db2.gz RASLDCXDNNYIKD-KCLUMXDGSA-N 2 1 353.535 3.528 20 0 FHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559199 931844478 /nfs/dbraw/zinc/84/44/78/931844478.db2.gz ZYZFBNVRRAVGRC-IEBWSBKVSA-N 2 1 351.494 3.741 20 0 FHADMP FC(F)(F)c1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000656500373 931911246 /nfs/dbraw/zinc/91/12/46/931911246.db2.gz ABGHYGXSQYLJCY-INIZCTEOSA-N 2 1 353.432 3.501 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574418 931919011 /nfs/dbraw/zinc/91/90/11/931919011.db2.gz SMYLCXQPKWXCLS-XUXIUFHCSA-N 2 1 372.340 3.618 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000430574418 931919012 /nfs/dbraw/zinc/91/90/12/931919012.db2.gz SMYLCXQPKWXCLS-XUXIUFHCSA-N 2 1 372.340 3.618 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)CC1 ZINC000581378621 931923652 /nfs/dbraw/zinc/92/36/52/931923652.db2.gz OVOLUMZUGCFAOS-UHFFFAOYSA-N 2 1 363.933 3.783 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000581385698 931929372 /nfs/dbraw/zinc/92/93/72/931929372.db2.gz LGHGLDXOGFOXPA-SOUVJXGZSA-N 2 1 350.528 3.838 20 0 FHADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000581385698 931929386 /nfs/dbraw/zinc/92/93/86/931929386.db2.gz LGHGLDXOGFOXPA-SOUVJXGZSA-N 2 1 350.528 3.838 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576142 931934375 /nfs/dbraw/zinc/93/43/75/931934375.db2.gz RQZVGGMOPUNIAJ-HFSMHLIXSA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576142 931934389 /nfs/dbraw/zinc/93/43/89/931934389.db2.gz RQZVGGMOPUNIAJ-HFSMHLIXSA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576140 931934663 /nfs/dbraw/zinc/93/46/63/931934663.db2.gz RQZVGGMOPUNIAJ-FBBABVLZSA-N 2 1 371.569 3.707 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576140 931934665 /nfs/dbraw/zinc/93/46/65/931934665.db2.gz RQZVGGMOPUNIAJ-FBBABVLZSA-N 2 1 371.569 3.707 20 0 FHADMP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000581397309 931955169 /nfs/dbraw/zinc/95/51/69/931955169.db2.gz OSIIGMGLOWCQLK-ZDUSSCGKSA-N 2 1 357.361 3.991 20 0 FHADMP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000581397309 931955175 /nfs/dbraw/zinc/95/51/75/931955175.db2.gz OSIIGMGLOWCQLK-ZDUSSCGKSA-N 2 1 357.361 3.991 20 0 FHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cn(C)nc1C(F)F ZINC000276275571 932140298 /nfs/dbraw/zinc/14/02/98/932140298.db2.gz SUBKQJHBXAZVOE-GJZGRUSLSA-N 2 1 362.468 3.604 20 0 FHADMP Cc1cccn2cc(COc3ccc(C[NH2+]CC4([NH3+])CCCC4)cc3)nc12 ZINC000656789482 932426748 /nfs/dbraw/zinc/42/67/48/932426748.db2.gz OOOBDHNCJKGLDD-UHFFFAOYSA-N 2 1 364.493 3.583 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183951 932731928 /nfs/dbraw/zinc/73/19/28/932731928.db2.gz UWKDQIWZKAPLAJ-UEVCKROQSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183951 932731930 /nfs/dbraw/zinc/73/19/30/932731930.db2.gz UWKDQIWZKAPLAJ-UEVCKROQSA-N 2 1 364.533 3.938 20 0 FHADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000430673165 932857015 /nfs/dbraw/zinc/85/70/15/932857015.db2.gz YMZXMTPLIWHOGN-SFHVURJKSA-N 2 1 365.606 3.713 20 0 FHADMP Clc1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647192267 932873081 /nfs/dbraw/zinc/87/30/81/932873081.db2.gz WYEVQARWZQEXOD-IBGZPJMESA-N 2 1 371.912 3.901 20 0 FHADMP Clc1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647192267 932873083 /nfs/dbraw/zinc/87/30/83/932873083.db2.gz WYEVQARWZQEXOD-IBGZPJMESA-N 2 1 371.912 3.901 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000647200087 932998836 /nfs/dbraw/zinc/99/88/36/932998836.db2.gz HZGZBAGLRAVYDV-UYAOXDASSA-N 2 1 352.526 3.923 20 0 FHADMP Cc1ccccc1-n1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000647200087 932998842 /nfs/dbraw/zinc/99/88/42/932998842.db2.gz HZGZBAGLRAVYDV-UYAOXDASSA-N 2 1 352.526 3.923 20 0 FHADMP O=C(Nc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1Cl ZINC000581943307 933091090 /nfs/dbraw/zinc/09/10/90/933091090.db2.gz AGPSTUHCKASACY-DLBZAZTESA-N 2 1 369.896 3.634 20 0 FHADMP O=C(Nc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1Cl ZINC000581943307 933091096 /nfs/dbraw/zinc/09/10/96/933091096.db2.gz AGPSTUHCKASACY-DLBZAZTESA-N 2 1 369.896 3.634 20 0 FHADMP CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000156521396 933095362 /nfs/dbraw/zinc/09/53/62/933095362.db2.gz JATKQPMRTODJJO-MRXNPFEDSA-N 2 1 362.477 3.781 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845735 933121150 /nfs/dbraw/zinc/12/11/50/933121150.db2.gz LQFGKAVPVUAXSP-RTBURBONSA-N 2 1 366.465 3.502 20 0 FHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000471845735 933121153 /nfs/dbraw/zinc/12/11/53/933121153.db2.gz LQFGKAVPVUAXSP-RTBURBONSA-N 2 1 366.465 3.502 20 0 FHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000510554179 933219915 /nfs/dbraw/zinc/21/99/15/933219915.db2.gz XLEUQTKIPNUTQO-UIFIKXQLSA-N 2 1 357.542 3.509 20 0 FHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510723248 933523803 /nfs/dbraw/zinc/52/38/03/933523803.db2.gz QQNYQDMESKQOPL-MRXNPFEDSA-N 2 1 354.485 3.765 20 0 FHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000430968914 933527593 /nfs/dbraw/zinc/52/75/93/933527593.db2.gz XVTYABAMBKDNDO-MRXNPFEDSA-N 2 1 366.896 3.973 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c1C ZINC000091708274 933577747 /nfs/dbraw/zinc/57/77/47/933577747.db2.gz UFUMQSWBRBZTHB-UHFFFAOYSA-N 2 1 371.500 3.943 20 0 FHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1C ZINC000091708274 933577752 /nfs/dbraw/zinc/57/77/52/933577752.db2.gz UFUMQSWBRBZTHB-UHFFFAOYSA-N 2 1 371.500 3.943 20 0 FHADMP Cc1noc([C@H]2CCC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000091832948 933898547 /nfs/dbraw/zinc/89/85/47/933898547.db2.gz NPHRMJLOKNLISK-IBGZPJMESA-N 2 1 356.514 3.716 20 0 FHADMP Cc1noc([C@H]2CCC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000091832948 933898555 /nfs/dbraw/zinc/89/85/55/933898555.db2.gz NPHRMJLOKNLISK-IBGZPJMESA-N 2 1 356.514 3.716 20 0 FHADMP Cc1noc([C@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000091832948 933898575 /nfs/dbraw/zinc/89/85/75/933898575.db2.gz NPHRMJLOKNLISK-IBGZPJMESA-N 2 1 356.514 3.716 20 0 FHADMP Cc1noc([C@H]2CCC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)n1 ZINC000091832948 933898581 /nfs/dbraw/zinc/89/85/81/933898581.db2.gz NPHRMJLOKNLISK-IBGZPJMESA-N 2 1 356.514 3.716 20 0 FHADMP CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000276919380 933979487 /nfs/dbraw/zinc/97/94/87/933979487.db2.gz MDAREXMRDBIPAV-HXUWFJFHSA-N 2 1 371.550 3.767 20 0 FHADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1-n1cncn1 ZINC000092587640 934099964 /nfs/dbraw/zinc/09/99/64/934099964.db2.gz WRQOCWHVHCBQLZ-NRFANRHFSA-N 2 1 367.541 3.520 20 0 FHADMP C[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247548689 934158024 /nfs/dbraw/zinc/15/80/24/934158024.db2.gz SAWLTONGZPUEAP-FCGDIQPGSA-N 2 1 357.542 3.590 20 0 FHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458204369 934375105 /nfs/dbraw/zinc/37/51/05/934375105.db2.gz XCGDUMNCSKOMBE-OAQYLSRUSA-N 2 1 369.509 3.567 20 0 FHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ncc(Cl)s3)CC2)cs1 ZINC000472038443 934871430 /nfs/dbraw/zinc/87/14/30/934871430.db2.gz ODWAXPBMDWPJJA-UHFFFAOYSA-N 2 1 370.975 3.817 20 0 FHADMP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc2c1C ZINC000472066693 934932280 /nfs/dbraw/zinc/93/22/80/934932280.db2.gz XEKINDFJJALZDX-UHFFFAOYSA-N 2 1 363.505 3.907 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000511029566 934963189 /nfs/dbraw/zinc/96/31/89/934963189.db2.gz ITRRBHPBEGCCOK-INIZCTEOSA-N 2 1 352.251 3.760 20 0 FHADMP CC(C)c1ccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000064507753 934993367 /nfs/dbraw/zinc/99/33/67/934993367.db2.gz HXUWPUDMWLTCRT-UHFFFAOYSA-N 2 1 369.553 3.517 20 0 FHADMP CC(C)c1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000064507753 934993370 /nfs/dbraw/zinc/99/33/70/934993370.db2.gz HXUWPUDMWLTCRT-UHFFFAOYSA-N 2 1 369.553 3.517 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000277387823 935064698 /nfs/dbraw/zinc/06/46/98/935064698.db2.gz YRHKRZWBXNQHIW-UHFFFAOYSA-N 2 1 367.497 3.840 20 0 FHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000277387823 935064704 /nfs/dbraw/zinc/06/47/04/935064704.db2.gz YRHKRZWBXNQHIW-UHFFFAOYSA-N 2 1 367.497 3.840 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657310182 935080656 /nfs/dbraw/zinc/08/06/56/935080656.db2.gz ALMBCBJTZPUCRW-QGZVFWFLSA-N 2 1 352.526 3.819 20 0 FHADMP CCc1nnc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536489065 935091392 /nfs/dbraw/zinc/09/13/92/935091392.db2.gz YLFFHOIYXIOHEO-KRWDZBQOSA-N 2 1 354.498 3.681 20 0 FHADMP CCc1nnc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536489065 935091399 /nfs/dbraw/zinc/09/13/99/935091399.db2.gz YLFFHOIYXIOHEO-KRWDZBQOSA-N 2 1 354.498 3.681 20 0 FHADMP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)[nH]c2c1 ZINC000657318206 935182922 /nfs/dbraw/zinc/18/29/22/935182922.db2.gz NCJCIBXKCXHFGD-UHFFFAOYSA-N 2 1 362.521 3.514 20 0 FHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000157915534 935228676 /nfs/dbraw/zinc/22/86/76/935228676.db2.gz LSLUDFYCEDGEBU-ROUUACIJSA-N 2 1 359.514 3.806 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1NC(C)=O ZINC000157940153 935236258 /nfs/dbraw/zinc/23/62/58/935236258.db2.gz ZIIAPLSRTJGFDQ-SJORKVTESA-N 2 1 361.530 3.816 20 0 FHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000657333094 935246962 /nfs/dbraw/zinc/24/69/62/935246962.db2.gz ZMDBHCGKUJPIOD-UHFFFAOYSA-N 2 1 354.420 3.569 20 0 FHADMP C[C@H]1CSCCC[NH+]1Cc1cncc(C[N@@H+]2CCCSC[C@@H]2C)c1 ZINC000934297140 935286709 /nfs/dbraw/zinc/28/67/09/935286709.db2.gz AKFSMFMTYBKUDZ-IRXDYDNUSA-N 2 1 365.612 3.736 20 0 FHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657346842 935302880 /nfs/dbraw/zinc/30/28/80/935302880.db2.gz JJUQZXPHVDSJFT-HNNXBMFYSA-N 2 1 354.429 3.944 20 0 FHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)OC(C)(C)C ZINC000161187528 935415331 /nfs/dbraw/zinc/41/53/31/935415331.db2.gz NLAHVDHSWHGWMS-MRXNPFEDSA-N 2 1 361.530 3.607 20 0 FHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985116 945102688 /nfs/dbraw/zinc/10/26/88/945102688.db2.gz VSJOMBNIYXEPCM-JWTNVVGKSA-N 2 1 367.459 3.980 20 0 FHADMP C[NH+](CCc1cccc(C(F)(F)F)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985116 945102694 /nfs/dbraw/zinc/10/26/94/945102694.db2.gz VSJOMBNIYXEPCM-JWTNVVGKSA-N 2 1 367.459 3.980 20 0 FHADMP C[NH+](CCc1cccc(C(F)(F)F)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985116 945102699 /nfs/dbraw/zinc/10/26/99/945102699.db2.gz VSJOMBNIYXEPCM-JWTNVVGKSA-N 2 1 367.459 3.980 20 0 FHADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719407 935479916 /nfs/dbraw/zinc/47/99/16/935479916.db2.gz AARNVTJOZLTWOB-CTNGQTDRSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548719407 935479919 /nfs/dbraw/zinc/47/99/19/935479919.db2.gz AARNVTJOZLTWOB-CTNGQTDRSA-N 2 1 371.569 3.668 20 0 FHADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548719407 935479922 /nfs/dbraw/zinc/47/99/22/935479922.db2.gz AARNVTJOZLTWOB-CTNGQTDRSA-N 2 1 371.569 3.668 20 0 FHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582309868 935509829 /nfs/dbraw/zinc/50/98/29/935509829.db2.gz RMCVOPDZWVCDPF-LJQANCHMSA-N 2 1 359.901 3.951 20 0 FHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000439933442 945106977 /nfs/dbraw/zinc/10/69/77/945106977.db2.gz PRZMPJVKXBWNRR-NRFANRHFSA-N 2 1 373.541 3.753 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963990 945113064 /nfs/dbraw/zinc/11/30/64/945113064.db2.gz WCLNZGOHDFSLPG-DYXWJJEUSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000439963990 945113069 /nfs/dbraw/zinc/11/30/69/945113069.db2.gz WCLNZGOHDFSLPG-DYXWJJEUSA-N 2 1 361.574 3.506 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000439963990 945113074 /nfs/dbraw/zinc/11/30/74/945113074.db2.gz WCLNZGOHDFSLPG-DYXWJJEUSA-N 2 1 361.574 3.506 20 0 FHADMP CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582429032 935689225 /nfs/dbraw/zinc/68/92/25/935689225.db2.gz HWKVJDYMLCAFLJ-WIYYLYMNSA-N 2 1 363.590 3.610 20 0 FHADMP C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430239 935701721 /nfs/dbraw/zinc/70/17/21/935701721.db2.gz PCIQZDQZHCRENP-JLMWRMLUSA-N 2 1 358.526 3.597 20 0 FHADMP CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000657431713 935717865 /nfs/dbraw/zinc/71/78/65/935717865.db2.gz JLFSEONLQZLXBG-QFIPXVFZSA-N 2 1 368.521 3.640 20 0 FHADMP CCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000582514070 935785985 /nfs/dbraw/zinc/78/59/85/935785985.db2.gz JFIYBQKTPLQNGR-INIZCTEOSA-N 2 1 368.468 3.850 20 0 FHADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000516679227 945126503 /nfs/dbraw/zinc/12/65/03/945126503.db2.gz LRVOHXISRZMYGI-LAUBAEHRSA-N 2 1 355.526 3.536 20 0 FHADMP CC(=O)NCc1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000657542375 935988088 /nfs/dbraw/zinc/98/80/88/935988088.db2.gz YAUISLKBGPNTSI-UHFFFAOYSA-N 2 1 367.537 3.571 20 0 FHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000077372449 936046198 /nfs/dbraw/zinc/04/61/98/936046198.db2.gz NVDUTMGUHPEQCF-IBGZPJMESA-N 2 1 371.569 3.839 20 0 FHADMP CC(C)COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595328 936075258 /nfs/dbraw/zinc/07/52/58/936075258.db2.gz OXRWCGPIKMDHFD-JOCHJYFZSA-N 2 1 368.521 3.578 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cc2)C1 ZINC000657595386 936075301 /nfs/dbraw/zinc/07/53/01/936075301.db2.gz HTTIWJZIVWUOCJ-MRXNPFEDSA-N 2 1 370.440 3.623 20 0 FHADMP CCCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000657597624 936081000 /nfs/dbraw/zinc/08/10/00/936081000.db2.gz VWBADVKEVFEAPD-JOCHJYFZSA-N 2 1 368.521 3.640 20 0 FHADMP COc1cc2[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)ccc2c(OC)c1OC ZINC001167624189 936188132 /nfs/dbraw/zinc/18/81/32/936188132.db2.gz AVKFWCYWIUZLBR-UHFFFAOYSA-N 2 1 373.497 3.745 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000536021357 938250038 /nfs/dbraw/zinc/25/00/38/938250038.db2.gz GAJXAHUWBMFETD-GOSISDBHSA-N 2 1 357.498 3.583 20 0 FHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000536021357 938250039 /nfs/dbraw/zinc/25/00/39/938250039.db2.gz GAJXAHUWBMFETD-GOSISDBHSA-N 2 1 357.498 3.583 20 0 FHADMP COc1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2c1 ZINC000650705420 938283082 /nfs/dbraw/zinc/28/30/82/938283082.db2.gz GLZKCLOJYFWJCH-TUNNFDKTSA-N 2 1 354.494 3.567 20 0 FHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C(F)(F)F ZINC000650708960 938291815 /nfs/dbraw/zinc/29/18/15/938291815.db2.gz WRUNFOGSDIEFOQ-LZLYRXPVSA-N 2 1 356.432 3.732 20 0 FHADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564399 938306392 /nfs/dbraw/zinc/30/63/92/938306392.db2.gz OCZCYIPEPOPSBZ-HXUWFJFHSA-N 2 1 360.505 3.823 20 0 FHADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564399 938306393 /nfs/dbraw/zinc/30/63/93/938306393.db2.gz OCZCYIPEPOPSBZ-HXUWFJFHSA-N 2 1 360.505 3.823 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000650722293 938309647 /nfs/dbraw/zinc/30/96/47/938309647.db2.gz OSYWSZULCVSJIM-QFIXIFRTSA-N 2 1 358.457 3.947 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722647 938309793 /nfs/dbraw/zinc/30/97/93/938309793.db2.gz YORVMGLBBIDULB-NZSAHSFTSA-N 2 1 357.523 3.671 20 0 FHADMP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n(CC2CC2)n1 ZINC000657773385 938311072 /nfs/dbraw/zinc/31/10/72/938311072.db2.gz RDMBGSMQFIZVHK-NRFANRHFSA-N 2 1 364.537 3.685 20 0 FHADMP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(CC2CC2)n1 ZINC000657773385 938311073 /nfs/dbraw/zinc/31/10/73/938311073.db2.gz RDMBGSMQFIZVHK-NRFANRHFSA-N 2 1 364.537 3.685 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000650725196 938313238 /nfs/dbraw/zinc/31/32/38/938313238.db2.gz VMQUPOAYZYENOM-BPLDGKMQSA-N 2 1 361.288 3.993 20 0 FHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000650725196 938313240 /nfs/dbraw/zinc/31/32/40/938313240.db2.gz VMQUPOAYZYENOM-BPLDGKMQSA-N 2 1 361.288 3.993 20 0 FHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774107 938317341 /nfs/dbraw/zinc/31/73/41/938317341.db2.gz XCOFSOUIGXHAGI-RTWAWAEBSA-N 2 1 354.538 3.980 20 0 FHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650754469 938408265 /nfs/dbraw/zinc/40/82/65/938408265.db2.gz JVIWLZKWLDCDNX-UHFFFAOYSA-N 3 1 355.501 3.817 20 0 FHADMP C[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1cccc(Br)c1 ZINC000583899394 938473351 /nfs/dbraw/zinc/47/33/51/938473351.db2.gz NPJAJXBPZBYTSA-HFTRVMKXSA-N 2 1 351.332 3.969 20 0 FHADMP C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc(Br)c1 ZINC000583899394 938473353 /nfs/dbraw/zinc/47/33/53/938473353.db2.gz NPJAJXBPZBYTSA-HFTRVMKXSA-N 2 1 351.332 3.969 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)c1 ZINC000080573289 938486343 /nfs/dbraw/zinc/48/63/43/938486343.db2.gz JGMDSOPIXHYLBT-UYAOXDASSA-N 2 1 366.509 3.868 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000080573289 938486345 /nfs/dbraw/zinc/48/63/45/938486345.db2.gz JGMDSOPIXHYLBT-UYAOXDASSA-N 2 1 366.509 3.868 20 0 FHADMP CN(C(=O)C1=CCCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000131926629 938495826 /nfs/dbraw/zinc/49/58/26/938495826.db2.gz UZTOZXQLTRKGOR-SFTDATJTSA-N 2 1 361.574 3.673 20 0 FHADMP Cc1cc(N2CCC([NH2+]Cc3cc4c(cccc4O)s3)CC2)nc(C)[nH+]1 ZINC000894393828 945184547 /nfs/dbraw/zinc/18/45/47/945184547.db2.gz PMRSBCYKYHOKHE-UHFFFAOYSA-N 2 1 368.506 3.772 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278588921 938561562 /nfs/dbraw/zinc/56/15/62/938561562.db2.gz QJXPBMMKJWCGSK-HOTGVXAUSA-N 2 1 374.554 3.665 20 0 FHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278588921 938561563 /nfs/dbraw/zinc/56/15/63/938561563.db2.gz QJXPBMMKJWCGSK-HOTGVXAUSA-N 2 1 374.554 3.665 20 0 FHADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584292260 938671646 /nfs/dbraw/zinc/67/16/46/938671646.db2.gz ZTSWWZZNULMQCG-LJQANCHMSA-N 2 1 356.510 3.507 20 0 FHADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584292260 938671648 /nfs/dbraw/zinc/67/16/48/938671648.db2.gz ZTSWWZZNULMQCG-LJQANCHMSA-N 2 1 356.510 3.507 20 0 FHADMP Cc1cc(N2CCC([N@H+](C)Cc3nc4ccccc4s3)CC2)nc(C)[nH+]1 ZINC000080967716 938710735 /nfs/dbraw/zinc/71/07/35/938710735.db2.gz AJQXRHCCHASWNE-UHFFFAOYSA-N 2 1 367.522 3.804 20 0 FHADMP Cc1cc(N2CCC([N@@H+](C)Cc3nc4ccccc4s3)CC2)nc(C)[nH+]1 ZINC000080967716 938710736 /nfs/dbraw/zinc/71/07/36/938710736.db2.gz AJQXRHCCHASWNE-UHFFFAOYSA-N 2 1 367.522 3.804 20 0 FHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000081156059 938717047 /nfs/dbraw/zinc/71/70/47/938717047.db2.gz AXNPICALRZBTJG-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC2CCCC2)CC1)Cc1ccccc1 ZINC000081156107 938717134 /nfs/dbraw/zinc/71/71/34/938717134.db2.gz GVGPMDGHOWBVHT-UHFFFAOYSA-N 2 1 371.569 3.527 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000081444139 938788905 /nfs/dbraw/zinc/78/89/05/938788905.db2.gz NBUPYZIHOHAFCY-LJQANCHMSA-N 2 1 368.525 3.520 20 0 FHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000081444139 938788907 /nfs/dbraw/zinc/78/89/07/938788907.db2.gz NBUPYZIHOHAFCY-LJQANCHMSA-N 2 1 368.525 3.520 20 0 FHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cn4ccnc4s3)cc2)CC1 ZINC000892381093 938857326 /nfs/dbraw/zinc/85/73/26/938857326.db2.gz RPRMISFHLZGKID-UHFFFAOYSA-N 2 1 369.538 3.786 20 0 FHADMP COCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000090453055 938874040 /nfs/dbraw/zinc/87/40/40/938874040.db2.gz BCCNALJJIHXVBG-SUMWQHHRSA-N 2 1 357.325 3.797 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000090585520 938880333 /nfs/dbraw/zinc/88/03/33/938880333.db2.gz ZWJLMCPJHSHHIV-IRXDYDNUSA-N 2 1 357.542 3.935 20 0 FHADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000090666927 938881496 /nfs/dbraw/zinc/88/14/96/938881496.db2.gz PZRXVCCYFHVKCF-FVRICEFQSA-N 2 1 369.553 3.919 20 0 FHADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000090666927 938881499 /nfs/dbraw/zinc/88/14/99/938881499.db2.gz PZRXVCCYFHVKCF-FVRICEFQSA-N 2 1 369.553 3.919 20 0 FHADMP COc1cccc(COCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000090806994 938882751 /nfs/dbraw/zinc/88/27/51/938882751.db2.gz OEVIIVTXOGBTEJ-UGKGYDQZSA-N 2 1 368.521 3.855 20 0 FHADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000090806994 938882754 /nfs/dbraw/zinc/88/27/54/938882754.db2.gz OEVIIVTXOGBTEJ-UGKGYDQZSA-N 2 1 368.521 3.855 20 0 FHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091287224 938899635 /nfs/dbraw/zinc/89/96/35/938899635.db2.gz JDWDXSXNSYOHMC-QHCPKHFHSA-N 2 1 366.553 3.706 20 0 FHADMP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067016 938910464 /nfs/dbraw/zinc/91/04/64/938910464.db2.gz BEAMWHXXHFCXGS-BEFAXECRSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067016 938910465 /nfs/dbraw/zinc/91/04/65/938910465.db2.gz BEAMWHXXHFCXGS-BEFAXECRSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092067016 938910467 /nfs/dbraw/zinc/91/04/67/938910467.db2.gz BEAMWHXXHFCXGS-BEFAXECRSA-N 2 1 354.523 3.654 20 0 FHADMP c1nc(-c2ccccn2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092067016 938910468 /nfs/dbraw/zinc/91/04/68/938910468.db2.gz BEAMWHXXHFCXGS-BEFAXECRSA-N 2 1 354.523 3.654 20 0 FHADMP CCC[N@H+](Cc1ncccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093193439 938927174 /nfs/dbraw/zinc/92/71/74/938927174.db2.gz NZWBSNFNHONFBV-UHFFFAOYSA-N 2 1 353.514 3.678 20 0 FHADMP CCC[N@@H+](Cc1ncccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093193439 938927176 /nfs/dbraw/zinc/92/71/76/938927176.db2.gz NZWBSNFNHONFBV-UHFFFAOYSA-N 2 1 353.514 3.678 20 0 FHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741888 938929649 /nfs/dbraw/zinc/92/96/49/938929649.db2.gz GOADKUBFDRXEQK-OAQYLSRUSA-N 2 1 354.542 3.712 20 0 FHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741888 938929650 /nfs/dbraw/zinc/92/96/50/938929650.db2.gz GOADKUBFDRXEQK-OAQYLSRUSA-N 2 1 354.542 3.712 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741888 938929652 /nfs/dbraw/zinc/92/96/52/938929652.db2.gz GOADKUBFDRXEQK-OAQYLSRUSA-N 2 1 354.542 3.712 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093741888 938929653 /nfs/dbraw/zinc/92/96/53/938929653.db2.gz GOADKUBFDRXEQK-OAQYLSRUSA-N 2 1 354.542 3.712 20 0 FHADMP CCn1nc(C)c(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093818767 938930387 /nfs/dbraw/zinc/93/03/87/938930387.db2.gz UORKKMUTUYOBNH-OAQYLSRUSA-N 2 1 354.542 3.864 20 0 FHADMP CCn1nc(C)c(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093818767 938930390 /nfs/dbraw/zinc/93/03/90/938930390.db2.gz UORKKMUTUYOBNH-OAQYLSRUSA-N 2 1 354.542 3.864 20 0 FHADMP CCn1nc(C)c(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093818767 938930391 /nfs/dbraw/zinc/93/03/91/938930391.db2.gz UORKKMUTUYOBNH-OAQYLSRUSA-N 2 1 354.542 3.864 20 0 FHADMP CCn1nc(C)c(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093818767 938930392 /nfs/dbraw/zinc/93/03/92/938930392.db2.gz UORKKMUTUYOBNH-OAQYLSRUSA-N 2 1 354.542 3.864 20 0 FHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737220 938936987 /nfs/dbraw/zinc/93/69/87/938936987.db2.gz VTFYEPVHBKCAFM-OAHLLOKOSA-N 2 1 371.447 3.698 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737220 938936988 /nfs/dbraw/zinc/93/69/88/938936988.db2.gz VTFYEPVHBKCAFM-OAHLLOKOSA-N 2 1 371.447 3.698 20 0 FHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737220 938936991 /nfs/dbraw/zinc/93/69/91/938936991.db2.gz VTFYEPVHBKCAFM-OAHLLOKOSA-N 2 1 371.447 3.698 20 0 FHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000067222565 938963216 /nfs/dbraw/zinc/96/32/16/938963216.db2.gz RLVWYZLXPPTKEC-QGZVFWFLSA-N 2 1 360.933 3.964 20 0 FHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000067222565 938963217 /nfs/dbraw/zinc/96/32/17/938963217.db2.gz RLVWYZLXPPTKEC-QGZVFWFLSA-N 2 1 360.933 3.964 20 0 FHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768689 938965879 /nfs/dbraw/zinc/96/58/79/938965879.db2.gz OAPXTXLUWXINOR-DOTOQJQBSA-N 2 1 356.432 3.714 20 0 FHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768689 938965880 /nfs/dbraw/zinc/96/58/80/938965880.db2.gz OAPXTXLUWXINOR-DOTOQJQBSA-N 2 1 356.432 3.714 20 0 FHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000548832174 938969194 /nfs/dbraw/zinc/96/91/94/938969194.db2.gz OQCUYQMEKLHTMM-UHFFFAOYSA-N 2 1 351.494 3.578 20 0 FHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431567728 938975379 /nfs/dbraw/zinc/97/53/79/938975379.db2.gz WWSHGMAWULDXSW-UXHICEINSA-N 2 1 373.541 3.720 20 0 FHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567728 938975380 /nfs/dbraw/zinc/97/53/80/938975380.db2.gz WWSHGMAWULDXSW-UXHICEINSA-N 2 1 373.541 3.720 20 0 FHADMP Fc1cc(F)cc(C2CC([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000685421154 938985062 /nfs/dbraw/zinc/98/50/62/938985062.db2.gz XWVRVZSFEBBWGR-UHFFFAOYSA-N 2 1 372.459 3.833 20 0 FHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCCC3CCCCC3)cc2)CC1 ZINC000685421395 938985459 /nfs/dbraw/zinc/98/54/59/938985459.db2.gz ITQWIHYCCRRAKX-UHFFFAOYSA-N 2 1 357.542 3.524 20 0 FHADMP C[C@H]([NH2+][C@H]1CCc2cc(O)ccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685429412 938986471 /nfs/dbraw/zinc/98/64/71/938986471.db2.gz JPPLRZNTFLTLDA-HSQYWUDLSA-N 2 1 350.506 3.750 20 0 FHADMP c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000685438179 938987153 /nfs/dbraw/zinc/98/71/53/938987153.db2.gz YLKSZWGASQSMLA-NRFANRHFSA-N 2 1 354.498 3.612 20 0 FHADMP c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000685438179 938987154 /nfs/dbraw/zinc/98/71/54/938987154.db2.gz YLKSZWGASQSMLA-NRFANRHFSA-N 2 1 354.498 3.612 20 0 FHADMP C[N@H+](Cc1ccc(Oc2ccccc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457750 938987954 /nfs/dbraw/zinc/98/79/54/938987954.db2.gz LYDJMYYISHNDKM-IBGZPJMESA-N 2 1 369.509 3.672 20 0 FHADMP C[N@@H+](Cc1ccc(Oc2ccccc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457750 938987955 /nfs/dbraw/zinc/98/79/55/938987955.db2.gz LYDJMYYISHNDKM-IBGZPJMESA-N 2 1 369.509 3.672 20 0 FHADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457908 938988065 /nfs/dbraw/zinc/98/80/65/938988065.db2.gz SEQBNZVUXKUFGF-FQEVSTJZSA-N 2 1 371.500 3.686 20 0 FHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccccc2-n2cncn2)CC1)CC(C)C ZINC000685462612 938988686 /nfs/dbraw/zinc/98/86/86/938988686.db2.gz GTLUSUOEVGCXOB-UHFFFAOYSA-N 2 1 369.557 3.847 20 0 FHADMP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000309684723 939010102 /nfs/dbraw/zinc/01/01/02/939010102.db2.gz FIOKCHZLZJLIEQ-GOSISDBHSA-N 2 1 361.530 3.544 20 0 FHADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000132219287 939012680 /nfs/dbraw/zinc/01/26/80/939012680.db2.gz OLUGPXRNDJZDLL-UHFFFAOYSA-N 2 1 352.482 3.607 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596852 939015846 /nfs/dbraw/zinc/01/58/46/939015846.db2.gz HYGHTAGFCXMNEJ-LJQANCHMSA-N 2 1 352.526 3.913 20 0 FHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596852 939015847 /nfs/dbraw/zinc/01/58/47/939015847.db2.gz HYGHTAGFCXMNEJ-LJQANCHMSA-N 2 1 352.526 3.913 20 0 FHADMP C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000658041849 939019823 /nfs/dbraw/zinc/01/98/23/939019823.db2.gz JSOFFNJQZDTMCP-YJLNNSPDSA-N 2 1 374.326 3.840 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000658041849 939019824 /nfs/dbraw/zinc/01/98/24/939019824.db2.gz JSOFFNJQZDTMCP-YJLNNSPDSA-N 2 1 374.326 3.840 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@@H](C)C1 ZINC000658126668 939034108 /nfs/dbraw/zinc/03/41/08/939034108.db2.gz HCSFSNWGRNMSFO-RXVVDRJESA-N 2 1 355.526 3.504 20 0 FHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142796 939035344 /nfs/dbraw/zinc/03/53/44/939035344.db2.gz WMZJVIIGHDVEQC-JTHBVZDNSA-N 2 1 350.506 3.811 20 0 FHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142905 939035662 /nfs/dbraw/zinc/03/56/62/939035662.db2.gz ZVAVSQBZTVQTEG-FRGLQRNOSA-N 2 1 350.506 3.666 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143139 939035943 /nfs/dbraw/zinc/03/59/43/939035943.db2.gz WXWHGARUWNQLIW-DYESRHJHSA-N 2 1 361.489 3.652 20 0 FHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1 ZINC000658143512 939036691 /nfs/dbraw/zinc/03/66/91/939036691.db2.gz ZHKPEDSNKAVCNS-IRLDBZIGSA-N 2 1 354.494 3.503 20 0 FHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137167 939040360 /nfs/dbraw/zinc/04/03/60/939040360.db2.gz JHVYIPCEPPNIIN-FGZHOGPDSA-N 2 1 354.469 3.633 20 0 FHADMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@@H]1c1ccccc1 ZINC000658138058 939040676 /nfs/dbraw/zinc/04/06/76/939040676.db2.gz MKLJYORGODUKBW-VQROGVPDSA-N 2 1 350.506 3.535 20 0 FHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137441 939041103 /nfs/dbraw/zinc/04/11/03/939041103.db2.gz GVCVSBPXOFDJLN-HTAPYJJXSA-N 2 1 356.485 3.503 20 0 FHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139549 939043016 /nfs/dbraw/zinc/04/30/16/939043016.db2.gz MZGHPBGPDPLBCK-BEFAXECRSA-N 2 1 367.518 3.714 20 0 FHADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316302 939109253 /nfs/dbraw/zinc/10/92/53/939109253.db2.gz DSCFYUADYBXNKG-CTNGQTDRSA-N 2 1 364.537 3.689 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320405 939111174 /nfs/dbraw/zinc/11/11/74/939111174.db2.gz WAEFGNLGXHEBNA-VQTJNVASSA-N 2 1 352.526 3.763 20 0 FHADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccn1C ZINC000658320405 939111176 /nfs/dbraw/zinc/11/11/76/939111176.db2.gz WAEFGNLGXHEBNA-VQTJNVASSA-N 2 1 352.526 3.763 20 0 FHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1F ZINC000421823179 939127345 /nfs/dbraw/zinc/12/73/45/939127345.db2.gz CIOQYXLUKIHZFG-GOSISDBHSA-N 2 1 350.441 3.752 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000507429562 945231868 /nfs/dbraw/zinc/23/18/68/945231868.db2.gz PCVUJJHVIJNSLN-BURNTYAHSA-N 2 1 354.494 3.857 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000507429562 945231882 /nfs/dbraw/zinc/23/18/82/945231882.db2.gz PCVUJJHVIJNSLN-BURNTYAHSA-N 2 1 354.494 3.857 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000507429564 945232151 /nfs/dbraw/zinc/23/21/51/945232151.db2.gz PCVUJJHVIJNSLN-NCYKPQTJSA-N 2 1 354.494 3.857 20 0 FHADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000507429564 945232153 /nfs/dbraw/zinc/23/21/53/945232153.db2.gz PCVUJJHVIJNSLN-NCYKPQTJSA-N 2 1 354.494 3.857 20 0 FHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)s1 ZINC000892466265 939216005 /nfs/dbraw/zinc/21/60/05/939216005.db2.gz NFQHMHGONJVZNH-UHFFFAOYSA-N 2 1 373.522 3.596 20 0 FHADMP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414901249 945244587 /nfs/dbraw/zinc/24/45/87/945244587.db2.gz JKWJKNJIDDKROL-SFHVURJKSA-N 2 1 357.502 3.550 20 0 FHADMP CCCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(C)n1 ZINC000507497019 945268361 /nfs/dbraw/zinc/26/83/61/945268361.db2.gz QKJYPFNPMHYXGN-AKIFATBCSA-N 2 1 366.553 3.992 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@@H]21 ZINC000375836172 939957817 /nfs/dbraw/zinc/95/78/17/939957817.db2.gz BJKWVRZFPTYKPA-AOIWGVFYSA-N 2 1 356.539 3.600 20 0 FHADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000507536274 945295745 /nfs/dbraw/zinc/29/57/45/945295745.db2.gz WLXJOJWILQQYKX-ZHHKINOHSA-N 2 1 356.554 3.675 20 0 FHADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507520571 945299672 /nfs/dbraw/zinc/29/96/72/945299672.db2.gz RLKFOFNCZSCSJR-WTGUMLROSA-N 2 1 356.535 3.590 20 0 FHADMP C[NH+](C)C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507526213 945303163 /nfs/dbraw/zinc/30/31/63/945303163.db2.gz LKWNBYIRLRAFQE-XQUALCHDSA-N 2 1 363.549 3.790 20 0 FHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000647490435 940209218 /nfs/dbraw/zinc/20/92/18/940209218.db2.gz XIZMCNLZTBZYOD-KRWDZBQOSA-N 2 1 364.468 3.767 20 0 FHADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652135562 945308388 /nfs/dbraw/zinc/30/83/88/945308388.db2.gz UYWDHBDGVHXJBU-KRWDZBQOSA-N 2 1 350.503 3.628 20 0 FHADMP C[C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H]1C[NH3+] ZINC000644063520 940383933 /nfs/dbraw/zinc/38/39/33/940383933.db2.gz DOAYXZJHPXXILD-GCJKJVERSA-N 2 1 365.521 3.518 20 0 FHADMP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647498247 940387247 /nfs/dbraw/zinc/38/72/47/940387247.db2.gz DCYQEDFRTCCNPL-AZUAARDMSA-N 2 1 372.484 3.973 20 0 FHADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647498247 940387249 /nfs/dbraw/zinc/38/72/49/940387249.db2.gz DCYQEDFRTCCNPL-AZUAARDMSA-N 2 1 372.484 3.973 20 0 FHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054397 940462256 /nfs/dbraw/zinc/46/22/56/940462256.db2.gz BLGUJSFYZBFBSU-PZJWPPBQSA-N 2 1 363.977 3.983 20 0 FHADMP CC(C)[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000613260008 940494835 /nfs/dbraw/zinc/49/48/35/940494835.db2.gz XISBXCUNYDAYPN-QFIPXVFZSA-N 2 1 361.574 3.617 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431801968 940606626 /nfs/dbraw/zinc/60/66/26/940606626.db2.gz QTLVGRAGJSEZTI-HJNYFJLDSA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801968 940606628 /nfs/dbraw/zinc/60/66/28/940606628.db2.gz QTLVGRAGJSEZTI-HJNYFJLDSA-N 2 1 371.569 3.762 20 0 FHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431801968 940606631 /nfs/dbraw/zinc/60/66/31/940606631.db2.gz QTLVGRAGJSEZTI-HJNYFJLDSA-N 2 1 371.569 3.762 20 0 FHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2ccccc2n1 ZINC000431805065 940617051 /nfs/dbraw/zinc/61/70/51/940617051.db2.gz PBHUHIAOFIAHFZ-UHFFFAOYSA-N 2 1 366.553 3.867 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000282330091 940641263 /nfs/dbraw/zinc/64/12/63/940641263.db2.gz FSXAGUOLAIGZBW-FQEVSTJZSA-N 2 1 358.526 3.562 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000282330091 940641266 /nfs/dbraw/zinc/64/12/66/940641266.db2.gz FSXAGUOLAIGZBW-FQEVSTJZSA-N 2 1 358.526 3.562 20 0 FHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295972 940718288 /nfs/dbraw/zinc/71/82/88/940718288.db2.gz MITOHHHXWIPYAN-ZWKOTPCHSA-N 2 1 371.569 3.594 20 0 FHADMP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000414334486 940989874 /nfs/dbraw/zinc/98/98/74/940989874.db2.gz BLEBSAKLTLLREG-QFIPXVFZSA-N 2 1 367.512 3.701 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000511509294 941050883 /nfs/dbraw/zinc/05/08/83/941050883.db2.gz APNPJXFKQSFATG-JOCHJYFZSA-N 2 1 367.537 3.951 20 0 FHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544062 941065925 /nfs/dbraw/zinc/06/59/25/941065925.db2.gz VYOCZKCJTQPFEO-GJZGRUSLSA-N 2 1 354.441 3.508 20 0 FHADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000414388413 941081087 /nfs/dbraw/zinc/08/10/87/941081087.db2.gz CBSJCYQNOJSMDW-INIZCTEOSA-N 2 1 356.432 3.604 20 0 FHADMP C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376639038 941370245 /nfs/dbraw/zinc/37/02/45/941370245.db2.gz ZOHCZWPHHIAFSN-WZONZLPQSA-N 2 1 361.533 3.714 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000376804979 941435329 /nfs/dbraw/zinc/43/53/29/941435329.db2.gz APWRINSIJMKPFJ-NBQZKYEYSA-N 2 1 369.538 3.751 20 0 FHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000376804979 941435332 /nfs/dbraw/zinc/43/53/32/941435332.db2.gz APWRINSIJMKPFJ-NBQZKYEYSA-N 2 1 369.538 3.751 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832539 941443557 /nfs/dbraw/zinc/44/35/57/941443557.db2.gz VWMSINIIVBCYTO-RIFZZMRRSA-N 2 1 367.522 3.672 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000376832539 941443558 /nfs/dbraw/zinc/44/35/58/941443558.db2.gz VWMSINIIVBCYTO-RIFZZMRRSA-N 2 1 367.522 3.672 20 0 FHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041639 941561423 /nfs/dbraw/zinc/56/14/23/941561423.db2.gz LNLBRTAGGFJQQY-HOTGVXAUSA-N 2 1 372.431 3.600 20 0 FHADMP Clc1cccc(Cl)c1CCC[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047674 941564765 /nfs/dbraw/zinc/56/47/65/941564765.db2.gz FLECWGGPKFZVKH-UHFFFAOYSA-N 2 1 370.368 3.732 20 0 FHADMP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047569 941564862 /nfs/dbraw/zinc/56/48/62/941564862.db2.gz DXXWYCAVBKISHA-RHZYHWHBSA-N 2 1 361.961 3.782 20 0 FHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415051697 941567441 /nfs/dbraw/zinc/56/74/41/941567441.db2.gz MKWRDYLPCDGLGT-PZJWPPBQSA-N 2 1 351.494 3.721 20 0 FHADMP c1ccc(COc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056580 941576180 /nfs/dbraw/zinc/57/61/80/941576180.db2.gz SLRZDLGYGXMIDI-KNQAVFIVSA-N 2 1 351.494 3.625 20 0 FHADMP Fc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075459 941586744 /nfs/dbraw/zinc/58/67/44/941586744.db2.gz BLBVXKMPVMGJQH-UYAOXDASSA-N 2 1 350.441 3.594 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000415081212 941592160 /nfs/dbraw/zinc/59/21/60/941592160.db2.gz KKWGTIVLVIVGFM-XJABCFGWSA-N 2 1 363.505 3.957 20 0 FHADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415085787 941596471 /nfs/dbraw/zinc/59/64/71/941596471.db2.gz QVSROPXFIQBJRU-SFTDATJTSA-N 2 1 354.494 3.603 20 0 FHADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)ccc1OCc1ccncc1 ZINC000415095282 941598969 /nfs/dbraw/zinc/59/89/69/941598969.db2.gz ZIMUIUUSDQGTBU-VQIMIIECSA-N 2 1 357.498 3.693 20 0 FHADMP CCOc1ccc(Oc2cc(C[NH2+][C@H](C)C[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000415097319 941600515 /nfs/dbraw/zinc/60/05/15/941600515.db2.gz CUCYGYMGDOILSP-AEFFLSMTSA-N 2 1 355.482 3.893 20 0 FHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000415100602 941603908 /nfs/dbraw/zinc/60/39/08/941603908.db2.gz AVUQKJVDJLLZAK-YOEHRIQHSA-N 2 1 361.288 3.851 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134887 941621955 /nfs/dbraw/zinc/62/19/55/941621955.db2.gz WHHOSENWFBLWQV-RDJZCZTQSA-N 2 1 360.523 3.752 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131526 941624002 /nfs/dbraw/zinc/62/40/02/941624002.db2.gz SOGHNSGPUSURCF-FXAWDEMLSA-N 2 1 354.494 3.691 20 0 FHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131527 941624171 /nfs/dbraw/zinc/62/41/71/941624171.db2.gz SOGHNSGPUSURCF-PXNSSMCTSA-N 2 1 354.494 3.691 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000377300727 941627803 /nfs/dbraw/zinc/62/78/03/941627803.db2.gz WYIGGEADNLZENV-WMZOPIPTSA-N 2 1 365.399 3.763 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000377300727 941627806 /nfs/dbraw/zinc/62/78/06/941627806.db2.gz WYIGGEADNLZENV-WMZOPIPTSA-N 2 1 365.399 3.763 20 0 FHADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)[C@@H]1c1cccnc1 ZINC000377300356 941628241 /nfs/dbraw/zinc/62/82/41/941628241.db2.gz UURYHDWUKMWRDO-WMZOPIPTSA-N 2 1 360.299 3.627 20 0 FHADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)[C@@H]1c1cccnc1 ZINC000377300356 941628242 /nfs/dbraw/zinc/62/82/42/941628242.db2.gz UURYHDWUKMWRDO-WMZOPIPTSA-N 2 1 360.299 3.627 20 0 FHADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460387747 941659793 /nfs/dbraw/zinc/65/97/93/941659793.db2.gz QCNHKFYPZBPVGC-UZLBHIALSA-N 2 1 373.928 3.752 20 0 FHADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460387747 941659796 /nfs/dbraw/zinc/65/97/96/941659796.db2.gz QCNHKFYPZBPVGC-UZLBHIALSA-N 2 1 373.928 3.752 20 0 FHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000311945567 941697464 /nfs/dbraw/zinc/69/74/64/941697464.db2.gz IPWKJFGDSAOPCD-AEFFLSMTSA-N 2 1 364.534 3.739 20 0 FHADMP Cc1c(F)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Br ZINC001204734993 941762739 /nfs/dbraw/zinc/76/27/39/941762739.db2.gz ITITYXCNXQQGKD-UHFFFAOYSA-N 2 1 355.295 3.862 20 0 FHADMP O[C@@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513204669 941780655 /nfs/dbraw/zinc/78/06/55/941780655.db2.gz UGSSTQFPZAQFEK-VQTJNVASSA-N 2 1 366.496 3.610 20 0 FHADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)CC1 ZINC000377623452 941849804 /nfs/dbraw/zinc/84/98/04/941849804.db2.gz JLGPEHQKJAIFMZ-LJQANCHMSA-N 2 1 369.509 3.531 20 0 FHADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)CC1 ZINC000377623452 941849807 /nfs/dbraw/zinc/84/98/07/941849807.db2.gz JLGPEHQKJAIFMZ-LJQANCHMSA-N 2 1 369.509 3.531 20 0 FHADMP C[C@H](CC[NH2+]C1CCN(c2nccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000513330204 941855907 /nfs/dbraw/zinc/85/59/07/941855907.db2.gz JQXRYUGDZYNEPL-QGZVFWFLSA-N 2 1 358.555 3.612 20 0 FHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000066795625 941857156 /nfs/dbraw/zinc/85/71/56/941857156.db2.gz WJRHZZHNNFVSQG-UHFFFAOYSA-N 2 1 358.436 3.856 20 0 FHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nc1 ZINC000893018147 941891890 /nfs/dbraw/zinc/89/18/90/941891890.db2.gz FIWWPIIXNKLKLQ-UHFFFAOYSA-N 2 1 351.450 3.605 20 0 FHADMP COCCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513410780 941894562 /nfs/dbraw/zinc/89/45/62/941894562.db2.gz GTTHYAHVXFMKRD-OAQYLSRUSA-N 2 1 360.542 3.800 20 0 FHADMP COCCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513410780 941894566 /nfs/dbraw/zinc/89/45/66/941894566.db2.gz GTTHYAHVXFMKRD-OAQYLSRUSA-N 2 1 360.542 3.800 20 0 FHADMP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513408493 941902870 /nfs/dbraw/zinc/90/28/70/941902870.db2.gz NKOZPFBNPQQEQY-JKSUJKDBSA-N 2 1 361.496 3.646 20 0 FHADMP CCOc1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000377700461 941910948 /nfs/dbraw/zinc/91/09/48/941910948.db2.gz NEIRKBNFONODDA-UHFFFAOYSA-N 2 1 355.482 3.590 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(-c4ccc(C)cc4)c3)C2)CC1 ZINC000513451073 941938285 /nfs/dbraw/zinc/93/82/85/941938285.db2.gz NSMQDOCYXRMOJP-DEOSSOPVSA-N 2 1 363.549 3.874 20 0 FHADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991134 941938974 /nfs/dbraw/zinc/93/89/74/941938974.db2.gz PZCLUCMDTAMLSS-UGKGYDQZSA-N 2 1 356.485 3.751 20 0 FHADMP C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462629 941941265 /nfs/dbraw/zinc/94/12/65/941941265.db2.gz FVJMQKWQFQCPSP-WTIAFYNJSA-N 2 1 351.538 3.932 20 0 FHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)CC1 ZINC000093133409 941949968 /nfs/dbraw/zinc/94/99/68/941949968.db2.gz CDCMMGFTEVHXFD-IBGZPJMESA-N 2 1 373.541 3.766 20 0 FHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@H+]1Cc1ccccc1 ZINC000513502465 941974123 /nfs/dbraw/zinc/97/41/23/941974123.db2.gz ZYZYHUDIJWSVJN-PKOBYXMFSA-N 2 1 352.478 3.806 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524283 941982180 /nfs/dbraw/zinc/98/21/80/941982180.db2.gz GGEGXFIOELDONT-JQVVWYNYSA-N 2 1 352.526 3.718 20 0 FHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524283 941982182 /nfs/dbraw/zinc/98/21/82/941982182.db2.gz GGEGXFIOELDONT-JQVVWYNYSA-N 2 1 352.526 3.718 20 0 FHADMP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1C ZINC000434007668 942037172 /nfs/dbraw/zinc/03/71/72/942037172.db2.gz WHZOTBKSXLNMNA-SFTDATJTSA-N 2 1 353.510 3.832 20 0 FHADMP Clc1ccc2[nH+]ccc(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000513651377 942055846 /nfs/dbraw/zinc/05/58/46/942055846.db2.gz ZERSOGQBSFWEDR-UHFFFAOYSA-N 2 1 359.901 3.827 20 0 FHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513656723 942059552 /nfs/dbraw/zinc/05/95/52/942059552.db2.gz WVLBEKCVTXJXKA-RRQGHBQHSA-N 2 1 355.295 3.593 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000415905879 942134069 /nfs/dbraw/zinc/13/40/69/942134069.db2.gz JCHQLKQIUHAUCY-QUCCMNQESA-N 2 1 372.557 3.914 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000415920775 942148432 /nfs/dbraw/zinc/14/84/32/942148432.db2.gz PLDHHBQUBMTMFK-FQEVSTJZSA-N 2 1 358.530 3.715 20 0 FHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415924346 942151598 /nfs/dbraw/zinc/15/15/98/942151598.db2.gz WHYJCNPJWDTKOE-WMZOPIPTSA-N 2 1 358.530 3.571 20 0 FHADMP CC[C@@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000415919373 942155691 /nfs/dbraw/zinc/15/56/91/942155691.db2.gz HRLMDPFCFVIGNB-HXUWFJFHSA-N 2 1 366.509 3.534 20 0 FHADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000647882855 942165516 /nfs/dbraw/zinc/16/55/16/942165516.db2.gz HWIIQWVJBMDFSF-UHFFFAOYSA-N 2 1 371.569 3.783 20 0 FHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000415958870 942207143 /nfs/dbraw/zinc/20/71/43/942207143.db2.gz RTYLZIPNNNBIDC-FQEVSTJZSA-N 2 1 372.557 3.962 20 0 FHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000415974846 942227089 /nfs/dbraw/zinc/22/70/89/942227089.db2.gz RQLAYHBVZZSHDY-UHFFFAOYSA-N 2 1 354.498 3.568 20 0 FHADMP COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420900908 942244896 /nfs/dbraw/zinc/24/48/96/942244896.db2.gz JVVZUJDLUDTHFB-GOSISDBHSA-N 2 1 354.494 3.720 20 0 FHADMP COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420900908 942244903 /nfs/dbraw/zinc/24/49/03/942244903.db2.gz JVVZUJDLUDTHFB-GOSISDBHSA-N 2 1 354.494 3.720 20 0 FHADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500985164 942246464 /nfs/dbraw/zinc/24/64/64/942246464.db2.gz QQEXRIQSAJHZNX-INIZCTEOSA-N 2 1 371.491 3.767 20 0 FHADMP Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910984 942249799 /nfs/dbraw/zinc/24/97/99/942249799.db2.gz FWIZYSKVCFESID-QFIPXVFZSA-N 2 1 353.510 3.585 20 0 FHADMP Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910984 942249802 /nfs/dbraw/zinc/24/98/02/942249802.db2.gz FWIZYSKVCFESID-QFIPXVFZSA-N 2 1 353.510 3.585 20 0 FHADMP c1ccc(N[C@@H]2CCC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000420942103 942265853 /nfs/dbraw/zinc/26/58/53/942265853.db2.gz URIZBQLVCAWKPH-HSZRJFAPSA-N 2 1 365.521 3.595 20 0 FHADMP CCOc1ccccc1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501020563 942266217 /nfs/dbraw/zinc/26/62/17/942266217.db2.gz LZZDFDKDJQGTCY-UHFFFAOYSA-N 2 1 369.509 3.708 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc4ccc(C)cc4c3)CC2)CC1 ZINC000420973006 942286102 /nfs/dbraw/zinc/28/61/02/942286102.db2.gz BTDFGXZCUAUQBH-UHFFFAOYSA-N 2 1 366.553 3.535 20 0 FHADMP C[N@@H+](CCOc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066325 942286697 /nfs/dbraw/zinc/28/66/97/942286697.db2.gz DKPSUDLVWOARDW-UHFFFAOYSA-N 2 1 359.901 3.962 20 0 FHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1OC ZINC000501105696 942309585 /nfs/dbraw/zinc/30/95/85/942309585.db2.gz LACCXMGRWLFBFR-HXUWFJFHSA-N 2 1 361.574 3.884 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000502270107 942321981 /nfs/dbraw/zinc/32/19/81/942321981.db2.gz QLFONQXJQZYZSH-JQVVWYNYSA-N 2 1 372.553 3.735 20 0 FHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccsc21 ZINC000501195341 942345812 /nfs/dbraw/zinc/34/58/12/942345812.db2.gz MYHZXVKXBMHDFE-QGZVFWFLSA-N 2 1 374.554 3.781 20 0 FHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000421080123 942347375 /nfs/dbraw/zinc/34/73/75/942347375.db2.gz DAFNTDOVLPVVBY-NRFANRHFSA-N 2 1 372.557 3.519 20 0 FHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659911481 942413313 /nfs/dbraw/zinc/41/33/13/942413313.db2.gz YHBTXYHNWCSYNL-GOSISDBHSA-N 2 1 367.990 3.534 20 0 FHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659911481 942413317 /nfs/dbraw/zinc/41/33/17/942413317.db2.gz YHBTXYHNWCSYNL-GOSISDBHSA-N 2 1 367.990 3.534 20 0 FHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501358976 942432279 /nfs/dbraw/zinc/43/22/79/942432279.db2.gz BVYNVLISQTYFBS-FDFHNCONSA-N 2 1 371.569 3.666 20 0 FHADMP Fc1ccc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1Br ZINC001204735425 942489251 /nfs/dbraw/zinc/48/92/51/942489251.db2.gz ULTVKNAWHORZOV-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP Fc1ccc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Br ZINC001204735425 942489252 /nfs/dbraw/zinc/48/92/52/942489252.db2.gz ULTVKNAWHORZOV-UHFFFAOYSA-N 2 1 359.258 3.693 20 0 FHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4nc(C)sc4c3)CC2)CC1 ZINC000421368852 942520813 /nfs/dbraw/zinc/52/08/13/942520813.db2.gz GTNFCEGATOKUBG-UHFFFAOYSA-N 2 1 372.582 3.597 20 0 FHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000416249400 942540013 /nfs/dbraw/zinc/54/00/13/942540013.db2.gz XMILNDLCRNYEPC-JOCHJYFZSA-N 2 1 363.505 3.622 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501617136 942576573 /nfs/dbraw/zinc/57/65/73/942576573.db2.gz GKMWFERHTQHQKP-MOPGFXCFSA-N 2 1 368.525 3.518 20 0 FHADMP CC(C)c1nccn1CCC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000501617136 942576576 /nfs/dbraw/zinc/57/65/76/942576576.db2.gz GKMWFERHTQHQKP-MOPGFXCFSA-N 2 1 368.525 3.518 20 0 FHADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)CC(=O)NCCc2ccccc2)cc1 ZINC000414844586 942611817 /nfs/dbraw/zinc/61/18/17/942611817.db2.gz KXKSPKPZROKEQK-PGRDOPGGSA-N 2 1 367.537 3.537 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000420304762 942612300 /nfs/dbraw/zinc/61/23/00/942612300.db2.gz YLWVJRWBDSUPBG-HNNXBMFYSA-N 2 1 351.450 3.545 20 0 FHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000420304762 942612306 /nfs/dbraw/zinc/61/23/06/942612306.db2.gz YLWVJRWBDSUPBG-HNNXBMFYSA-N 2 1 351.450 3.545 20 0 FHADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305871 942612951 /nfs/dbraw/zinc/61/29/51/942612951.db2.gz GXPBGIDFRVAVPZ-JXFKEZNVSA-N 2 1 355.457 3.566 20 0 FHADMP FC1(F)CCC[C@H](C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000420307537 942613114 /nfs/dbraw/zinc/61/31/14/942613114.db2.gz IZHOVMYUKRAMEZ-GJZGRUSLSA-N 2 1 355.498 3.913 20 0 FHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420309978 942615401 /nfs/dbraw/zinc/61/54/01/942615401.db2.gz LVEYWPMHCUPQJW-GOSISDBHSA-N 2 1 363.505 3.511 20 0 FHADMP Cc1ccc(C)c(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420312107 942616084 /nfs/dbraw/zinc/61/60/84/942616084.db2.gz OHVACESFOXZVGZ-OAQYLSRUSA-N 2 1 353.510 3.722 20 0 FHADMP Cc1ccc(C)c(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420312107 942616087 /nfs/dbraw/zinc/61/60/87/942616087.db2.gz OHVACESFOXZVGZ-OAQYLSRUSA-N 2 1 353.510 3.722 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000420318975 942620289 /nfs/dbraw/zinc/62/02/89/942620289.db2.gz QWADQXKGYURVIU-IRXDYDNUSA-N 2 1 363.461 3.545 20 0 FHADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000420318975 942620295 /nfs/dbraw/zinc/62/02/95/942620295.db2.gz QWADQXKGYURVIU-IRXDYDNUSA-N 2 1 363.461 3.545 20 0 FHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321226 942620928 /nfs/dbraw/zinc/62/09/28/942620928.db2.gz QXUUHBKVUWJTMW-QZTJIDSGSA-N 2 1 359.539 3.690 20 0 FHADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320349 942621341 /nfs/dbraw/zinc/62/13/41/942621341.db2.gz BIZLDAOENQGXQP-XIRDDKMYSA-N 2 1 358.461 3.567 20 0 FHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327925 942630293 /nfs/dbraw/zinc/63/02/93/942630293.db2.gz LSWXBKUKPFMAQX-BMFZPTHFSA-N 2 1 360.889 3.773 20 0 FHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332010 942631592 /nfs/dbraw/zinc/63/15/92/942631592.db2.gz RDJFNCIOWMVSRZ-GJZGRUSLSA-N 2 1 358.507 3.509 20 0 FHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000420357346 942637059 /nfs/dbraw/zinc/63/70/59/942637059.db2.gz HKTKRQOXEMPSJZ-ZDUSSCGKSA-N 2 1 363.246 3.528 20 0 FHADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365398 942640495 /nfs/dbraw/zinc/64/04/95/942640495.db2.gz SAKQIQXBJJJHOY-QAPCUYQASA-N 2 1 359.539 3.766 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000420366219 942640962 /nfs/dbraw/zinc/64/09/62/942640962.db2.gz FUUPNHLOZIBWLM-FPOVZHCZSA-N 2 1 372.484 3.558 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367568 942641989 /nfs/dbraw/zinc/64/19/89/942641989.db2.gz HAGUYXJXSXAZNJ-WMZOPIPTSA-N 2 1 360.885 3.544 20 0 FHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000420367568 942641994 /nfs/dbraw/zinc/64/19/94/942641994.db2.gz HAGUYXJXSXAZNJ-WMZOPIPTSA-N 2 1 360.885 3.544 20 0 FHADMP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420377989 942646228 /nfs/dbraw/zinc/64/62/28/942646228.db2.gz TZDBQZAYTIRSGJ-RVKKMQEKSA-N 2 1 367.331 3.601 20 0 FHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 ZINC000430041420 942695976 /nfs/dbraw/zinc/69/59/76/942695976.db2.gz VHGCNAYPVLMVGF-UHFFFAOYSA-N 2 1 356.514 3.523 20 0 FHADMP C[NH+](C)Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c1 ZINC000425084876 942700142 /nfs/dbraw/zinc/70/01/42/942700142.db2.gz RQQOZEMSNIWRGM-UHFFFAOYSA-N 2 1 372.538 3.614 20 0 FHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000502750789 942717491 /nfs/dbraw/zinc/71/74/91/942717491.db2.gz YBOWQJBTXFUHRT-OTWHNJEPSA-N 2 1 374.573 3.678 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000434590667 942772966 /nfs/dbraw/zinc/77/29/66/942772966.db2.gz BLMTZVIPBYCOJH-UHFFFAOYSA-N 2 1 363.521 3.907 20 0 FHADMP C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000378522413 942849872 /nfs/dbraw/zinc/84/98/72/942849872.db2.gz SLRLIJVBAMNHEQ-WMZOPIPTSA-N 2 1 374.573 3.586 20 0 FHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000514238523 942853090 /nfs/dbraw/zinc/85/30/90/942853090.db2.gz FMOHEILXSCAQBL-YUVXSKOASA-N 2 1 360.542 3.666 20 0 FHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000421847453 942858554 /nfs/dbraw/zinc/85/85/54/942858554.db2.gz XMHKCWDEIWRHCZ-KYNGSXCRSA-N 2 1 366.933 3.767 20 0 FHADMP COc1ccc(OC)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434690240 942867232 /nfs/dbraw/zinc/86/72/32/942867232.db2.gz FONBTITUDXBJLV-UHFFFAOYSA-N 2 1 355.482 3.616 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000509977324 942887272 /nfs/dbraw/zinc/88/72/72/942887272.db2.gz NAPZDHKQZXVSJW-UHFFFAOYSA-N 2 1 352.265 3.954 20 0 FHADMP C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378569167 942901955 /nfs/dbraw/zinc/90/19/55/942901955.db2.gz PQBFSIWDCPLLSK-DFQSSKMNSA-N 2 1 363.505 3.613 20 0 FHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000582050939 942916136 /nfs/dbraw/zinc/91/61/36/942916136.db2.gz QVDJKTDFGIIZSF-KXBFYZLASA-N 2 1 370.522 3.556 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000430110459 942922459 /nfs/dbraw/zinc/92/24/59/942922459.db2.gz YRLXEDRVFAYFEP-VQTJNVASSA-N 2 1 363.496 3.696 20 0 FHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)oc1C ZINC000503044894 942937049 /nfs/dbraw/zinc/93/70/49/942937049.db2.gz OMAFTRWFSFLESI-RTWAWAEBSA-N 2 1 353.510 3.897 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072206 942956386 /nfs/dbraw/zinc/95/63/86/942956386.db2.gz ATSCMMIBDQVXOV-JOCHJYFZSA-N 2 1 352.522 3.945 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072206 942956390 /nfs/dbraw/zinc/95/63/90/942956390.db2.gz ATSCMMIBDQVXOV-JOCHJYFZSA-N 2 1 352.522 3.945 20 0 FHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072206 942956394 /nfs/dbraw/zinc/95/63/94/942956394.db2.gz ATSCMMIBDQVXOV-JOCHJYFZSA-N 2 1 352.522 3.945 20 0 FHADMP CN(c1ccccc1)c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cn1 ZINC000414858066 943035771 /nfs/dbraw/zinc/03/57/71/943035771.db2.gz HQTGWWSVMPNVEE-UHFFFAOYSA-N 2 1 361.493 3.514 20 0 FHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271839514 943058454 /nfs/dbraw/zinc/05/84/54/943058454.db2.gz YFKIMQVWKVKAIB-KRWDZBQOSA-N 2 1 350.466 3.906 20 0 FHADMP CCOc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)oc21 ZINC000271870412 943063342 /nfs/dbraw/zinc/06/33/42/943063342.db2.gz MOCHOVTWMZSUIC-KFKAGJAMSA-N 2 1 372.509 3.860 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000272178629 943106884 /nfs/dbraw/zinc/10/68/84/943106884.db2.gz LCRLJHOQRKPYMJ-SFHVURJKSA-N 2 1 359.558 3.719 20 0 FHADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655592 943111511 /nfs/dbraw/zinc/11/15/11/943111511.db2.gz DIBXEDFIUQTNRA-QUCCMNQESA-N 2 1 360.505 3.768 20 0 FHADMP CC[N@@H+](CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1)CC1CC1 ZINC000503314917 943119872 /nfs/dbraw/zinc/11/98/72/943119872.db2.gz OZYKIAJEWNYSGF-NRFANRHFSA-N 2 1 363.590 3.612 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1)CC1CC1 ZINC000503314917 943119878 /nfs/dbraw/zinc/11/98/78/943119878.db2.gz OZYKIAJEWNYSGF-NRFANRHFSA-N 2 1 363.590 3.612 20 0 FHADMP CC[NH+](CCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1)CC1CC1 ZINC000503314917 943119883 /nfs/dbraw/zinc/11/98/83/943119883.db2.gz OZYKIAJEWNYSGF-NRFANRHFSA-N 2 1 363.590 3.612 20 0 FHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000414658712 943125196 /nfs/dbraw/zinc/12/51/96/943125196.db2.gz RHLOFGUQULPCIA-GFCCVEGCSA-N 2 1 351.313 3.958 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414666684 943160553 /nfs/dbraw/zinc/16/05/53/943160553.db2.gz XAPGUSCSMPULTO-GOSISDBHSA-N 2 1 350.457 3.573 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414666684 943160558 /nfs/dbraw/zinc/16/05/58/943160558.db2.gz XAPGUSCSMPULTO-GOSISDBHSA-N 2 1 350.457 3.573 20 0 FHADMP Fc1ccc2oc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)nc2c1 ZINC000503432887 943180510 /nfs/dbraw/zinc/18/05/10/943180510.db2.gz AUTGRRSQFVAZOE-AWEZNQCLSA-N 2 1 354.429 3.879 20 0 FHADMP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(C)c1OCc1ccccn1 ZINC000422564868 943183963 /nfs/dbraw/zinc/18/39/63/943183963.db2.gz WVXGQMDWIFXEEM-UHFFFAOYSA-N 2 1 351.494 3.605 20 0 FHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000414672491 943191084 /nfs/dbraw/zinc/19/10/84/943191084.db2.gz PNHWTENFKVMYAI-DBVUQKKJSA-N 2 1 362.477 3.610 20 0 FHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674908 943200355 /nfs/dbraw/zinc/20/03/55/943200355.db2.gz SJPYTFYPDHVPQZ-CWFSZBLJSA-N 2 1 358.917 3.702 20 0 FHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837034 943230367 /nfs/dbraw/zinc/23/03/67/943230367.db2.gz IHQNAHBLHGQHEM-PXNSSMCTSA-N 2 1 370.566 3.612 20 0 FHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272837034 943230370 /nfs/dbraw/zinc/23/03/70/943230370.db2.gz IHQNAHBLHGQHEM-PXNSSMCTSA-N 2 1 370.566 3.612 20 0 FHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422699333 943237925 /nfs/dbraw/zinc/23/79/25/943237925.db2.gz AKICCFXVIXIGAF-DLBZAZTESA-N 2 1 371.481 3.641 20 0 FHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000416968043 943255377 /nfs/dbraw/zinc/25/53/77/943255377.db2.gz IERWXIHTJWVRSM-KRWDZBQOSA-N 2 1 368.525 3.546 20 0 FHADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422716332 943255898 /nfs/dbraw/zinc/25/58/98/943255898.db2.gz UGMFFAMFYJGLJM-UXHICEINSA-N 2 1 355.457 3.828 20 0 FHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422748862 943270707 /nfs/dbraw/zinc/27/07/07/943270707.db2.gz WNTGUGRJUZRHPA-SJLPKXTDSA-N 2 1 352.526 3.725 20 0 FHADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000422775179 943278248 /nfs/dbraw/zinc/27/82/48/943278248.db2.gz AMAOZEUCCMRDMX-YWZLYKJASA-N 2 1 362.901 3.782 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422804756 943289143 /nfs/dbraw/zinc/28/91/43/943289143.db2.gz LCWSVOHHWRNOTA-KSSFIOAISA-N 2 1 352.400 3.676 20 0 FHADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422850789 943305566 /nfs/dbraw/zinc/30/55/66/943305566.db2.gz DSUQGNWLTDCVLV-DYXWJJEUSA-N 2 1 360.542 3.811 20 0 FHADMP Clc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422843424 943312303 /nfs/dbraw/zinc/31/23/03/943312303.db2.gz IFPGVYIJFUAHTQ-NCYKPQTJSA-N 2 1 361.961 3.987 20 0 FHADMP Clc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422843421 943312384 /nfs/dbraw/zinc/31/23/84/943312384.db2.gz IFPGVYIJFUAHTQ-BQJUDKOJSA-N 2 1 361.961 3.987 20 0 FHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422873799 943322991 /nfs/dbraw/zinc/32/29/91/943322991.db2.gz BBGIPHKCWANIFS-RDTXWAMCSA-N 2 1 352.400 3.676 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)[C@H]1CCC[NH2+]1 ZINC000422903646 943325737 /nfs/dbraw/zinc/32/57/37/943325737.db2.gz FXRXNQHVFPJZQM-WZONZLPQSA-N 2 1 360.505 3.829 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414702362 943325827 /nfs/dbraw/zinc/32/58/27/943325827.db2.gz BBHSNZGCYDGELT-MJGOQNOKSA-N 2 1 370.541 3.524 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422905702 943326752 /nfs/dbraw/zinc/32/67/52/943326752.db2.gz ITGVMIDSXJRJHH-AQZBRGQLSA-N 2 1 363.549 3.730 20 0 FHADMP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414704185 943332842 /nfs/dbraw/zinc/33/28/42/943332842.db2.gz CVLFRBRRDJWGKK-IBGZPJMESA-N 2 1 358.530 3.667 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000414707261 943342660 /nfs/dbraw/zinc/34/26/60/943342660.db2.gz HLRHGXUWFMKGDP-PKOBYXMFSA-N 2 1 370.541 3.524 20 0 FHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422951501 943347616 /nfs/dbraw/zinc/34/76/16/943347616.db2.gz YUQVFUAKQWNXCZ-KSSFIOAISA-N 2 1 352.400 3.632 20 0 FHADMP C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000414709476 943354803 /nfs/dbraw/zinc/35/48/03/943354803.db2.gz JZJAROZSANBOKK-IEBWSBKVSA-N 2 1 372.557 3.900 20 0 FHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435374234 943356096 /nfs/dbraw/zinc/35/60/96/943356096.db2.gz XAFOIUMMWVZLJP-KBXCAEBGSA-N 2 1 360.933 3.761 20 0 FHADMP CC[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000435370313 943363911 /nfs/dbraw/zinc/36/39/11/943363911.db2.gz ICWDNAQWJXYLEI-UHFFFAOYSA-N 2 1 359.539 3.852 20 0 FHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371588 943364591 /nfs/dbraw/zinc/36/45/91/943364591.db2.gz NSCAAHZVWODVSJ-PKOBYXMFSA-N 2 1 352.526 3.784 20 0 FHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435385503 943372770 /nfs/dbraw/zinc/37/27/70/943372770.db2.gz RZEFUHPWAIHHSR-MRXNPFEDSA-N 2 1 352.507 3.642 20 0 FHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435385503 943372777 /nfs/dbraw/zinc/37/27/77/943372777.db2.gz RZEFUHPWAIHHSR-MRXNPFEDSA-N 2 1 352.507 3.642 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435391252 943378143 /nfs/dbraw/zinc/37/81/43/943378143.db2.gz DQFCFBXBHZQQBP-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435391252 943378148 /nfs/dbraw/zinc/37/81/48/943378148.db2.gz DQFCFBXBHZQQBP-FQEVSTJZSA-N 2 1 354.494 3.706 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423096530 943392914 /nfs/dbraw/zinc/39/29/14/943392914.db2.gz PDTXJFDCBDJDNA-XKCSPQBFSA-N 2 1 369.553 3.629 20 0 FHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000423096530 943392921 /nfs/dbraw/zinc/39/29/21/943392921.db2.gz PDTXJFDCBDJDNA-XKCSPQBFSA-N 2 1 369.553 3.629 20 0 FHADMP COc1cc(F)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000514944742 943395803 /nfs/dbraw/zinc/39/58/03/943395803.db2.gz PPBSEPMJLKYHBG-AEFFLSMTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cc(F)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000514944742 943395810 /nfs/dbraw/zinc/39/58/10/943395810.db2.gz PPBSEPMJLKYHBG-AEFFLSMTSA-N 2 1 372.484 3.843 20 0 FHADMP COc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1OC ZINC000435433646 943396927 /nfs/dbraw/zinc/39/69/27/943396927.db2.gz TWDPRJYJNOSCBM-LJQANCHMSA-N 2 1 372.534 3.910 20 0 FHADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104755 943401673 /nfs/dbraw/zinc/40/16/73/943401673.db2.gz MQAVCZREWWABFC-RJGXRXQPSA-N 2 1 371.569 3.560 20 0 FHADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000503885222 943402748 /nfs/dbraw/zinc/40/27/48/943402748.db2.gz KPKDSWMFKBEERW-NTZUZEMLSA-N 2 1 350.453 3.647 20 0 FHADMP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112833 943405828 /nfs/dbraw/zinc/40/58/28/943405828.db2.gz YCFCOJWUCYUUFK-XLIONFOSSA-N 2 1 358.482 3.893 20 0 FHADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423148687 943408637 /nfs/dbraw/zinc/40/86/37/943408637.db2.gz WHYGDEOITPIBIR-KFKAGJAMSA-N 2 1 358.917 3.926 20 0 FHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414719741 943418343 /nfs/dbraw/zinc/41/83/43/943418343.db2.gz ZMOLTWROBAUBIW-JOCHJYFZSA-N 2 1 370.541 3.668 20 0 FHADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000423167796 943424487 /nfs/dbraw/zinc/42/44/87/943424487.db2.gz XFPOUZBSJVMSNM-ZOCZFRKYSA-N 2 1 374.406 3.937 20 0 FHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423209233 943432024 /nfs/dbraw/zinc/43/20/24/943432024.db2.gz IPBFUQAZRXGZBB-CXAGYDPISA-N 2 1 355.320 3.744 20 0 FHADMP COc1ccc2oc([C@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)c(C)c2c1 ZINC000423194035 943438044 /nfs/dbraw/zinc/43/80/44/943438044.db2.gz YBYMJQCXFPGHGS-INIZCTEOSA-N 2 1 353.466 3.975 20 0 FHADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423286405 943464901 /nfs/dbraw/zinc/46/49/01/943464901.db2.gz GZYOMDPVAJAIMM-RDJZCZTQSA-N 2 1 352.494 3.942 20 0 FHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423306741 943470856 /nfs/dbraw/zinc/47/08/56/943470856.db2.gz UPPRHSRKODUVJX-SNVBAGLBSA-N 2 1 366.328 3.751 20 0 FHADMP C[C@H](CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000515052901 943477101 /nfs/dbraw/zinc/47/71/01/943477101.db2.gz OBGBDMDVMCXVIU-NRSPTQNISA-N 2 1 354.542 3.947 20 0 FHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000423327900 943481408 /nfs/dbraw/zinc/48/14/08/943481408.db2.gz KPFTZOXQRQMENB-NKRSRWBGSA-N 2 1 365.521 3.852 20 0 FHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066347 943484399 /nfs/dbraw/zinc/48/43/99/943484399.db2.gz OXSICUYSHQHPRE-AKIFATBCSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000515066347 943484402 /nfs/dbraw/zinc/48/44/02/943484402.db2.gz OXSICUYSHQHPRE-AKIFATBCSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515066347 943484404 /nfs/dbraw/zinc/48/44/04/943484404.db2.gz OXSICUYSHQHPRE-AKIFATBCSA-N 2 1 355.570 3.847 20 0 FHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423385155 943498274 /nfs/dbraw/zinc/49/82/74/943498274.db2.gz GKHZNMPEAAVLKV-NRUUGDAUSA-N 2 1 350.356 3.538 20 0 FHADMP C[N@H+]1CCC[C@@H](CNCc2c[nH]cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281448 943508083 /nfs/dbraw/zinc/50/80/83/943508083.db2.gz UUCVOCIODGNVCA-YOEHRIQHSA-N 2 1 352.404 3.601 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417326975 943511101 /nfs/dbraw/zinc/51/11/01/943511101.db2.gz RUVUEXHQSOAIPO-LSTHTHJFSA-N 2 1 356.535 3.862 20 0 FHADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743361 943514213 /nfs/dbraw/zinc/51/42/13/943514213.db2.gz ITBOGRKRXCUVIQ-MSOLQXFVSA-N 2 1 365.521 3.563 20 0 FHADMP CC[N@@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435616889 943517061 /nfs/dbraw/zinc/51/70/61/943517061.db2.gz MFKRPMDDGKAVRQ-KRWDZBQOSA-N 2 1 362.315 3.961 20 0 FHADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146469 943523645 /nfs/dbraw/zinc/52/36/45/943523645.db2.gz SEXDDLSVXXIMHD-HYFFOGBASA-N 2 1 351.494 3.658 20 0 FHADMP CC(C)COc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423502513 943530117 /nfs/dbraw/zinc/53/01/17/943530117.db2.gz FCEGKURVUBWYDM-PELRDEGISA-N 2 1 359.558 3.588 20 0 FHADMP Clc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)cc1 ZINC000423501194 943530306 /nfs/dbraw/zinc/53/03/06/943530306.db2.gz AZQGKQNJRGSYHZ-XVAXZDLZSA-N 2 1 361.961 3.987 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000423506412 943531678 /nfs/dbraw/zinc/53/16/78/943531678.db2.gz IVFINUFYMSHKCP-WDGBRCNXSA-N 2 1 364.537 3.616 20 0 FHADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1F ZINC000423507860 943531816 /nfs/dbraw/zinc/53/18/16/943531816.db2.gz JXPVWXURGNZWLZ-UHYCVJNDSA-N 2 1 367.940 3.982 20 0 FHADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423495328 943537084 /nfs/dbraw/zinc/53/70/84/943537084.db2.gz BSRNTSGSZWBQEV-AVCGJXAMSA-N 2 1 351.538 3.749 20 0 FHADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414748533 943539990 /nfs/dbraw/zinc/53/99/90/943539990.db2.gz IQWNOHWRYGSNAK-FQEVSTJZSA-N 2 1 354.494 3.848 20 0 FHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000423509024 943540598 /nfs/dbraw/zinc/54/05/98/943540598.db2.gz LCTXMEFCAQWKAO-RWBZWWBESA-N 2 1 355.448 3.572 20 0 FHADMP Cc1ccccc1NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681543 943542328 /nfs/dbraw/zinc/54/23/28/943542328.db2.gz KPZGAKYXKDKOAM-IBGZPJMESA-N 2 1 369.534 3.639 20 0 FHADMP Cc1ccccc1NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681543 943542331 /nfs/dbraw/zinc/54/23/31/943542331.db2.gz KPZGAKYXKDKOAM-IBGZPJMESA-N 2 1 369.534 3.639 20 0 FHADMP COc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc12 ZINC000423519570 943543991 /nfs/dbraw/zinc/54/39/91/943543991.db2.gz QATRWUWUMVEVDF-LMDPOFIKSA-N 2 1 367.537 3.715 20 0 FHADMP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423519778 943544179 /nfs/dbraw/zinc/54/41/79/943544179.db2.gz DPQOPBBOGVEXSY-NUDGRNCOSA-N 2 1 367.581 3.640 20 0 FHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423524300 943546558 /nfs/dbraw/zinc/54/65/58/943546558.db2.gz WXXNQYUWUHUROT-TVPLGVNVSA-N 2 1 367.484 3.545 20 0 FHADMP CC[N@H+](C)[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000504230551 943548237 /nfs/dbraw/zinc/54/82/37/943548237.db2.gz UCKHCVDXXIHFTD-LJQANCHMSA-N 2 1 350.466 3.839 20 0 FHADMP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000504230551 943548241 /nfs/dbraw/zinc/54/82/41/943548241.db2.gz UCKHCVDXXIHFTD-LJQANCHMSA-N 2 1 350.466 3.839 20 0 FHADMP CC(C)C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423561042 943549482 /nfs/dbraw/zinc/54/94/82/943549482.db2.gz JWVTUAQVTJCPAN-QFIPXVFZSA-N 2 1 366.553 3.752 20 0 FHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@@H]3C2)cc1 ZINC000423540990 943552058 /nfs/dbraw/zinc/55/20/58/943552058.db2.gz KIPNJGPAXQTHOE-DAMRUUDFSA-N 3 1 367.581 3.655 20 0 FHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000423566541 943558678 /nfs/dbraw/zinc/55/86/78/943558678.db2.gz MBEMLWKBVBUSMV-LJQANCHMSA-N 2 1 374.532 3.879 20 0 FHADMP Cn1ccnc1C[N@@H+](CCCc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693520 943560976 /nfs/dbraw/zinc/56/09/76/943560976.db2.gz MKFOBQQXKJHHBV-IBGZPJMESA-N 2 1 372.944 3.650 20 0 FHADMP CC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423574357 943561044 /nfs/dbraw/zinc/56/10/44/943561044.db2.gz PIYQEGCMAYKGJV-OAQYLSRUSA-N 2 1 373.491 3.999 20 0 FHADMP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000423577907 943561567 /nfs/dbraw/zinc/56/15/67/943561567.db2.gz SZNLVYKZHWWGBQ-INIZCTEOSA-N 2 1 359.464 3.609 20 0 FHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000664374351 943692039 /nfs/dbraw/zinc/69/20/39/943692039.db2.gz WIQSPEMNWJWCLZ-MRXNPFEDSA-N 2 1 371.529 3.661 20 0 FHADMP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374351 943692042 /nfs/dbraw/zinc/69/20/42/943692042.db2.gz WIQSPEMNWJWCLZ-MRXNPFEDSA-N 2 1 371.529 3.661 20 0 FHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374351 943692046 /nfs/dbraw/zinc/69/20/46/943692046.db2.gz WIQSPEMNWJWCLZ-MRXNPFEDSA-N 2 1 371.529 3.661 20 0 FHADMP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414771254 943694718 /nfs/dbraw/zinc/69/47/18/943694718.db2.gz QSGOZSXKPCENFD-IYBDPMFKSA-N 2 1 352.906 3.569 20 0 FHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCn1cccn1 ZINC000584827617 943717000 /nfs/dbraw/zinc/71/70/00/943717000.db2.gz UFWPRTQNPPYLSR-NRFANRHFSA-N 2 1 354.542 3.944 20 0 FHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCCn1cccn1 ZINC000584827617 943717003 /nfs/dbraw/zinc/71/70/03/943717003.db2.gz UFWPRTQNPPYLSR-NRFANRHFSA-N 2 1 354.542 3.944 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424134850 943746965 /nfs/dbraw/zinc/74/69/65/943746965.db2.gz ODNUPRXKECTJDI-AZUAARDMSA-N 2 1 351.579 3.835 20 0 FHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1C ZINC000515300547 943784566 /nfs/dbraw/zinc/78/45/66/943784566.db2.gz IBTQGWQGXNYIBJ-FQEVSTJZSA-N 2 1 352.526 3.807 20 0 FHADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1C ZINC000515300547 943784572 /nfs/dbraw/zinc/78/45/72/943784572.db2.gz IBTQGWQGXNYIBJ-FQEVSTJZSA-N 2 1 352.526 3.807 20 0 FHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)Cc2cccs2)CC1 ZINC000506050659 943813331 /nfs/dbraw/zinc/81/33/31/943813331.db2.gz DFTFGIKCYYNQML-UHFFFAOYSA-N 2 1 373.566 3.539 20 0 FHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000424266539 943813976 /nfs/dbraw/zinc/81/39/76/943813976.db2.gz WXAKDSMVGPNPPG-HXMRDFBYSA-N 2 1 372.553 3.589 20 0 FHADMP C[C@H]1CC2(C[N@H+]1Cc1cn3cc(Cl)cc(Cl)c3n1)CC[NH2+]CC2 ZINC000424290406 943821138 /nfs/dbraw/zinc/82/11/38/943821138.db2.gz MMMVHFDMMITPDZ-LBPRGKRZSA-N 2 1 353.297 3.605 20 0 FHADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cccc(OC(F)(F)F)c1 ZINC000424283969 943837115 /nfs/dbraw/zinc/83/71/15/943837115.db2.gz NRJYVHBOQFCHIQ-LBPRGKRZSA-N 2 1 369.387 3.891 20 0 FHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]2C1 ZINC000424322330 943843820 /nfs/dbraw/zinc/84/38/20/943843820.db2.gz VHNCQIGEKMWTGQ-VIJVGKABSA-N 2 1 354.538 3.975 20 0 FHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414781786 943853761 /nfs/dbraw/zinc/85/37/61/943853761.db2.gz CZJQYRAEWZFKGD-UHFFFAOYSA-N 2 1 364.468 3.828 20 0 FHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424374221 943885225 /nfs/dbraw/zinc/88/52/25/943885225.db2.gz HWBJDHWAWGKINT-CQSZACIVSA-N 2 1 374.479 3.731 20 0 FHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424388023 943895547 /nfs/dbraw/zinc/89/55/47/943895547.db2.gz YYERSURODYXDBA-CYBMUJFWSA-N 2 1 360.395 3.731 20 0 FHADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001207486013 943915722 /nfs/dbraw/zinc/91/57/22/943915722.db2.gz AYZNKZUKTMTRRC-QGZVFWFLSA-N 2 1 351.332 3.970 20 0 FHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000424430880 943924974 /nfs/dbraw/zinc/92/49/74/943924974.db2.gz DSWZSSHSDHAXKK-GOSISDBHSA-N 2 1 366.509 3.582 20 0 FHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414789398 943932116 /nfs/dbraw/zinc/93/21/16/943932116.db2.gz NWHPJZSYDWDQFY-UHFFFAOYSA-N 2 1 364.468 3.828 20 0 FHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CC12CCOCC2 ZINC000414789781 943934485 /nfs/dbraw/zinc/93/44/85/943934485.db2.gz OOMQNNVDQDQMCK-INIZCTEOSA-N 2 1 360.498 3.742 20 0 FHADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511643757 943979836 /nfs/dbraw/zinc/97/98/36/943979836.db2.gz FDRMCFTZBMMMEV-OTWHNJEPSA-N 2 1 357.542 3.915 20 0 FHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000500072831 944050150 /nfs/dbraw/zinc/05/01/50/944050150.db2.gz IKQCWKVIKPULAI-XMMPIXPASA-N 2 1 369.597 3.773 20 0 FHADMP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500087921 944081167 /nfs/dbraw/zinc/08/11/67/944081167.db2.gz HVJZVTGZCFIFEM-OAHLLOKOSA-N 2 1 358.448 3.588 20 0 FHADMP C[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500087921 944081175 /nfs/dbraw/zinc/08/11/75/944081175.db2.gz HVJZVTGZCFIFEM-OAHLLOKOSA-N 2 1 358.448 3.588 20 0 FHADMP C[N@H+](Cc1cccc2ccccc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711770979 944097336 /nfs/dbraw/zinc/09/73/36/944097336.db2.gz GZDUILCIXLHRQK-DEOSSOPVSA-N 2 1 360.501 3.909 20 0 FHADMP C[N@@H+](Cc1cccc2ccccc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711770979 944097341 /nfs/dbraw/zinc/09/73/41/944097341.db2.gz GZDUILCIXLHRQK-DEOSSOPVSA-N 2 1 360.501 3.909 20 0 FHADMP C[NH+](Cc1cccc2ccccc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711770979 944097346 /nfs/dbraw/zinc/09/73/46/944097346.db2.gz GZDUILCIXLHRQK-DEOSSOPVSA-N 2 1 360.501 3.909 20 0 FHADMP C[NH+](Cc1cccc2ccccc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711770979 944097349 /nfs/dbraw/zinc/09/73/49/944097349.db2.gz GZDUILCIXLHRQK-DEOSSOPVSA-N 2 1 360.501 3.909 20 0 FHADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414816499 944116622 /nfs/dbraw/zinc/11/66/22/944116622.db2.gz XHBXXKBEPOSPTQ-KZULUSFZSA-N 2 1 363.299 3.697 20 0 FHADMP CCC[C@@H](C)[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000517245536 944139029 /nfs/dbraw/zinc/13/90/29/944139029.db2.gz UHMWNSQAPVONJP-NQIIRXRSSA-N 2 1 363.590 3.610 20 0 FHADMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364249679 944154311 /nfs/dbraw/zinc/15/43/11/944154311.db2.gz HMJNACQWGKEKIW-PXNSSMCTSA-N 2 1 368.529 3.563 20 0 FHADMP CCCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000515756144 944184828 /nfs/dbraw/zinc/18/48/28/944184828.db2.gz NLLORXRCGFGELA-OALUTQOASA-N 2 1 359.558 3.703 20 0 FHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414916792 944198885 /nfs/dbraw/zinc/19/88/85/944198885.db2.gz QJVGLPBHZXJISS-SFHVURJKSA-N 2 1 369.513 3.709 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)C(C)C ZINC000101631992 944303765 /nfs/dbraw/zinc/30/37/65/944303765.db2.gz GWQZLPSLVPXZNM-UHFFFAOYSA-N 2 1 359.558 3.956 20 0 FHADMP C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F)C[NH+](C)C ZINC000425943055 944310764 /nfs/dbraw/zinc/31/07/64/944310764.db2.gz PMLQDVYWJJWFMG-GHMZBOCLSA-N 2 1 352.372 3.738 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000364322126 944320729 /nfs/dbraw/zinc/32/07/29/944320729.db2.gz DTBSZRDWJNUTMJ-CYBMUJFWSA-N 2 1 359.474 3.980 20 0 FHADMP CC(C)N(C(=O)[C@@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483935 944321900 /nfs/dbraw/zinc/32/19/00/944321900.db2.gz CXCDAOSXDLZCNV-VAMGGRTRSA-N 2 1 351.579 3.607 20 0 FHADMP Cc1nccn1CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835685 944334394 /nfs/dbraw/zinc/33/43/94/944334394.db2.gz GCUVJKMEOOODET-JOCHJYFZSA-N 2 1 366.553 3.814 20 0 FHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000120805209 944359228 /nfs/dbraw/zinc/35/92/28/944359228.db2.gz FGNYLSXEWFGQBU-INIZCTEOSA-N 2 1 359.901 3.745 20 0 FHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000120805209 944359234 /nfs/dbraw/zinc/35/92/34/944359234.db2.gz FGNYLSXEWFGQBU-INIZCTEOSA-N 2 1 359.901 3.745 20 0 FHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167977446 944413170 /nfs/dbraw/zinc/41/31/70/944413170.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167977446 944413173 /nfs/dbraw/zinc/41/31/73/944413173.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977446 944413177 /nfs/dbraw/zinc/41/31/77/944413177.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167977446 944413178 /nfs/dbraw/zinc/41/31/78/944413178.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 1 368.569 3.559 20 0 FHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977446 944413182 /nfs/dbraw/zinc/41/31/82/944413182.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 2 1 368.569 3.559 20 0 FHADMP COc1cccc2c1SC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167977834 944430107 /nfs/dbraw/zinc/43/01/07/944430107.db2.gz GCFJTDZIJYHTPP-HRVKUGKESA-N 2 1 358.551 3.707 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323835 944459330 /nfs/dbraw/zinc/45/93/30/944459330.db2.gz DGVONTGFGQKCKM-YOEHRIQHSA-N 2 1 351.332 3.801 20 0 FHADMP C1=CC[C@H](C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167982040 944493680 /nfs/dbraw/zinc/49/36/80/944493680.db2.gz UHIQDNKQFRKIJK-FNXHNPQUSA-N 2 1 357.586 3.802 20 0 FHADMP C[NH+](C)[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000517704756 944528026 /nfs/dbraw/zinc/52/80/26/944528026.db2.gz IMYWXCVKBDRZHQ-IBGZPJMESA-N 2 1 365.949 3.714 20 0 FHADMP C[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000517704756 944528032 /nfs/dbraw/zinc/52/80/32/944528032.db2.gz IMYWXCVKBDRZHQ-IBGZPJMESA-N 2 1 365.949 3.714 20 0 FHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CS2 ZINC001167982157 944528181 /nfs/dbraw/zinc/52/81/81/944528181.db2.gz YSCBLFCFHLKBKM-MSRNWOCLSA-N 2 1 358.551 3.707 20 0 FHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000398156364 944529393 /nfs/dbraw/zinc/52/93/93/944529393.db2.gz QUYWCLKWRYURLN-YSZBQJHXSA-N 2 1 350.506 3.801 20 0 FHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237845 944530950 /nfs/dbraw/zinc/53/09/50/944530950.db2.gz AATWFGFFONSTOC-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237845 944530952 /nfs/dbraw/zinc/53/09/52/944530952.db2.gz AATWFGFFONSTOC-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237845 944530956 /nfs/dbraw/zinc/53/09/56/944530956.db2.gz AATWFGFFONSTOC-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000550237845 944530960 /nfs/dbraw/zinc/53/09/60/944530960.db2.gz AATWFGFFONSTOC-QFIPXVFZSA-N 2 1 351.494 3.578 20 0 FHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425990324 944544913 /nfs/dbraw/zinc/54/49/13/944544913.db2.gz YNLUJCQVVKKYBE-BGYRXZFFSA-N 2 1 372.516 3.841 20 0 FHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425990324 944544916 /nfs/dbraw/zinc/54/49/16/944544916.db2.gz YNLUJCQVVKKYBE-BGYRXZFFSA-N 2 1 372.516 3.841 20 0 FHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425990324 944544920 /nfs/dbraw/zinc/54/49/20/944544920.db2.gz YNLUJCQVVKKYBE-BGYRXZFFSA-N 2 1 372.516 3.841 20 0 FHADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425990324 944544921 /nfs/dbraw/zinc/54/49/21/944544921.db2.gz YNLUJCQVVKKYBE-BGYRXZFFSA-N 2 1 372.516 3.841 20 0 FHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694500 944553319 /nfs/dbraw/zinc/55/33/19/944553319.db2.gz JTPZGUIUDIFJFY-RBDMOPTHSA-N 2 1 361.493 3.611 20 0 FHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262053874 944585166 /nfs/dbraw/zinc/58/51/66/944585166.db2.gz QMZBOISXFRGABN-UHFFFAOYSA-N 2 1 372.944 3.777 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@H]21 ZINC000516292860 944674902 /nfs/dbraw/zinc/67/49/02/944674902.db2.gz AAAPRSGDIZCZRZ-XRXFAXGQSA-N 2 1 374.488 3.885 20 0 FHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C[C@H]21 ZINC000516292860 944674904 /nfs/dbraw/zinc/67/49/04/944674904.db2.gz AAAPRSGDIZCZRZ-XRXFAXGQSA-N 2 1 374.488 3.885 20 0 FHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000162739488 944685897 /nfs/dbraw/zinc/68/58/97/944685897.db2.gz XHCIIEHHVRPLKQ-INIZCTEOSA-N 2 1 374.916 3.564 20 0 FHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660429195 944686263 /nfs/dbraw/zinc/68/62/63/944686263.db2.gz GUJZYLKUFMIGCT-GOSISDBHSA-N 2 1 373.541 3.518 20 0 FHADMP CCC(CC)(CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000426416093 944728976 /nfs/dbraw/zinc/72/89/76/944728976.db2.gz GNYMUCUHEXHREU-PXNSSMCTSA-N 2 1 357.542 3.639 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000516397493 944794740 /nfs/dbraw/zinc/79/47/40/944794740.db2.gz JRSXUCSNUORWLI-IBGZPJMESA-N 2 1 357.542 3.667 20 0 FHADMP Fc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167964872 944845832 /nfs/dbraw/zinc/84/58/32/944845832.db2.gz ZCWDPFWYNSHZDQ-NOTZXAQLSA-N 2 1 371.544 3.785 20 0 FHADMP Cn1ccnc1[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441673 944863831 /nfs/dbraw/zinc/86/38/31/944863831.db2.gz ACCLMNPLEAAIBJ-FPOVZHCZSA-N 2 1 352.526 3.763 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CSC)c2)[C@H](C)C1 ZINC000437070125 945003675 /nfs/dbraw/zinc/00/36/75/945003675.db2.gz ALVIHMUPKQSCOD-XLIONFOSSA-N 2 1 350.572 3.776 20 0 FHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427053849 945036246 /nfs/dbraw/zinc/03/62/46/945036246.db2.gz VCRLPLYQHGWINZ-NRFANRHFSA-N 2 1 371.569 3.770 20 0 FHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000660675412 945382209 /nfs/dbraw/zinc/38/22/09/945382209.db2.gz FACJTKSWDBOCGT-UHFFFAOYSA-N 2 1 371.912 3.923 20 0 FHADMP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1Cl ZINC001167968354 945599626 /nfs/dbraw/zinc/59/96/26/945599626.db2.gz QFIWNVBIXRTDPY-ALOPSCKCSA-N 2 1 362.901 3.622 20 0 FHADMP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1Cl ZINC001167968354 945599634 /nfs/dbraw/zinc/59/96/34/945599634.db2.gz QFIWNVBIXRTDPY-ALOPSCKCSA-N 2 1 362.901 3.622 20 0 FHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187808969 945601915 /nfs/dbraw/zinc/60/19/15/945601915.db2.gz BDAXAHNNOVHNDW-HSZRJFAPSA-N 2 1 374.569 3.982 20 0 FHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000549526169 945634803 /nfs/dbraw/zinc/63/48/03/945634803.db2.gz MSKRHBKZLRFLPI-CQSZACIVSA-N 2 1 360.299 3.919 20 0 FHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000549526168 945635296 /nfs/dbraw/zinc/63/52/96/945635296.db2.gz MSKRHBKZLRFLPI-AWEZNQCLSA-N 2 1 360.299 3.919 20 0 FHADMP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC000629701415 945663037 /nfs/dbraw/zinc/66/30/37/945663037.db2.gz BTACQJXESZLGQU-YLJYHZDGSA-N 2 1 352.522 3.756 20 0 FHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612727 945707661 /nfs/dbraw/zinc/70/76/61/945707661.db2.gz NSSRFXWKGADHDC-ZBFHGGJFSA-N 2 1 366.431 3.819 20 0 FHADMP CCc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[NH+](C)C)cc1 ZINC000110919222 945783999 /nfs/dbraw/zinc/78/39/99/945783999.db2.gz XIPNFUACOXBLHG-FGZHOGPDSA-N 2 1 367.537 3.661 20 0 FHADMP c1cc2[nH+]ccc(N3CCC([NH2+]CCOc4ccccc4)CC3)c2s1 ZINC000301536371 945834627 /nfs/dbraw/zinc/83/46/27/945834627.db2.gz LVDXRFOKVCWXKW-UHFFFAOYSA-N 2 1 353.491 3.934 20 0 FHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522847559 945995511 /nfs/dbraw/zinc/99/55/11/945995511.db2.gz ZWERCIQNUADNNV-SFHVURJKSA-N 2 1 366.509 3.632 20 0 FHADMP CCc1nc2sccc2c(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000301848504 946002512 /nfs/dbraw/zinc/00/25/12/946002512.db2.gz VKUSEFVLGODMQE-UHFFFAOYSA-N 2 1 373.570 3.616 20 0 FHADMP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3cc(Cl)ccc23)ccn1 ZINC000301882009 946019029 /nfs/dbraw/zinc/01/90/29/946019029.db2.gz MKHRRGPBOPBAIF-UHFFFAOYSA-N 2 1 356.857 3.836 20 0 FHADMP CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043489 946069895 /nfs/dbraw/zinc/06/98/95/946069895.db2.gz JNKRWSWBNMDAAU-HNNXBMFYSA-N 2 1 367.484 3.736 20 0 FHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043489 946069909 /nfs/dbraw/zinc/06/99/09/946069909.db2.gz JNKRWSWBNMDAAU-HNNXBMFYSA-N 2 1 367.484 3.736 20 0 FHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043489 946069922 /nfs/dbraw/zinc/06/99/22/946069922.db2.gz JNKRWSWBNMDAAU-HNNXBMFYSA-N 2 1 367.484 3.736 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000522893116 946073140 /nfs/dbraw/zinc/07/31/40/946073140.db2.gz HWVYHOMZMOPUGE-WIYYLYMNSA-N 2 1 357.542 3.552 20 0 FHADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000522893116 946073149 /nfs/dbraw/zinc/07/31/49/946073149.db2.gz HWVYHOMZMOPUGE-WIYYLYMNSA-N 2 1 357.542 3.552 20 0 FHADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661453287 946122720 /nfs/dbraw/zinc/12/27/20/946122720.db2.gz BNGWLOWSWTWTNM-BBTUJRGHSA-N 2 1 356.510 3.790 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168052936 946148759 /nfs/dbraw/zinc/14/87/59/946148759.db2.gz LRDMLXGSOGQEEW-KNKQGSTJSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168052936 946148762 /nfs/dbraw/zinc/14/87/62/946148762.db2.gz LRDMLXGSOGQEEW-KNKQGSTJSA-N 2 1 371.569 3.809 20 0 FHADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168052936 946148768 /nfs/dbraw/zinc/14/87/68/946148768.db2.gz LRDMLXGSOGQEEW-KNKQGSTJSA-N 2 1 371.569 3.809 20 0 FHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806585 946161789 /nfs/dbraw/zinc/16/17/89/946161789.db2.gz VSCBMNKQVCNLDO-GOSISDBHSA-N 2 1 373.541 3.610 20 0 FHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746607 946307047 /nfs/dbraw/zinc/30/70/47/946307047.db2.gz SIJASJQBESPWPL-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746607 946307054 /nfs/dbraw/zinc/30/70/54/946307054.db2.gz SIJASJQBESPWPL-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302746607 946307064 /nfs/dbraw/zinc/30/70/64/946307064.db2.gz SIJASJQBESPWPL-GUYCJALGSA-N 2 1 360.299 3.918 20 0 FHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccc(Cl)cc1 ZINC000441206531 946316083 /nfs/dbraw/zinc/31/60/83/946316083.db2.gz WWRIMLOMKDMIOO-BPQIPLTHSA-N 2 1 354.947 3.616 20 0 FHADMP CC(C)Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000893486621 946406557 /nfs/dbraw/zinc/40/65/57/946406557.db2.gz GQWFEVGFVMSXTL-QHCPKHFHSA-N 2 1 367.537 3.527 20 0 FHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000152436320 946413106 /nfs/dbraw/zinc/41/31/06/946413106.db2.gz RKASWRGOMMEFID-KSSFIOAISA-N 2 1 371.352 3.971 20 0 FHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1(C)C ZINC000441333537 946465233 /nfs/dbraw/zinc/46/52/33/946465233.db2.gz SWLSOBLKJTUYGI-UHFFFAOYSA-N 2 1 369.578 3.953 20 0 FHADMP COc1ccc(-c2csc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000655718198 946512717 /nfs/dbraw/zinc/51/27/17/946512717.db2.gz GLRFVWXIUOZEKM-IBGZPJMESA-N 2 1 372.534 3.767 20 0 FHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)ccc3Cl)CC2)CC1 ZINC000520425468 946577381 /nfs/dbraw/zinc/57/73/81/946577381.db2.gz XEMDLYZZCIYJCX-UHFFFAOYSA-N 2 1 363.933 3.783 20 0 FHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475517994 946578348 /nfs/dbraw/zinc/57/83/48/946578348.db2.gz WWLQRHJVZGEUMU-SVMVAKDDSA-N 2 1 369.553 3.550 20 0 FHADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1Cl ZINC000655719389 946616884 /nfs/dbraw/zinc/61/68/84/946616884.db2.gz SEXACOIAYMRPML-MSOLQXFVSA-N 2 1 366.933 3.730 20 0 FHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000536266574 946663176 /nfs/dbraw/zinc/66/31/76/946663176.db2.gz HVYXXVYLSXIDFU-QGZVFWFLSA-N 2 1 367.331 3.529 20 0 FHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnccc2C)CC1 ZINC000475564143 946675285 /nfs/dbraw/zinc/67/52/85/946675285.db2.gz LXHXWTBYLGQFSD-UHFFFAOYSA-N 2 1 352.526 3.554 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC000639758057 946729910 /nfs/dbraw/zinc/72/99/10/946729910.db2.gz PBKJSZIZTPWRPK-MRXNPFEDSA-N 2 1 363.933 3.702 20 0 FHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC000639758057 946729905 /nfs/dbraw/zinc/72/99/05/946729905.db2.gz PBKJSZIZTPWRPK-MRXNPFEDSA-N 2 1 363.933 3.702 20 0 FHADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000475225877 946735428 /nfs/dbraw/zinc/73/54/28/946735428.db2.gz VLHLBQYDGVZYRD-PZJWPPBQSA-N 2 1 350.506 3.664 20 0 FHADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000188445542 946829213 /nfs/dbraw/zinc/82/92/13/946829213.db2.gz ACWHCFOZQJLMGZ-DYESRHJHSA-N 2 1 356.485 3.503 20 0 FHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000444454599 946885217 /nfs/dbraw/zinc/88/52/17/946885217.db2.gz OZDBCMUJSIRWJS-LAUBAEHRSA-N 2 1 368.525 3.868 20 0 FHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OCC)[C@H](C)C1 ZINC000537941531 946885295 /nfs/dbraw/zinc/88/52/95/946885295.db2.gz USINCLLZAKZCQJ-APWZRJJASA-N 2 1 368.949 3.965 20 0 FHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OCC)[C@H](C)C1 ZINC000537941531 946885302 /nfs/dbraw/zinc/88/53/02/946885302.db2.gz USINCLLZAKZCQJ-APWZRJJASA-N 2 1 368.949 3.965 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CC[NH3+] ZINC000652353719 946903642 /nfs/dbraw/zinc/90/36/42/946903642.db2.gz AQDAMXXMPVGQIR-DYESRHJHSA-N 2 1 351.494 3.888 20 0 FHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000164621786 946912409 /nfs/dbraw/zinc/91/24/09/946912409.db2.gz XCNQXYDLPIGXBY-HNNXBMFYSA-N 2 1 355.461 3.956 20 0 FHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360704 946928501 /nfs/dbraw/zinc/92/85/01/946928501.db2.gz OGUJMXUNENAKCN-COXVUDFISA-N 2 1 373.324 3.733 20 0 FHADMP C[C@H]1CC(N2CC[N@@H+](C)CC23CCCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064006 947030351 /nfs/dbraw/zinc/03/03/51/947030351.db2.gz GUSPQQNDGWPTDD-PMACEKPBSA-N 2 1 355.570 3.988 20 0 FHADMP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000665629603 947097464 /nfs/dbraw/zinc/09/74/64/947097464.db2.gz NCPODISZPJWXTP-LJQANCHMSA-N 2 1 369.513 3.661 20 0 FHADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000665629603 947097477 /nfs/dbraw/zinc/09/74/77/947097477.db2.gz NCPODISZPJWXTP-LJQANCHMSA-N 2 1 369.513 3.661 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650226 947101527 /nfs/dbraw/zinc/10/15/27/947101527.db2.gz DDJJQAIXLQVINN-RTBURBONSA-N 2 1 359.558 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650226 947101535 /nfs/dbraw/zinc/10/15/35/947101535.db2.gz DDJJQAIXLQVINN-RTBURBONSA-N 2 1 359.558 3.767 20 0 FHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650226 947101539 /nfs/dbraw/zinc/10/15/39/947101539.db2.gz DDJJQAIXLQVINN-RTBURBONSA-N 2 1 359.558 3.767 20 0 FHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192935088 947117051 /nfs/dbraw/zinc/11/70/51/947117051.db2.gz CLAUGCXYCWCWNN-YLJYHZDGSA-N 2 1 351.494 3.818 20 0 FHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192935062 947117200 /nfs/dbraw/zinc/11/72/00/947117200.db2.gz CLAUGCXYCWCWNN-XLIONFOSSA-N 2 1 351.494 3.818 20 0 FHADMP CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766021 947201682 /nfs/dbraw/zinc/20/16/82/947201682.db2.gz GGGCAUBDNDMZHU-CTNGQTDRSA-N 2 1 371.569 3.524 20 0 FHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000248529187 947290892 /nfs/dbraw/zinc/29/08/92/947290892.db2.gz WOJADXLAFPCNER-KGLIPLIRSA-N 2 1 355.320 3.926 20 0 FHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000248529187 947290896 /nfs/dbraw/zinc/29/08/96/947290896.db2.gz WOJADXLAFPCNER-KGLIPLIRSA-N 2 1 355.320 3.926 20 0 FHADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460355 947608648 /nfs/dbraw/zinc/60/86/48/947608648.db2.gz CWYRIAKPBHMOJL-BVYCBKJFSA-N 2 1 369.553 3.552 20 0 FHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460359 947609112 /nfs/dbraw/zinc/60/91/12/947609112.db2.gz DCBGUDKYTLCXLY-PZJWPPBQSA-N 2 1 374.569 3.532 20 0 FHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441460359 947609120 /nfs/dbraw/zinc/60/91/20/947609120.db2.gz DCBGUDKYTLCXLY-PZJWPPBQSA-N 2 1 374.569 3.532 20 0 FHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189184849 947656883 /nfs/dbraw/zinc/65/68/83/947656883.db2.gz ABPJIKQRBALOCZ-MRXNPFEDSA-N 2 1 364.839 3.685 20 0 FHADMP c1ccc(CCCO[C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662259289 947679758 /nfs/dbraw/zinc/67/97/58/947679758.db2.gz UNUWCBSRUQJIAG-JOCHJYFZSA-N 2 1 350.506 3.556 20 0 FHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264083 947682551 /nfs/dbraw/zinc/68/25/51/947682551.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 2 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264083 947682556 /nfs/dbraw/zinc/68/25/56/947682556.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 2 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264083 947682565 /nfs/dbraw/zinc/68/25/65/947682565.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 2 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662264083 947682570 /nfs/dbraw/zinc/68/25/70/947682570.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 3 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662264083 947682582 /nfs/dbraw/zinc/68/25/82/947682582.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 3 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264083 947682589 /nfs/dbraw/zinc/68/25/89/947682589.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 3 1 363.549 3.817 20 0 FHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1Cc1ccccc1 ZINC000662264083 947682595 /nfs/dbraw/zinc/68/25/95/947682595.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 3 1 363.549 3.817 20 0 FHADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274752 947698473 /nfs/dbraw/zinc/69/84/73/947698473.db2.gz WROCSANSXBNTON-ROUUACIJSA-N 2 1 355.482 3.562 20 0 FHADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291708 947713831 /nfs/dbraw/zinc/71/38/31/947713831.db2.gz XWUKVEJQZOWOPR-DZGCQCFKSA-N 2 1 367.896 3.518 20 0 FHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189427292 947715387 /nfs/dbraw/zinc/71/53/87/947715387.db2.gz MOXWLGXGRNWXOS-IBGZPJMESA-N 2 1 362.876 3.726 20 0 FHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189427292 947715402 /nfs/dbraw/zinc/71/54/02/947715402.db2.gz MOXWLGXGRNWXOS-IBGZPJMESA-N 2 1 362.876 3.726 20 0 FHADMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294082 947716167 /nfs/dbraw/zinc/71/61/67/947716167.db2.gz OWGMXOVWCGXXFH-YJBOKZPZSA-N 2 1 370.497 3.518 20 0 FHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294024 947716191 /nfs/dbraw/zinc/71/61/91/947716191.db2.gz AEVSJKUWFJASEU-HKUYNNGSSA-N 2 1 357.542 3.849 20 0 FHADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)cc1 ZINC000662293696 947716425 /nfs/dbraw/zinc/71/64/25/947716425.db2.gz MEAWSGFWXLRUIL-JOCHJYFZSA-N 2 1 365.521 3.872 20 0 FHADMP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294079 947716674 /nfs/dbraw/zinc/71/66/74/947716674.db2.gz OWGMXOVWCGXXFH-CRAIPNDOSA-N 2 1 370.497 3.518 20 0 FHADMP COCCC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000189398058 947725697 /nfs/dbraw/zinc/72/56/97/947725697.db2.gz DLHWSCMSANRTNO-QFIPXVFZSA-N 2 1 374.569 3.720 20 0 FHADMP Clc1ccc([C@H]2c3ccsc3CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310413 947736686 /nfs/dbraw/zinc/73/66/86/947736686.db2.gz KBWHRHKHSUVLHX-LPHOPBHVSA-N 2 1 374.937 3.870 20 0 FHADMP Clc1ccc([C@H]2c3ccsc3CC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662310413 947736688 /nfs/dbraw/zinc/73/66/88/947736688.db2.gz KBWHRHKHSUVLHX-LPHOPBHVSA-N 2 1 374.937 3.870 20 0 FHADMP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1CCC[NH3+] ZINC000662314072 947746713 /nfs/dbraw/zinc/74/67/13/947746713.db2.gz BPFBKARYMIZLLJ-RHSMWYFYSA-N 2 1 373.522 3.878 20 0 FHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)C1 ZINC000662386502 947777684 /nfs/dbraw/zinc/77/76/84/947777684.db2.gz BEIVUUSKXVSFOX-HNNXBMFYSA-N 2 1 369.534 3.878 20 0 FHADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807793 /nfs/dbraw/zinc/80/77/93/947807793.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807805 /nfs/dbraw/zinc/80/78/05/947807805.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(C[NH+]2CC[C@H](NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807815 /nfs/dbraw/zinc/80/78/15/947807815.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807825 /nfs/dbraw/zinc/80/78/25/947807825.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 2 1 367.581 3.895 20 0 FHADMP c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807835 /nfs/dbraw/zinc/80/78/35/947807835.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 2 1 367.581 3.895 20 0 FHADMP Fc1cc(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663344397 947811622 /nfs/dbraw/zinc/81/16/22/947811622.db2.gz SOVAWASORCVYHE-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Fc1cc(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663344397 947811628 /nfs/dbraw/zinc/81/16/28/947811628.db2.gz SOVAWASORCVYHE-CQSZACIVSA-N 2 1 355.295 3.800 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347302 947815860 /nfs/dbraw/zinc/81/58/60/947815860.db2.gz JMVQGERCCRHPFQ-QFIPXVFZSA-N 2 1 366.553 3.760 20 0 FHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347302 947815868 /nfs/dbraw/zinc/81/58/68/947815868.db2.gz JMVQGERCCRHPFQ-QFIPXVFZSA-N 2 1 366.553 3.760 20 0 FHADMP FC(F)(F)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663346618 947816212 /nfs/dbraw/zinc/81/62/12/947816212.db2.gz BDEGUBUCDLDECO-KRWDZBQOSA-N 2 1 356.432 3.839 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347245 947818491 /nfs/dbraw/zinc/81/84/91/947818491.db2.gz HWJBZBZFLYNFAE-OAHLLOKOSA-N 2 1 352.906 3.569 20 0 FHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)c1OC ZINC000663347245 947818501 /nfs/dbraw/zinc/81/85/01/947818501.db2.gz HWJBZBZFLYNFAE-OAHLLOKOSA-N 2 1 352.906 3.569 20 0 FHADMP Clc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663347634 947820874 /nfs/dbraw/zinc/82/08/74/947820874.db2.gz QWBZFTIJVZBODP-KRWDZBQOSA-N 2 1 358.917 3.737 20 0 FHADMP Clc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663347634 947820882 /nfs/dbraw/zinc/82/08/82/947820882.db2.gz QWBZFTIJVZBODP-KRWDZBQOSA-N 2 1 358.917 3.737 20 0 FHADMP CN(C(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360431 947849865 /nfs/dbraw/zinc/84/98/65/947849865.db2.gz WNFTXPDZRXBIMX-UTKZUKDTSA-N 2 1 371.550 3.774 20 0 FHADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663362985 947852130 /nfs/dbraw/zinc/85/21/30/947852130.db2.gz DLADWXKAFSJIMR-OAQYLSRUSA-N 2 1 352.526 3.915 20 0 FHADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000662510087 947878728 /nfs/dbraw/zinc/87/87/28/947878728.db2.gz COOMLAAEAJLZMN-NRFANRHFSA-N 2 1 371.569 3.512 20 0 FHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([S@@](C)=O)cc1 ZINC000165321698 947890297 /nfs/dbraw/zinc/89/02/97/947890297.db2.gz CIKNKKMBIKVCEM-FXABVQRQSA-N 2 1 370.562 3.639 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1)C(C)C ZINC000662598839 947924565 /nfs/dbraw/zinc/92/45/65/947924565.db2.gz ZNOMTKWGFNKLPF-QFIPXVFZSA-N 2 1 371.569 3.769 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000511976891 947933329 /nfs/dbraw/zinc/93/33/29/947933329.db2.gz JRRXHRZSCWQHHA-GOSISDBHSA-N 2 1 357.542 3.521 20 0 FHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663444032 948021995 /nfs/dbraw/zinc/02/19/95/948021995.db2.gz HWJKGUVLCOZPFI-OAHLLOKOSA-N 2 1 366.328 3.942 20 0 FHADMP O=C(NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)C1CCCCC1 ZINC001168001346 948063427 /nfs/dbraw/zinc/06/34/27/948063427.db2.gz ASHQVSHBMOHNOW-CBQGHPETSA-N 2 1 373.585 3.553 20 0 FHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469865 948064311 /nfs/dbraw/zinc/06/43/11/948064311.db2.gz RGKCXVAMOGKZIR-PXNSSMCTSA-N 2 1 352.526 3.953 20 0 FHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780567 948093461 /nfs/dbraw/zinc/09/34/61/948093461.db2.gz FTQDMDKWIXCOJY-WCQYABFASA-N 2 1 350.425 3.939 20 0 FHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000511997974 948140570 /nfs/dbraw/zinc/14/05/70/948140570.db2.gz FCSPPLFFTCLGRD-UHFFFAOYSA-N 2 1 359.558 3.769 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001167828137 948167682 /nfs/dbraw/zinc/16/76/82/948167682.db2.gz ZYRZRXVUJWFZBU-GOSISDBHSA-N 2 1 367.578 3.830 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001167833421 948224525 /nfs/dbraw/zinc/22/45/25/948224525.db2.gz BCDCIFMHZPFNSJ-BZSNNMDCSA-N 2 1 355.567 3.875 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624382 948256084 /nfs/dbraw/zinc/25/60/84/948256084.db2.gz JGATYKZOBMKTBM-SZOBAZRNSA-N 2 1 350.506 3.535 20 0 FHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624318 948261091 /nfs/dbraw/zinc/26/10/91/948261091.db2.gz IBELXZBXYGTZET-JMBSJVKXSA-N 2 1 364.533 3.925 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834924 948269423 /nfs/dbraw/zinc/26/94/23/948269423.db2.gz NWGNWJHBGRIDRQ-YLJYHZDGSA-N 2 1 355.567 3.734 20 0 FHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001167835694 948297591 /nfs/dbraw/zinc/29/75/91/948297591.db2.gz SXEVVAGPZNTFSM-CTNGQTDRSA-N 2 1 360.542 3.952 20 0 FHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001167836815 948308084 /nfs/dbraw/zinc/30/80/84/948308084.db2.gz HPXTUTHVFYEXKK-JBACZVJFSA-N 2 1 359.558 3.621 20 0 FHADMP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512050593 948308580 /nfs/dbraw/zinc/30/85/80/948308580.db2.gz DCTOUGGHBQPCKH-PKOBYXMFSA-N 2 1 359.539 3.993 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410818 948356268 /nfs/dbraw/zinc/35/62/68/948356268.db2.gz RYUFDUWRSVSNPS-MAUKXSAKSA-N 2 1 369.347 3.991 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410818 948356278 /nfs/dbraw/zinc/35/62/78/948356278.db2.gz RYUFDUWRSVSNPS-MAUKXSAKSA-N 2 1 369.347 3.991 20 0 FHADMP CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413598 948360545 /nfs/dbraw/zinc/36/05/45/948360545.db2.gz NEVUSAWBAATCBH-NVXWUHKLSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413598 948360552 /nfs/dbraw/zinc/36/05/52/948360552.db2.gz NEVUSAWBAATCBH-NVXWUHKLSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413598 948360561 /nfs/dbraw/zinc/36/05/61/948360561.db2.gz NEVUSAWBAATCBH-NVXWUHKLSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000432413598 948360571 /nfs/dbraw/zinc/36/05/71/948360571.db2.gz NEVUSAWBAATCBH-NVXWUHKLSA-N 2 1 356.457 3.830 20 0 FHADMP CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411353 948362916 /nfs/dbraw/zinc/36/29/16/948362916.db2.gz XMSRWMAQYLFQFV-CRAIPNDOSA-N 2 1 354.922 3.890 20 0 FHADMP CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411353 948362923 /nfs/dbraw/zinc/36/29/23/948362923.db2.gz XMSRWMAQYLFQFV-CRAIPNDOSA-N 2 1 354.922 3.890 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411353 948362931 /nfs/dbraw/zinc/36/29/31/948362931.db2.gz XMSRWMAQYLFQFV-CRAIPNDOSA-N 2 1 354.922 3.890 20 0 FHADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1OC ZINC000432411353 948362935 /nfs/dbraw/zinc/36/29/35/948362935.db2.gz XMSRWMAQYLFQFV-CRAIPNDOSA-N 2 1 354.922 3.890 20 0 FHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1)C(C)C ZINC000183270628 948367544 /nfs/dbraw/zinc/36/75/44/948367544.db2.gz KBOUTGIZDFXJAF-UHFFFAOYSA-N 2 1 355.482 3.507 20 0 FHADMP Cc1cnn(CCCCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278981583 948368439 /nfs/dbraw/zinc/36/84/39/948368439.db2.gz ZENNVZKFNKBSHK-UHFFFAOYSA-N 2 1 355.530 3.774 20 0 FHADMP c1ccc2c(c1)OCC21CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004706 948404715 /nfs/dbraw/zinc/40/47/15/948404715.db2.gz XVNCVODSJUYOSN-YOFSQIOKSA-N 2 1 352.522 3.818 20 0 FHADMP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512096598 948408257 /nfs/dbraw/zinc/40/82/57/948408257.db2.gz ZKKAQNYUTPIIBH-ZCNNSNEGSA-N 2 1 371.569 3.940 20 0 FHADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[NH+]1CCCC1 ZINC000512099158 948421071 /nfs/dbraw/zinc/42/10/71/948421071.db2.gz KEDDFBSSIKXZDP-HNNXBMFYSA-N 2 1 366.431 3.713 20 0 FHADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372509 948424647 /nfs/dbraw/zinc/42/46/47/948424647.db2.gz MTSXIWLSHLGSGN-GDBMZVCRSA-N 2 1 358.917 3.969 20 0 FHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000279055866 948439751 /nfs/dbraw/zinc/43/97/51/948439751.db2.gz YKVJXJWLRXHVJP-STQMWFEESA-N 2 1 364.287 3.567 20 0 FHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000520655021 948508471 /nfs/dbraw/zinc/50/84/71/948508471.db2.gz YNJCUNIYXBPCQI-MOPGFXCFSA-N 2 1 374.573 3.591 20 0 FHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000507792805 948532524 /nfs/dbraw/zinc/53/25/24/948532524.db2.gz IDOMNZDZBASBSP-XLIONFOSSA-N 2 1 358.505 3.893 20 0 FHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000507792805 948532530 /nfs/dbraw/zinc/53/25/30/948532530.db2.gz IDOMNZDZBASBSP-XLIONFOSSA-N 2 1 358.505 3.893 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000512183682 948717187 /nfs/dbraw/zinc/71/71/87/948717187.db2.gz VZXYSXJPIHVLED-NRFANRHFSA-N 2 1 352.526 3.816 20 0 FHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000512183682 948717195 /nfs/dbraw/zinc/71/71/95/948717195.db2.gz VZXYSXJPIHVLED-NRFANRHFSA-N 2 1 352.526 3.816 20 0 FHADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)[C@H](c2ccccc2)C1 ZINC000895116997 948729211 /nfs/dbraw/zinc/72/92/11/948729211.db2.gz YXBSKOFNOITJBK-ZBFHGGJFSA-N 2 1 369.456 3.683 20 0 FHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)[C@H](c2ccccc2)C1 ZINC000895116997 948729213 /nfs/dbraw/zinc/72/92/13/948729213.db2.gz YXBSKOFNOITJBK-ZBFHGGJFSA-N 2 1 369.456 3.683 20 0 FHADMP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162774583 948767400 /nfs/dbraw/zinc/76/74/00/948767400.db2.gz HBUJYAITEOLOHJ-INIZCTEOSA-N 2 1 357.498 3.863 20 0 FHADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104501 567964215 /nfs/dbraw/zinc/96/42/15/567964215.db2.gz XCRUKAUTFWWNRA-RTBURBONSA-N 2 1 360.542 3.978 20 0 FHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000563129531 568261481 /nfs/dbraw/zinc/26/14/81/568261481.db2.gz GHVWCRHTXJCFBT-UHFFFAOYSA-N 2 1 364.468 3.862 20 0 FHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000563129531 568261482 /nfs/dbraw/zinc/26/14/82/568261482.db2.gz GHVWCRHTXJCFBT-UHFFFAOYSA-N 2 1 364.468 3.862 20 0 FHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000604418433 568276281 /nfs/dbraw/zinc/27/62/81/568276281.db2.gz YWXZXTYDTWURMD-MAUKXSAKSA-N 2 1 369.347 3.676 20 0 FHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000317206974 568501789 /nfs/dbraw/zinc/50/17/89/568501789.db2.gz ZLCMNLFCQBPJQM-CQSZACIVSA-N 2 1 362.315 3.817 20 0 FHADMP